*HEADER SIGNALING PROTEIN 09-APR-09 2KHN *TITLE NMR SOLUTION STRUCTURE OF THE EH 1 DOMAIN FROM HUMAN *TITLE 2 INTERSECTIN-1 PROTEIN. NORTHEAST STRUCTURAL GENOMICS *TITLE 3 CONSORTIUM TARGET HR3646E. *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: INTERSECTIN-1; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: UNP RESIDUES 1-111; *COMPND 5 SYNONYM: SH3 DOMAIN-CONTAINING PROTEIN 1A, SH3P17; *COMPND 6 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 3 ORGANISM_COMMON: HUMAN; *SOURCE 4 ORGANISM_TAXID: 9606; *SOURCE 5 GENE: ITSN1, ITSN, SH3D1A; *SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; *SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; *SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET14-15C *KEYWDS NMR, GFT NMR, HIGH THROUGHPUT, NESGC, HUMAN INTERSECTIN-1, *KEYWDS 2 ALTERNATIVE SPLICING, CALCIUM, CELL JUNCTION, CELL *KEYWDS 3 PROJECTION, COILED COIL, ENDOCYTOSIS, MEMBRANE, *KEYWDS 4 PHOSPHOPROTEIN, SH3 DOMAIN, SYNAPSE, SYNAPTOSOME, SIGNALING *KEYWDS 5 PROTEIN, STRUCTURAL GENOMICS, PSI-2, PROTEIN STRUCTURE *KEYWDS 6 INITIATIVE, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR J.L.MILLS, A.GHOSH, E.GARCIA, Q.ZHANG, R.SHASTRY, E.L.FOOTE, *AUTHOR 2 H.JANJUA, T.B.ACTON, R.XIAO, J.K.EVERETT, G.T.MONTELIONE, *AUTHOR 3 T.SZYPERSKI, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) *REVDAT 1 21-APR-09 2KHN 0 nassign=2500 assign (resid 15 and name HA ) (resid 16 and name HN ) 2.99 2.99 0.00 assign (resid 17 and name HA ) (resid 18 and name HN ) 3.52 3.52 0.00 assign (resid 19 and name HN ) (resid 20 and name HN ) 5.00 5.00 0.00 assign (resid 21 and name HN ) (resid 22 and name HN ) 4.94 4.94 0.00 assign (resid 21 and name HA ) (resid 22 and name HN ) 3.14 3.14 0.00 assign (resid 21 and name HB2 ) (resid 22 and name HN ) 4.60 4.60 0.00 assign (resid 21 and name HB1 ) (resid 22 and name HN ) 4.60 4.60 0.00 assign (resid 22 and name HA ) (resid 23 and name HN ) 3.33 3.33 0.00 assign (resid 22 and name HB2 ) (resid 23 and name HN ) 4.07 4.07 0.00 assign (resid 22 and name HB1 ) (resid 23 and name HN ) 4.07 4.07 0.00 assign (resid 23 and name HN ) (resid 24 and name HN ) 4.07 4.07 0.00 assign (resid 23 and name HA ) (resid 24 and name HN ) 3.17 3.17 0.00 assign (resid 23 and name HB2 ) (resid 24 and name HN ) 5.19 5.19 0.00 assign (resid 23 and name HB1 ) (resid 24 and name HN ) 5.19 5.19 0.00 assign (resid 24 and name HN ) (resid 25 and name HN ) 3.67 3.67 0.00 assign (resid 24 and name HB ) (resid 25 and name HN ) 3.64 3.64 0.00 assign (resid 25 and name HN ) (resid 26 and name HN ) 2.96 2.96 0.00 assign (resid 25 and name HB2 ) (resid 26 and name HN ) 4.82 4.82 0.00 assign (resid 25 and name HB1 ) (resid 26 and name HN ) 3.92 3.92 0.00 assign (resid 26 and name HA ) (resid 27 and name HN ) 2.80 2.80 0.00 assign (resid 27 and name HA ) (resid 28 and name HN ) 3.17 3.17 0.00 assign (resid 27 and name HB ) (resid 28 and name HN ) 4.38 4.38 0.00 assign (resid 28 and name HN ) (resid 29 and name HN ) 4.79 4.79 0.00 assign (resid 30 and name HB2 ) (resid 31 and name HN ) 3.83 3.83 0.00 assign (resid 30 and name HB1 ) (resid 31 and name HN ) 3.83 3.83 0.00 assign (resid 32 and name HN ) (resid 33 and name HN ) 3.39 3.39 0.00 assign (resid 32 and name HB2 ) (resid 33 and name HN ) 3.70 3.70 0.00 assign (resid 32 and name HB1 ) (resid 33 and name HN ) 3.95 3.95 0.00 assign (resid 34 and name HB2 ) (resid 35 and name HN ) 4.20 4.20 0.00 assign (resid 35 and name HB2 ) (resid 36 and name HN ) 3.95 3.95 0.00 assign (resid 35 and name HB1 ) (resid 36 and name HN ) 3.95 3.95 0.00 assign (resid 36 and name HN ) (resid 37 and name HN ) 3.55 3.55 0.00 assign (resid 36 and name HB2 ) (resid 37 and name HN ) 4.17 4.17 0.00 assign (resid 39 and name HN ) (resid 40 and name HN ) 3.79 3.79 0.00 assign (resid 39 and name HB2 ) (resid 40 and name HN ) 3.98 3.98 0.00 assign (resid 39 and name HB1 ) (resid 40 and name HN ) 3.98 3.98 0.00 assign (resid 41 and name HB2 ) (resid 42 and name HN ) 4.45 4.45 0.00 assign (resid 41 and name HB1 ) (resid 42 and name HN ) 4.45 4.45 0.00 assign (resid 42 and name HN ) (resid 43 and name HN ) 3.21 3.21 0.00 assign (resid 42 and name HB2 ) (resid 43 and name HN ) 4.45 4.45 0.00 assign (resid 42 and name HB1 ) (resid 43 and name HN ) 4.35 4.35 0.00 assign (resid 44 and name HA ) (resid 45 and name HN ) 2.90 2.90 0.00 assign (resid 44 and name HB2 ) (resid 45 and name HN ) 3.73 3.73 0.00 assign (resid 44 and name HB1 ) (resid 45 and name HN ) 4.11 4.11 0.00 assign (resid 46 and name HB2 ) (resid 47 and name HN ) 5.50 5.50 0.00 assign (resid 47 and name HN ) (resid 48 and name HN ) 3.27 3.27 0.00 assign (resid 48 and name HA ) (resid 49 and name HN ) 3.11 3.11 0.00 assign (resid 48 and name HB2 ) (resid 49 and name HN ) 4.51 4.51 0.00 assign (resid 48 and name HB1 ) (resid 49 and name HN ) 4.51 4.51 0.00 assign (resid 49 and name HA ) (resid 50 and name HN ) 3.11 3.11 0.00 assign (resid 49 and name HB ) (resid 50 and name HN ) 3.36 3.36 0.00 assign (resid 50 and name HA ) (resid 51 and name HN ) 2.99 2.99 0.00 assign (resid 50 and name HB ) (resid 51 and name HN ) 3.79 3.79 0.00 assign (resid 52 and name HN ) (resid 53 and name HN ) 3.79 3.79 0.00 assign (resid 53 and name HN ) (resid 54 and name HN ) 3.36 3.36 0.00 assign (resid 53 and name HB1 ) (resid 54 and name HN ) 4.11 4.11 0.00 assign (resid 55 and name HN ) (resid 56 and name HN ) 3.42 3.42 0.00 assign (resid 55 and name HB2 ) (resid 56 and name HN ) 4.14 4.14 0.00 assign (resid 55 and name HB1 ) (resid 56 and name HN ) 4.14 4.14 0.00 assign (resid 56 and name HB1 ) (resid 57 and name HN ) 3.86 3.86 0.00 assign (resid 57 and name HN ) (resid 58 and name HN ) 3.27 3.27 0.00 assign (resid 57 and name HB2 ) (resid 58 and name HN ) 4.01 4.01 0.00 assign (resid 57 and name HB1 ) (resid 58 and name HN ) 3.70 3.70 0.00 assign (resid 58 and name HN ) (resid 59 and name HN ) 3.39 3.39 0.00 assign (resid 58 and name HB2 ) (resid 59 and name HN ) 5.50 5.50 0.00 assign (resid 59 and name HB2 ) (resid 60 and name HN ) 4.35 4.35 0.00 assign (resid 59 and name HB1 ) (resid 60 and name HN ) 4.35 4.35 0.00 assign (resid 60 and name HN ) (resid 61 and name HN ) 3.45 3.45 0.00 assign (resid 60 and name HB2 ) (resid 61 and name HN ) 5.28 5.28 0.00 assign (resid 60 and name HB1 ) (resid 61 and name HN ) 5.28 5.28 0.00 assign (resid 61 and name HN ) (resid 62 and name HN ) 3.27 3.27 0.00 assign (resid 61 and name HB2 ) (resid 62 and name HN ) 4.23 4.23 0.00 assign (resid 61 and name HB1 ) (resid 62 and name HN ) 4.23 4.23 0.00 assign (resid 64 and name HA ) (resid 65 and name HN ) 3.21 3.21 0.00 assign (resid 64 and name HB1 ) (resid 65 and name HN ) 4.23 4.23 0.00 assign (resid 66 and name HB2 ) (resid 67 and name HN ) 4.63 4.63 0.00 assign (resid 66 and name HB1 ) (resid 67 and name HN ) 4.63 4.63 0.00 assign (resid 67 and name HB ) (resid 68 and name HN ) 3.48 3.48 0.00 assign (resid 68 and name HN ) (resid 69 and name HN ) 3.27 3.27 0.00 assign (resid 68 and name HB2 ) (resid 69 and name HN ) 3.79 3.79 0.00 assign (resid 68 and name HB1 ) (resid 69 and name HN ) 3.39 3.39 0.00 assign (resid 70 and name HB1 ) (resid 71 and name HN ) 4.23 4.23 0.00 assign (resid 71 and name HN ) (resid 72 and name HN ) 3.30 3.30 0.00 assign (resid 71 and name HB ) (resid 72 and name HN ) 3.33 3.33 0.00 assign (resid 72 and name HN ) (resid 73 and name HN ) 3.11 3.11 0.00 assign (resid 72 and name HB1 ) (resid 73 and name HN ) 3.02 3.02 0.00 assign (resid 74 and name HN ) (resid 75 and name HN ) 2.93 2.93 0.00 assign (resid 74 and name HB2 ) (resid 75 and name HN ) 3.30 3.30 0.00 assign (resid 74 and name HB1 ) (resid 75 and name HN ) 3.48 3.48 0.00 assign (resid 75 and name HN ) (resid 76 and name HN ) 2.99 2.99 0.00 assign (resid 76 and name HA ) (resid 77 and name HN ) 3.02 3.02 0.00 assign (resid 76 and name HB2 ) (resid 77 and name HN ) 5.07 5.07 0.00 assign (resid 76 and name HB1 ) (resid 77 and name HN ) 5.07 5.07 0.00 assign (resid 77 and name HB2 ) (resid 78 and name HN ) 3.64 3.64 0.00 assign (resid 77 and name HB1 ) (resid 78 and name HN ) 3.92 3.92 0.00 assign (resid 78 and name HN ) (resid 79 and name HN ) 3.17 3.17 0.00 assign (resid 79 and name HA ) (resid 80 and name HN ) 2.71 2.71 0.00 assign (resid 79 and name HB2 ) (resid 80 and name HN ) 4.66 4.66 0.00 assign (resid 79 and name HB1 ) (resid 80 and name HN ) 4.66 4.66 0.00 assign (resid 80 and name HB2 ) (resid 81 and name HN ) 5.28 5.28 0.00 assign (resid 80 and name HB1 ) (resid 81 and name HN ) 5.28 5.28 0.00 assign (resid 81 and name HN ) (resid 82 and name HN ) 3.36 3.36 0.00 assign (resid 82 and name HA ) (resid 83 and name HN ) 3.36 3.36 0.00 assign (resid 82 and name HB2 ) (resid 83 and name HN ) 3.67 3.67 0.00 assign (resid 82 and name HB1 ) (resid 83 and name HN ) 3.67 3.67 0.00 assign (resid 83 and name HN ) (resid 84 and name HN ) 4.91 4.91 0.00 assign (resid 83 and name HA ) (resid 84 and name HN ) 2.90 2.90 0.00 assign (resid 83 and name HB2 ) (resid 84 and name HN ) 4.54 4.54 0.00 assign (resid 83 and name HB1 ) (resid 84 and name HN ) 4.54 4.54 0.00 assign (resid 84 and name HA ) (resid 85 and name HN ) 3.42 3.42 0.00 assign (resid 84 and name HB2 ) (resid 85 and name HN ) 3.70 3.70 0.00 assign (resid 84 and name HB1 ) (resid 85 and name HN ) 3.70 3.70 0.00 assign (resid 85 and name HB1 ) (resid 86 and name HN ) 4.63 4.63 0.00 assign (resid 87 and name HN ) (resid 88 and name HN ) 3.70 3.70 0.00 assign (resid 88 and name HN ) (resid 89 and name HN ) 3.86 3.86 0.00 assign (resid 88 and name HA ) (resid 89 and name HN ) 3.48 3.48 0.00 assign (resid 88 and name HB2 ) (resid 89 and name HN ) 4.48 4.48 0.00 assign (resid 88 and name HB1 ) (resid 89 and name HN ) 4.48 4.48 0.00 assign (resid 94 and name HA ) (resid 95 and name HN ) 3.55 3.55 0.00 assign (resid 94 and name HB2 ) (resid 95 and name HN ) 3.55 3.55 0.00 assign (resid 94 and name HB1 ) (resid 95 and name HN ) 3.55 3.55 0.00 assign (resid 95 and name HB ) (resid 96 and name HN ) 3.55 3.55 0.00 assign (resid 96 and name HN ) (resid 97 and name HN ) 4.04 4.04 0.00 assign (resid 97 and name HN ) (resid 98 and name HN ) 3.70 3.70 0.00 assign (resid 98 and name HB2 ) (resid 99 and name HN ) 4.23 4.23 0.00 assign (resid 98 and name HB1 ) (resid 99 and name HN ) 4.23 4.23 0.00 assign (resid 99 and name HB2 ) (resid 100 and name HN ) 4.88 4.88 0.00 assign (resid 99 and name HB1 ) (resid 100 and name HN ) 5.19 5.19 0.00 assign (resid 100 and name HB2 ) (resid 101 and name HN ) 5.50 5.50 0.00 assign (resid 100 and name HB1 ) (resid 101 and name HN ) 5.50 5.50 0.00 assign (resid 101 and name HN ) (resid 102 and name HN ) 3.24 3.24 0.00 assign (resid 102 and name HA ) (resid 103 and name HN ) 3.17 3.17 0.00 assign (resid 102 and name HB2 ) (resid 103 and name HN ) 3.61 3.61 0.00 assign (resid 102 and name HB1 ) (resid 103 and name HN ) 3.61 3.61 0.00 assign (resid 105 and name HA ) (resid 106 and name HN ) 3.02 3.02 0.00 assign (resid 105 and name HB2 ) (resid 106 and name HN ) 3.86 3.86 0.00 assign (resid 106 and name HN ) (resid 107 and name HN ) 3.11 3.11 0.00 assign (resid 106 and name HB2 ) (resid 107 and name HN ) 4.20 4.20 0.00 assign (resid 106 and name HB1 ) (resid 107 and name HN ) 4.20 4.20 0.00 assign (resid 107 and name HA ) (resid 108 and name HN ) 2.96 2.96 0.00 assign (resid 110 and name HB1 ) (resid 111 and name HN ) 4.35 4.35 0.00 assign (resid 111 and name HN ) (resid 112 and name HN ) 3.45 3.45 0.00 assign (resid 111 and name HB ) (resid 112 and name HN ) 3.95 3.95 0.00 assign (resid 113 and name HB2 ) (resid 114 and name HN ) 5.04 5.04 0.00 assign (resid 113 and name HB1 ) (resid 114 and name HN ) 5.04 5.04 0.00 assign (resid 114 and name HN ) (resid 115 and name HN ) 5.25 5.25 0.00 assign (resid 114 and name HA ) (resid 115 and name HN ) 2.96 2.96 0.00 assign (resid 114 and name HB2 ) (resid 115 and name HN ) 3.70 3.70 0.00 assign (resid 114 and name HB1 ) (resid 115 and name HN ) 3.70 3.70 0.00 assign (resid 116 and name HA ) (resid 117 and name HN ) 2.93 2.93 0.00 assign (resid 116 and name HB1 ) (resid 117 and name HN ) 4.54 4.54 0.00 assign (resid 117 and name HA ) (resid 118 and name HN ) 2.74 2.74 0.00 assign (resid 117 and name HB ) (resid 118 and name HN ) 3.64 3.64 0.00 assign (resid 118 and name HN ) (resid 119 and name HN ) 4.04 4.04 0.00 assign (resid 16 and name HN ) (resid 16 and name HB ) 3.92 3.92 0.00 assign (resid 22 and name HN ) (resid 22 and name HB2 ) 3.86 3.86 0.00 assign (resid 22 and name HN ) (resid 22 and name HB1 ) 3.86 3.86 0.00 assign (resid 23 and name HN ) (resid 23 and name HB2 ) 3.70 3.70 0.00 assign (resid 24 and name HN ) (resid 24 and name HB ) 3.58 3.58 0.00 assign (resid 25 and name HN ) (resid 25 and name HB2 ) 3.67 3.67 0.00 assign (resid 25 and name HN ) (resid 25 and name HB1 ) 3.58 3.58 0.00 assign (resid 27 and name HN ) (resid 27 and name HB ) 3.08 3.08 0.00 assign (resid 29 and name HN ) (resid 29 and name HB ) 2.99 2.99 0.00 assign (resid 30 and name HN ) (resid 30 and name HB1 ) 3.39 3.39 0.00 assign (resid 34 and name HN ) (resid 34 and name HB1 ) 3.64 3.64 0.00 assign (resid 36 and name HN ) (resid 36 and name HB2 ) 3.70 3.70 0.00 assign (resid 36 and name HN ) (resid 36 and name HB1 ) 3.70 3.70 0.00 assign (resid 38 and name HN ) (resid 38 and name HB2 ) 3.27 3.27 0.00 assign (resid 38 and name HN ) (resid 38 and name HB1 ) 3.89 3.89 0.00 assign (resid 41 and name HN ) (resid 41 and name HB2 ) 3.48 3.48 0.00 assign (resid 41 and name HN ) (resid 41 and name HB1 ) 3.48 3.48 0.00 assign (resid 42 and name HN ) (resid 42 and name HB2 ) 3.52 3.52 0.00 assign (resid 42 and name HN ) (resid 42 and name HB1 ) 3.58 3.58 0.00 assign (resid 43 and name HN ) (resid 43 and name HA ) 2.65 2.65 0.00 assign (resid 45 and name HN ) (resid 45 and name HB ) 3.21 3.21 0.00 assign (resid 48 and name HN ) (resid 48 and name HB2 ) 3.86 3.86 0.00 assign (resid 48 and name HN ) (resid 48 and name HB1 ) 3.86 3.86 0.00 assign (resid 52 and name HN ) (resid 52 and name HB2 ) 3.48 3.48 0.00 assign (resid 52 and name HN ) (resid 52 and name HB1 ) 3.48 3.48 0.00 assign (resid 55 and name HN ) (resid 55 and name HB2 ) 3.76 3.76 0.00 assign (resid 55 and name HN ) (resid 55 and name HB1 ) 3.76 3.76 0.00 assign (resid 56 and name HN ) (resid 56 and name HB2 ) 2.86 2.86 0.00 assign (resid 57 and name HN ) (resid 57 and name HB2 ) 3.61 3.61 0.00 assign (resid 57 and name HN ) (resid 57 and name HB1 ) 3.61 3.61 0.00 assign (resid 58 and name HN ) (resid 58 and name HB2 ) 4.04 4.04 0.00 assign (resid 58 and name HN ) (resid 58 and name HB1 ) 4.04 4.04 0.00 assign (resid 60 and name HN ) (resid 60 and name HB1 ) 3.89 3.89 0.00 assign (resid 61 and name HN ) (resid 61 and name HB2 ) 3.89 3.89 0.00 assign (resid 61 and name HN ) (resid 61 and name HB1 ) 3.89 3.89 0.00 assign (resid 63 and name HN ) (resid 63 and name HB1 ) 4.04 4.04 0.00 assign (resid 65 and name HN ) (resid 65 and name HB2 ) 3.79 3.79 0.00 assign (resid 65 and name HN ) (resid 65 and name HB1 ) 3.79 3.79 0.00 assign (resid 67 and name HN ) (resid 67 and name HB ) 3.02 3.02 0.00 assign (resid 68 and name HN ) (resid 68 and name HB2 ) 3.55 3.55 0.00 assign (resid 70 and name HN ) (resid 70 and name HB2 ) 3.24 3.24 0.00 assign (resid 70 and name HN ) (resid 70 and name HB1 ) 3.24 3.24 0.00 assign (resid 72 and name HN ) (resid 72 and name HB2 ) 3.27 3.27 0.00 assign (resid 72 and name HN ) (resid 72 and name HB1 ) 3.30 3.30 0.00 assign (resid 74 and name HN ) (resid 74 and name HB2 ) 3.24 3.24 0.00 assign (resid 74 and name HN ) (resid 74 and name HB1 ) 3.45 3.45 0.00 assign (resid 76 and name HN ) (resid 76 and name HB2 ) 3.42 3.42 0.00 assign (resid 76 and name HN ) (resid 76 and name HB1 ) 3.42 3.42 0.00 assign (resid 77 and name HN ) (resid 77 and name HB2 ) 3.64 3.64 0.00 assign (resid 77 and name HN ) (resid 77 and name HB1 ) 3.89 3.89 0.00 assign (resid 78 and name HN ) (resid 78 and name HB2 ) 4.07 4.07 0.00 assign (resid 78 and name HN ) (resid 78 and name HB1 ) 4.07 4.07 0.00 assign (resid 79 and name HN ) (resid 79 and name HA ) 2.77 2.77 0.00 assign (resid 79 and name HN ) (resid 79 and name HB2 ) 3.76 3.76 0.00 assign (resid 79 and name HN ) (resid 79 and name HB1 ) 3.76 3.76 0.00 assign (resid 80 and name HN ) (resid 80 and name HB2 ) 3.83 3.83 0.00 assign (resid 80 and name HN ) (resid 80 and name HB1 ) 3.83 3.83 0.00 assign (resid 83 and name HN ) (resid 83 and name HB2 ) 4.07 4.07 0.00 assign (resid 83 and name HN ) (resid 83 and name HB1 ) 4.07 4.07 0.00 assign (resid 84 and name HN ) (resid 84 and name HB2 ) 3.86 3.86 0.00 assign (resid 84 and name HN ) (resid 84 and name HB1 ) 3.86 3.86 0.00 assign (resid 85 and name HN ) (resid 85 and name HB2 ) 3.86 3.86 0.00 assign (resid 85 and name HN ) (resid 85 and name HB1 ) 3.86 3.86 0.00 assign (resid 86 and name HN ) (resid 86 and name HB ) 3.21 3.21 0.00 assign (resid 88 and name HN ) (resid 88 and name HB2 ) 3.52 3.52 0.00 assign (resid 88 and name HN ) (resid 88 and name HB1 ) 3.52 3.52 0.00 assign (resid 90 and name HN ) (resid 90 and name HB ) 3.83 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HB2 ) 3.83 3.83 0.00 assign (resid 113 and name HN ) (resid 113 and name HB1 ) 3.83 3.83 0.00 assign (resid 114 and name HN ) (resid 114 and name HB2 ) 4.01 4.01 0.00 assign (resid 114 and name HN ) (resid 114 and name HB1 ) 4.01 4.01 0.00 assign (resid 115 and name HN ) (resid 115 and name HB2 ) 3.86 3.86 0.00 assign (resid 115 and name HN ) (resid 115 and name HB1 ) 3.21 3.21 0.00 assign (resid 119 and name HN ) (resid 119 and name HB ) 3.33 3.33 0.00 assign (resid 20 and name HN ) (resid 21 and name HN ) 5.34 5.34 0.00 assign (resid 22 and name HN ) (resid 23 and name HN ) 4.79 4.79 0.00 assign (resid 26 and name HN ) (resid 27 and name HN ) 4.85 4.85 0.00 assign (resid 27 and name HN ) (resid 28 and name HN ) 5.19 5.19 0.00 assign (resid 29 and name HN ) (resid 30 and name HN ) 3.55 3.55 0.00 assign (resid 30 and name HN ) (resid 31 and name HN ) 3.42 3.42 0.00 assign (resid 31 and name HN ) (resid 32 and name HN ) 3.98 3.98 0.00 assign (resid 33 and name HN ) (resid 34 and name HN 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name HN ) (resid 96 and name HN ) 3.61 3.61 0.00 assign (resid 99 and name HN ) (resid 100 and name HN ) 3.36 3.36 0.00 assign (resid 100 and name HN ) (resid 101 and name HN ) 4.32 4.32 0.00 assign (resid 102 and name HN ) (resid 103 and name HN ) 4.54 4.54 0.00 assign (resid 107 and name HN ) (resid 108 and name HN ) 4.48 4.48 0.00 assign (resid 112 and name HN ) (resid 113 and name HN ) 3.27 3.27 0.00 assign (resid 113 and name HN ) (resid 114 and name HN ) 3.14 3.14 0.00 assign (resid 119 and name HN ) (resid 120 and name HN ) 4.45 4.45 0.00 assign (resid 120 and name HN ) (resid 121 and name HN ) 5.19 5.19 0.00 assign (resid 24 and name HN ) (resid 26 and name HN ) 5.50 5.50 0.00 assign (resid 28 and name HN ) (resid 31 and name HN ) 4.82 4.82 0.00 assign (resid 37 and name HN ) (resid 39 and name HN ) 5.07 5.07 0.00 assign (resid 41 and name HN ) (resid 43 and name HN ) 4.57 4.57 0.00 assign (resid 45 and name HN ) (resid 48 and name HN ) 3.70 3.70 0.00 assign (resid 45 and name 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assign (resid 64 and name HB2 ) (resid 66 and name HD2 ) 5.50 5.50 0.00 assign (resid 67 and name HA ) (resid 70 and name HG1 ) 5.50 5.50 0.00 assign (resid 68 and name HB1 ) (resid 71 and name HB ) 5.50 5.50 0.00 assign (resid 72 and name HZ2 ) (resid 81 and name HA1 ) 4.11 4.11 0.00 assign (resid 72 and name HZ2 ) (resid 81 and name HA2 ) 4.88 4.88 0.00 assign (resid 83 and name HB2 ) (resid 87 and name HB2 ) 7.26 7.26 0.00 assign (resid 71 and name HG12 ) (resid 94 and name HB2 ) 5.50 5.50 0.00 assign (resid 71 and name HG12 ) (resid 94 and name HB1 ) 5.50 5.50 0.00 assign (resid 94 and name HG ) (resid 95 and name HA ) 5.50 5.50 0.00 assign (resid 95 and name HA ) (resid 99 and name HG ) 4.69 4.69 0.00 assign (resid 71 and name HG12 ) (resid 95 and name HA ) 5.50 5.50 0.00 assign (resid 97 and name HB2 ) (resid 102 and name HB1 ) 7.20 7.20 0.00 assign (resid 97 and name HB1 ) (resid 102 and name HB2 ) 7.20 7.20 0.00 assign (resid 97 and name HB1 ) (resid 102 and name HB1 ) 7.20 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38 and name HE22 ) 5.50 5.50 0.00 assign (resid 43 and name HN ) (resid 44 and name HG1 ) 5.50 5.50 0.00 assign (resid 113 and name HN ) (resid 114 and name HG1 ) 5.50 5.50 0.00 assign (resid 27 and name HG11 ) (resid 31 and name HB1 ) 5.50 5.50 0.00 assign (resid 39 and name HE1 ) (resid 44 and name HG1 ) 5.50 5.50 0.00 assign (resid 39 and name HE1 ) (resid 49 and name HG11 ) 5.50 5.50 0.00 assign (resid 63 and name HA ) (resid 64 and name HG1 ) 5.50 5.50 0.00 assign (resid 65 and name HB1 ) (resid 66 and name HD2 ) 5.50 5.50 0.00 assign (resid 65 and name HB1 ) (resid 66 and name HD1 ) 5.50 5.50 0.00 assign (resid 67 and name HA ) (resid 98 and name HD2 ) 5.50 5.50 0.00 assign (resid 67 and name HA ) (resid 98 and name HD1 ) 5.50 5.50 0.00 assign (resid 67 and name HA ) (resid 70 and name HG2 ) 5.50 5.50 0.00 assign (resid 71 and name HG12 ) (resid 98 and name HB1 ) 7.26 7.26 0.00 assign (resid 71 and name HG11 ) (resid 98 and name HB1 ) 7.26 7.26 0.00 assign (resid 83 and name HB2 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(resid 27 and name HG12 ) (resid 31 and name HG1 ) 7.26 7.26 0.00 assign (resid 28 and name HB ) (resid 31 and name HB1 ) 5.50 5.50 0.00 assign (resid 28 and name HB ) (resid 31 and name HB2 ) 5.50 5.50 0.00 assign (resid 28 and name HB ) (resid 31 and name HG2 ) 5.50 5.50 0.00 assign (resid 28 and name HB ) (resid 31 and name HG1 ) 5.50 5.50 0.00 assign (resid 27 and name HG11 ) (resid 31 and name HG2 ) 7.26 7.26 0.00 assign (resid 41 and name HA ) (resid 44 and name HD2 ) 5.50 5.50 0.00 assign (resid 41 and name HA ) (resid 44 and name HD1 ) 5.50 5.50 0.00 assign (resid 74 and name HG ) (resid 105 and name HA ) 5.50 5.50 0.00 assign (resid 75 and name HA ) (resid 108 and name HG ) 5.50 5.50 0.00 assign (resid 63 and name HG ) (resid 99 and name HB2 ) 5.50 5.50 0.00 assign (resid 63 and name HG ) (resid 99 and name HA ) 5.50 5.50 0.00 assign (resid 97 and name HB1 ) (resid 102 and name HD* ) 7.63 7.63 0.00 assign (resid 77 and name HN ) (resid 87 and name HG1 ) 5.50 5.50 0.00 assign (resid 39 and name HZ ) (resid 85 and name HN ) 5.50 5.50 0.00 assign (resid 22 and name HA ) (resid 22 and name HD1* ) 5.93 5.93 0.00 assign (resid 22 and name HA ) (resid 22 and name HD2* ) 4.69 4.69 0.00 assign (resid 27 and name HN ) (resid 27 and name HD1* ) 6.52 6.52 0.00 assign (resid 42 and name HA ) (resid 42 and name HD1* ) 4.47 4.47 0.00 assign (resid 42 and name HN ) (resid 42 and name HD2* ) 5.93 5.93 0.00 assign (resid 42 and name HA ) (resid 42 and name HD2* ) 5.90 5.90 0.00 assign (resid 45 and name HN ) (resid 45 and name HD1* ) 6.52 6.52 0.00 assign (resid 49 and name HN ) (resid 49 and name HD1* ) 6.52 6.52 0.00 assign (resid 63 and name HN ) (resid 63 and name HD1* ) 4.88 4.88 0.00 assign (resid 63 and name HA ) (resid 63 and name HD1* ) 6.52 6.52 0.00 assign (resid 63 and name HA ) (resid 63 and name HD2* ) 4.50 4.50 0.00 assign (resid 68 and name HA ) (resid 68 and name HD1* ) 5.37 5.37 0.00 assign (resid 68 and name HA ) (resid 68 and name HD2* ) 4.57 4.57 0.00 assign (resid 74 and name HA ) (resid 74 and name HD1* ) 5.34 5.34 0.00 assign (resid 74 and name HA ) (resid 74 and name HD2* ) 4.32 4.32 0.00 assign (resid 90 and name HN ) (resid 90 and name HD1* ) 6.52 6.52 0.00 assign (resid 94 and name HA ) (resid 94 and name HD1* ) 5.28 5.28 0.00 assign (resid 94 and name HA ) (resid 94 and name HD2* ) 5.28 5.28 0.00 assign (resid 97 and name HN ) (resid 97 and name HD1* ) 6.52 6.52 0.00 assign (resid 97 and name HA ) (resid 97 and name HD1* ) 4.63 4.63 0.00 assign (resid 97 and name HN ) (resid 97 and name HD2* ) 6.15 6.15 0.00 assign (resid 97 and name HA ) (resid 97 and name HD2* ) 5.81 5.81 0.00 assign (resid 99 and name HN ) (resid 99 and name HD1* ) 6.52 6.52 0.00 assign (resid 99 and name HA ) (resid 99 and name HD1* ) 5.22 5.22 0.00 assign (resid 99 and name HN ) (resid 99 and name HD2* ) 6.52 6.52 0.00 assign (resid 99 and name HA ) (resid 99 and name HD2* ) 5.22 5.22 0.00 assign (resid 108 and name HA ) (resid 108 and name HD1* ) 5.71 5.71 0.00 assign (resid 108 and name HA ) (resid 108 and name HD2* ) 6.49 6.49 0.00 assign (resid 119 and name HN ) (resid 119 and name HD1* ) 6.52 6.52 0.00 assign (resid 22 and name HD1* ) (resid 23 and name HN ) 6.52 6.52 0.00 assign (resid 22 and name HD2* ) (resid 23 and name HN ) 6.52 6.52 0.00 assign (resid 24 and name HG2* ) (resid 25 and name HN ) 6.52 6.52 0.00 assign (resid 27 and name HG2* ) (resid 28 and name HN ) 6.52 6.52 0.00 assign (resid 42 and name HD1* ) (resid 43 and name HN ) 6.52 6.52 0.00 assign (resid 42 and name HD2* ) (resid 43 and name HN ) 6.52 6.52 0.00 assign (resid 49 and name HG2* ) (resid 50 and name HN ) 6.52 6.52 0.00 assign (resid 49 and name HD1* ) (resid 50 and name HN ) 6.52 6.52 0.00 assign (resid 68 and name HD1* ) (resid 69 and name HN ) 6.52 6.52 0.00 assign (resid 71 and name HG2* ) (resid 72 and name HN ) 6.52 6.52 0.00 assign (resid 71 and name HD1* ) (resid 72 and name HN ) 6.52 6.52 0.00 assign (resid 86 and name HG1* ) (resid 87 and name HN ) 6.52 6.52 0.00 assign (resid 86 and name HG2* ) (resid 87 and name HN ) 6.52 6.52 0.00 assign (resid 90 and name HG2* ) (resid 91 and name HN ) 6.52 6.52 0.00 assign (resid 90 and name HD1* ) (resid 91 and name HN ) 6.52 6.52 0.00 assign (resid 94 and name HD1* ) (resid 95 and name HN ) 6.52 6.52 0.00 assign (resid 94 and name HD2* ) (resid 95 and name HN ) 6.52 6.52 0.00 assign (resid 95 and name HD1* ) (resid 96 and name HN ) 6.52 6.52 0.00 assign (resid 99 and name HD1* ) (resid 100 and name HN ) 6.52 6.52 0.00 assign (resid 99 and name HD2* ) (resid 100 and name HN ) 6.52 6.52 0.00 assign (resid 117 and name HG1* ) (resid 118 and name HN ) 6.52 6.52 0.00 assign (resid 117 and name HG2* ) (resid 118 and name HN ) 6.52 6.52 0.00 assign (resid 119 and name HG2* ) (resid 120 and name HN ) 6.52 6.52 0.00 assign (resid 25 and name HN ) (resid 26 and name HB* ) 6.52 6.52 0.00 assign (resid 26 and name HB* ) (resid 28 and name HN ) 6.52 6.52 0.00 assign (resid 27 and name HG2* ) (resid 31 and name HN ) 6.52 6.52 0.00 assign (resid 28 and name HG2* ) (resid 30 and name HN ) 6.52 6.52 0.00 assign (resid 30 and name HN ) (resid 33 and name HB* ) 6.52 6.52 0.00 assign (resid 42 and name HD1* ) (resid 57 and name HD1 ) 6.05 6.05 0.00 assign (resid 42 and name HD1* ) (resid 57 and name HN ) 6.52 6.52 0.00 assign (resid 42 and name HD2* ) (resid 57 and name HD1 ) 6.05 6.05 0.00 assign (resid 43 and name HN ) (resid 49 and name HG2* ) 6.52 6.52 0.00 assign (resid 63 and name HD1* ) (resid 99 and name HN ) 6.18 6.18 0.00 assign (resid 63 and name HD2* ) (resid 98 and name HN ) 6.52 6.52 0.00 assign (resid 59 and name HD1 ) (resid 68 and name HD2* ) 6.52 6.52 0.00 assign (resid 71 and name HG2* ) (resid 95 and name HN ) 6.12 6.12 0.00 assign (resid 71 and name HG2* ) (resid 75 and name HN ) 6.52 6.52 0.00 assign (resid 71 and name HD1* ) (resid 95 and name HN ) 6.43 6.43 0.00 assign (resid 71 and name HD1* ) (resid 98 and name HN ) 6.52 6.52 0.00 assign (resid 73 and name HB* ) (resid 75 and name HN ) 6.52 6.52 0.00 assign (resid 72 and name HN ) (resid 73 and name HB* ) 6.52 6.52 0.00 assign (resid 75 and name HB* ) (resid 91 and name HN ) 6.43 6.43 0.00 assign (resid 77 and name HE* ) (resid 87 and name HN ) 6.52 6.52 0.00 assign (resid 72 and name HZ2 ) (resid 83 and name HE* ) 6.52 6.52 0.00 assign (resid 72 and name HD1 ) (resid 83 and name HE* ) 5.77 5.77 0.00 assign (resid 73 and name HN ) (resid 83 and name HE* ) 6.52 6.52 0.00 assign (resid 83 and name HE* ) (resid 91 and name HN ) 6.52 6.52 0.00 assign (resid 72 and name HN ) (resid 83 and name HE* ) 6.52 6.52 0.00 assign (resid 117 and name HN ) (resid 118 and name HB* ) 6.52 6.52 0.00 assign (resid 58 and name HD1 ) (resid 95 and name HG2* ) 6.52 6.52 0.00 assign (resid 95 and name HG2* ) (resid 98 and name HN ) 6.52 6.52 0.00 assign (resid 58 and name HD1 ) (resid 95 and name HD1* ) 5.22 5.22 0.00 assign (resid 63 and name HN ) (resid 99 and name HD1* ) 6.52 6.52 0.00 assign (resid 63 and name HN ) (resid 99 and name HD2* ) 6.52 6.52 0.00 assign (resid 108 and name HD1* ) (resid 112 and name HN ) 6.52 6.52 0.00 assign (resid 27 and name HN ) (resid 111 and name HG1* ) 6.52 6.52 0.00 assign (resid 111 and name HG1* ) (resid 113 and name HN ) 6.52 6.52 0.00 assign (resid 27 and name HN ) (resid 111 and name HG2* ) 6.52 6.52 0.00 assign (resid 16 and name HG2* ) (resid 17 and name HD1 ) 6.46 6.46 0.00 assign (resid 16 and name HG2* ) (resid 17 and name HD2 ) 6.46 6.46 0.00 assign (resid 23 and name HB1 ) (resid 26 and name HB* ) 6.52 6.52 0.00 assign (resid 24 and name HG2* ) (resid 97 and name HD1* ) 6.70 6.70 0.00 assign (resid 24 and name HG2* ) (resid 25 and name HA ) 6.52 6.52 0.00 assign (resid 25 and name HD1 ) (resid 111 and name HG2* ) 6.52 6.52 0.00 assign (resid 24 and name HG2* ) (resid 25 and name HD1 ) 6.52 6.52 0.00 assign (resid 25 and name HZ3 ) (resid 97 and name HD2* ) 6.52 6.52 0.00 assign (resid 25 and name HZ2 ) (resid 97 and name HD1* ) 6.52 6.52 0.00 assign (resid 25 and name HH2 ) (resid 94 and name HD1* ) 6.52 6.52 0.00 assign (resid 25 and name HH2 ) (resid 97 and name HD1* ) 6.52 6.52 0.00 assign (resid 26 and name HA ) (resid 111 and name HG1* ) 6.43 6.43 0.00 assign (resid 26 and name HA ) (resid 111 and name HG2* ) 6.33 6.33 0.00 assign (resid 23 and name HA ) (resid 26 and name HB* ) 6.36 6.36 0.00 assign (resid 23 and name HB2 ) (resid 26 and name HB* ) 6.52 6.52 0.00 assign (resid 26 and name HB* ) (resid 111 and name HB ) 6.52 6.52 0.00 assign (resid 27 and name HG2* ) (resid 31 and name HB2 ) 6.43 6.43 0.00 assign (resid 27 and name HG2* ) (resid 31 and name HG2 ) 6.52 6.52 0.00 assign (resid 27 and name HG2* ) (resid 31 and name HG1 ) 6.52 6.52 0.00 assign (resid 27 and name HG2* ) (resid 29 and name HA ) 6.52 6.52 0.00 assign (resid 27 and name HG2* ) (resid 32 and name HB2 ) 6.52 6.52 0.00 assign (resid 30 and name HA ) (resid 33 and name HB* ) 4.57 4.57 0.00 assign (resid 30 and name HG2 ) (resid 33 and name 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(resid 46 and name HA ) 6.33 6.33 0.00 assign (resid 45 and name HG2* ) (resid 46 and name HB2 ) 6.21 6.21 0.00 assign (resid 45 and name HG2* ) (resid 46 and name HB1 ) 6.21 6.21 0.00 assign (resid 42 and name HD1* ) (resid 49 and name HB ) 5.56 5.56 0.00 assign (resid 42 and name HD1* ) (resid 49 and name HG2* ) 6.76 6.76 0.00 assign (resid 44 and name HG1 ) (resid 49 and name HG2* ) 6.52 6.52 0.00 assign (resid 44 and name HA ) (resid 49 and name HG2* ) 5.00 5.00 0.00 assign (resid 42 and name HD1* ) (resid 49 and name HG12 ) 5.65 5.65 0.00 assign (resid 42 and name HD1* ) (resid 49 and name HG11 ) 5.65 5.65 0.00 assign (resid 50 and name HG2* ) (resid 52 and name HB2 ) 6.52 6.52 0.00 assign (resid 42 and name HD1* ) (resid 53 and name HB1 ) 6.52 6.52 0.00 assign (resid 42 and name HD1* ) (resid 53 and name HB2 ) 6.52 6.52 0.00 assign (resid 42 and name HD1* ) (resid 54 and name HA ) 5.34 5.34 0.00 assign (resid 42 and name HD2* ) (resid 54 and name HA ) 6.52 6.52 0.00 assign (resid 42 and name HD1* ) (resid 54 and name HB* ) 7.54 7.54 0.00 assign (resid 42 and name HD2* ) (resid 57 and name HB2 ) 6.52 6.52 0.00 assign (resid 42 and name HD2* ) (resid 57 and name HB1 ) 6.52 6.52 0.00 assign (resid 42 and name HD1* ) (resid 57 and name HE1 ) 6.52 6.52 0.00 assign (resid 58 and name HB1 ) (resid 95 and name HD1* ) 6.52 6.52 0.00 assign (resid 54 and name HB* ) (resid 58 and name HD1 ) 6.08 6.08 0.00 assign (resid 59 and name HA ) (resid 68 and name HD1* ) 4.69 4.69 0.00 assign (resid 59 and name HD1 ) (resid 68 and name HD1* ) 5.37 5.37 0.00 assign (resid 64 and name HD2 ) (resid 67 and name HG2* ) 6.30 6.30 0.00 assign (resid 64 and name HD2 ) (resid 67 and name HG1* ) 6.52 6.52 0.00 assign (resid 64 and name HD1 ) (resid 67 and name HG1* ) 6.52 6.52 0.00 assign (resid 64 and name HB1 ) (resid 67 and name HG2* ) 5.53 5.53 0.00 assign (resid 64 and name HB2 ) (resid 67 and name HG2* ) 6.15 6.15 0.00 assign (resid 70 and name HG2 ) (resid 74 and name HD1* ) 6.33 6.33 0.00 assign (resid 64 and name HB2 ) (resid 67 and name HG1* ) 6.52 6.52 0.00 assign (resid 63 and name HD2* ) (resid 99 and name HA ) 6.52 6.52 0.00 assign (resid 63 and name HD2* ) (resid 64 and name HD2 ) 5.43 5.43 0.00 assign (resid 63 and name HD2* ) (resid 64 and name HD1 ) 5.43 5.43 0.00 assign (resid 63 and name HD2* ) (resid 98 and name HB2 ) 6.05 6.05 0.00 assign (resid 63 and name HD2* ) (resid 98 and name HB1 ) 6.05 6.05 0.00 assign (resid 63 and name HD1* ) (resid 98 and name HB2 ) 6.52 6.52 0.00 assign (resid 65 and name HA ) (resid 68 and name HD1* ) 6.21 6.21 0.00 assign (resid 70 and name HG1 ) (resid 74 and name HD1* ) 6.33 6.33 0.00 assign (resid 66 and name HA ) (resid 69 and name HB* ) 5.43 5.43 0.00 assign (resid 63 and name HD2* ) (resid 67 and name HA ) 6.52 6.52 0.00 assign (resid 64 and name HD1 ) (resid 67 and name HG2* ) 6.30 6.30 0.00 assign (resid 64 and name HG2 ) (resid 67 and name HG2* ) 5.71 5.71 0.00 assign (resid 67 and name HG2* ) (resid 71 and name HD1* ) 7.54 7.54 0.00 assign (resid 68 and name HA ) (resid 71 and name HD1* ) 5.13 5.13 0.00 assign (resid 59 and name HA ) (resid 68 and name HD2* ) 6.52 6.52 0.00 assign (resid 58 and name HA ) (resid 68 and name HD2* ) 6.52 6.52 0.00 assign (resid 58 and name HB2 ) (resid 68 and name HD2* ) 6.18 6.18 0.00 assign (resid 58 and name HB1 ) (resid 68 and name HD2* ) 6.18 6.18 0.00 assign (resid 68 and name HD2* ) (resid 71 and name HB ) 6.24 6.24 0.00 assign (resid 68 and name HD2* ) (resid 71 and name HD1* ) 7.54 7.54 0.00 assign (resid 69 and name HB* ) (resid 72 and name HB1 ) 6.52 6.52 0.00 assign (resid 65 and name HG2 ) (resid 69 and name HB* ) 6.52 6.52 0.00 assign (resid 65 and name HG1 ) (resid 69 and name HB* ) 6.52 6.52 0.00 assign (resid 63 and name HD1* ) (resid 95 and name HA ) 6.52 6.52 0.00 assign (resid 70 and name HB2 ) (resid 74 and name HD1* ) 6.05 6.05 0.00 assign (resid 70 and name HB1 ) (resid 74 and name HD1* ) 6.05 6.05 0.00 assign (resid 68 and name HA ) (resid 71 and name HG2* ) 6.52 6.52 0.00 assign (resid 71 and name HG2* ) (resid 94 and name HB2 ) 5.90 5.90 0.00 assign (resid 71 and name HG2* ) (resid 83 and name HE* ) 7.54 7.54 0.00 assign (resid 71 and name HG2* ) (resid 94 and name HB1 ) 5.90 5.90 0.00 assign (resid 71 and name HD1* ) (resid 95 and name HA ) 5.13 5.13 0.00 assign (resid 67 and name HG1* ) (resid 71 and name HD1* ) 7.11 7.11 0.00 assign (resid 63 and name HD1* ) (resid 71 and name HD1* ) 7.01 7.01 0.00 assign (resid 72 and name HA ) (resid 83 and name HE* ) 5.90 5.90 0.00 assign (resid 72 and name HA ) (resid 75 and name HB* ) 6.15 6.15 0.00 assign (resid 71 and name HG2* ) (resid 72 and name HA ) 6.52 6.52 0.00 assign (resid 54 and name HB* ) (resid 72 and name HZ3 ) 6.43 6.43 0.00 assign (resid 72 and name HZ3 ) (resid 73 and name HB* ) 6.52 6.52 0.00 assign (resid 70 and name HA ) (resid 73 and name HB* ) 4.44 4.44 0.00 assign (resid 72 and name HB1 ) (resid 73 and name HB* ) 6.52 6.52 0.00 assign (resid 70 and name HG1 ) (resid 73 and name HB* ) 6.52 6.52 0.00 assign (resid 73 and name HB* ) (resid 74 and name HD2* ) 7.54 7.54 0.00 assign (resid 73 and name HB* ) (resid 74 and name HA ) 6.52 6.52 0.00 assign (resid 74 and name HD2* ) (resid 106 and name HA ) 6.46 6.46 0.00 assign (resid 74 and name HD2* ) (resid 107 and name HA ) 4.72 4.72 0.00 assign (resid 74 and name HD2* ) (resid 108 and name HG ) 5.43 5.43 0.00 assign (resid 74 and name HD2* ) (resid 108 and name HB1 ) 6.52 6.52 0.00 assign (resid 74 and name HD2* ) (resid 107 and name HB* ) 7.54 7.54 0.00 assign (resid 71 and name HA ) (resid 75 and name HB* ) 5.93 5.93 0.00 assign (resid 75 and name HB* ) (resid 90 and name HB ) 6.52 6.52 0.00 assign (resid 74 and name HB2 ) (resid 75 and name HB* ) 6.52 6.52 0.00 assign (resid 75 and name HB* ) (resid 90 and name HG2* ) 6.17 6.17 0.00 assign (resid 71 and name HG2* ) (resid 75 and name HB* ) 7.54 7.54 0.00 assign (resid 74 and name HD2* ) (resid 108 and name HA ) 5.77 5.77 0.00 assign (resid 77 and name HG1 ) (resid 90 and name HD1* ) 6.52 6.52 0.00 assign (resid 77 and name HE* ) (resid 87 and name HG2 ) 5.40 5.40 0.00 assign (resid 77 and name HE* ) (resid 87 and name HA ) 5.34 5.34 0.00 assign (resid 75 and name HA ) (resid 77 and name HE* ) 6.52 6.52 0.00 assign (resid 77 and name HE* ) (resid 113 and name HA ) 6.18 6.18 0.00 assign (resid 77 and name HE* ) (resid 90 and name HG2* ) 6.58 6.58 0.00 assign (resid 83 and name HA ) (resid 83 and name HE* ) 6.52 6.52 0.00 assign (resid 83 and name HB2 ) (resid 83 and name HE* ) 6.27 6.27 0.00 assign (resid 75 and name HB* ) (resid 83 and name HB2 ) 6.52 6.52 0.00 assign (resid 83 and name HB1 ) (resid 83 and name HE* ) 6.27 6.27 0.00 assign (resid 75 and name HB* ) (resid 83 and name HB1 ) 6.52 6.52 0.00 assign (resid 72 and name HB1 ) (resid 83 and name HE* ) 6.52 6.52 0.00 assign (resid 76 and name HA ) (resid 83 and name HE* ) 6.33 6.33 0.00 assign (resid 75 and name HB* ) (resid 83 and name HE* ) 5.80 5.80 0.00 assign (resid 84 and name HB2 ) (resid 86 and name HG1* ) 8.28 8.28 0.00 assign (resid 83 and name HE* ) (resid 88 and name HA ) 6.36 6.36 0.00 assign (resid 88 and name HA ) (resid 90 and name HG2* ) 5.37 5.37 0.00 assign (resid 75 and name HA ) (resid 90 and name HG2* ) 4.91 4.91 0.00 assign (resid 90 and name HG2* ) (resid 112 and name HE* ) 7.13 7.13 0.00 assign (resid 83 and name HE* ) (resid 90 and name HG2* ) 7.54 7.54 0.00 assign (resid 87 and name HA ) (resid 90 and name HD1* ) 6.46 6.46 0.00 assign (resid 75 and name HA ) (resid 90 and name HD1* ) 6.52 6.52 0.00 assign (resid 90 and name HD1* ) (resid 113 and name HA ) 5.03 5.03 0.00 assign (resid 77 and name HB2 ) (resid 90 and name HD1* ) 6.52 6.52 0.00 assign (resid 75 and name HB* ) (resid 90 and name HD1* ) 7.54 7.54 0.00 assign (resid 94 and name HA ) (resid 97 and name HD2* ) 5.99 5.99 0.00 assign (resid 71 and name HG2* ) (resid 94 and name HG ) 5.40 5.40 0.00 assign (resid 71 and name HA ) (resid 94 and name HD1* ) 6.52 6.52 0.00 assign (resid 71 and name HD1* ) (resid 95 and name HB ) 5.50 5.50 0.00 assign (resid 61 and name HB1 ) (resid 95 and name HG2* ) 5.65 5.65 0.00 assign (resid 61 and name HB2 ) (resid 95 and name HG2* ) 5.65 5.65 0.00 assign (resid 57 and name HB1 ) (resid 95 and name HG2* ) 6.52 6.52 0.00 assign (resid 58 and name HB2 ) (resid 95 and name HD1* ) 6.52 6.52 0.00 assign (resid 58 and name HA ) (resid 95 and name HD1* ) 5.87 5.87 0.00 assign (resid 95 and name HG2* ) (resid 96 and name HA ) 5.46 5.46 0.00 assign (resid 97 and name HD1* ) (resid 100 and name HB2 ) 6.52 6.52 0.00 assign (resid 63 and name HD1* ) (resid 98 and name HB1 ) 6.52 6.52 0.00 assign (resid 71 and name HD1* ) (resid 98 and name HB1 ) 6.52 6.52 0.00 assign (resid 63 and name HD2* ) (resid 98 and name HG2 ) 6.52 6.52 0.00 assign (resid 67 and name HG1* ) (resid 98 and name HG2 ) 6.52 6.52 0.00 assign (resid 61 and name HB1 ) (resid 99 and name HD1* ) 8.28 8.28 0.00 assign (resid 61 and name HB1 ) (resid 99 and name HD2* ) 8.28 8.28 0.00 assign (resid 67 and name HG2* ) (resid 98 and name HE2 ) 6.30 6.30 0.00 assign (resid 67 and name HG1* ) (resid 98 and name HE2 ) 5.65 5.65 0.00 assign (resid 63 and name HD2* ) (resid 98 and name HE2 ) 5.90 5.90 0.00 assign (resid 67 and name HG1* ) (resid 98 and name HE1 ) 5.65 5.65 0.00 assign (resid 63 and name HD2* ) (resid 98 and name HE1 ) 5.90 5.90 0.00 assign (resid 97 and name HD1* ) (resid 102 and name HD* ) 8.24 8.24 0.00 assign (resid 24 and name HG2* ) (resid 102 and name HE* ) 8.65 8.65 0.00 assign (resid 97 and name HD1* ) (resid 102 and name HE* ) 8.53 8.53 0.00 assign (resid 74 and name HD2* ) (resid 108 and name HB2 ) 6.52 6.52 0.00 assign (resid 25 and name HB1 ) (resid 111 and name HG1* ) 6.52 6.52 0.00 assign (resid 26 and name HB* ) (resid 111 and name HG2* ) 7.54 7.54 0.00 assign (resid 26 and name HB* ) (resid 111 and name HG1* ) 6.45 6.45 0.00 assign (resid 25 and name HB1 ) (resid 111 and name HG2* ) 5.06 5.06 0.00 assign (resid 25 and name HB2 ) (resid 111 and name HG2* ) 5.87 5.87 0.00 assign (resid 111 and name HG2* ) (resid 112 and name HA ) 6.43 6.43 0.00 assign (resid 90 and name HD1* ) (resid 112 and name HB2 ) 6.52 6.52 0.00 assign (resid 90 and name HD1* ) (resid 112 and name HG2 ) 6.52 6.52 0.00 assign (resid 90 and name HD1* ) (resid 112 and name HG1 ) 6.52 6.52 0.00 assign (resid 90 and name HD1* ) (resid 113 and name HG2 ) 6.52 6.52 0.00 assign (resid 90 and name HD1* ) (resid 113 and name HD2 ) 6.52 6.52 0.00 assign (resid 111 and name HG1* ) (resid 114 and name HG2 ) 6.52 6.52 0.00 assign (resid 24 and name HG2* ) (resid 102 and name HD* ) 8.65 8.65 0.00 assign (resid 42 and name HN ) (resid 49 and name HG2* ) 6.52 6.52 0.00 assign (resid 63 and name HD2* ) (resid 99 and name HN ) 6.52 6.52 0.00 assign (resid 63 and name HN ) (resid 68 and name HD2* ) 6.52 6.52 0.00 assign (resid 83 and name HE* ) (resid 88 and name HN ) 6.52 6.52 0.00 assign (resid 95 and name HG2* ) (resid 99 and name HN ) 6.52 6.52 0.00 assign (resid 97 and name HD2* ) (resid 102 and name HD* ) 8.65 8.65 0.00 assign (resid 97 and name HD2* ) (resid 102 and name HE* ) 8.65 8.65 0.00 assign (resid 111 and name HG2* ) (resid 113 and name HN ) 6.52 6.52 0.00 assign (resid 111 and name HG2* ) (resid 114 and name HN ) 6.52 6.52 0.00 assign (resid 24 and name HG2* ) (resid 97 and name HD2* ) 7.54 7.54 0.00 assign (resid 25 and name HZ2 ) (resid 97 and name HD2* ) 6.52 6.52 0.00 assign (resid 25 and name HH2 ) (resid 94 and name HD2* ) 6.52 6.52 0.00 assign (resid 25 and name HH2 ) (resid 97 and name HD2* ) 6.52 6.52 0.00 assign (resid 27 and name HG2* ) (resid 31 and name HB1 ) 6.43 6.43 0.00 assign (resid 27 and name HD1* ) (resid 31 and name HB2 ) 6.52 6.52 0.00 assign (resid 27 and name HD1* ) (resid 31 and name HB1 ) 6.52 6.52 0.00 assign (resid 30 and name HG1 ) (resid 33 and name HB* ) 6.52 6.52 0.00 assign (resid 39 and name HE1 ) (resid 49 and name HD1* ) 6.52 6.52 0.00 assign (resid 39 and name HZ ) (resid 49 and name HD1* ) 6.52 6.52 0.00 assign (resid 44 and name HB1 ) (resid 49 and name HD1* ) 6.52 6.52 0.00 assign (resid 42 and name HD1* ) (resid 49 and name HD1* ) 7.54 7.54 0.00 assign (resid 50 and name HG2* ) (resid 52 and name HB1 ) 6.52 6.52 0.00 assign (resid 54 and name HB* ) (resid 55 and name HA ) 6.52 6.52 0.00 assign (resid 63 and name HD2* ) (resid 67 and name HB ) 6.52 6.52 0.00 assign (resid 70 and name HA ) (resid 74 and name HD1* ) 6.18 6.18 0.00 assign (resid 67 and name HA ) (resid 69 and name HB* ) 6.52 6.52 0.00 assign (resid 67 and name HG2* ) (resid 98 and name HE1 ) 6.30 6.30 0.00 assign (resid 64 and name HG1 ) (resid 67 and name HG2* ) 5.71 5.71 0.00 assign (resid 67 and name HG1* ) (resid 98 and name HD2 ) 6.52 6.52 0.00 assign (resid 63 and name HA ) (resid 68 and name HD2* ) 6.52 6.52 0.00 assign (resid 71 and name HD1* ) (resid 98 and name HB2 ) 6.52 6.52 0.00 assign (resid 68 and name HB1 ) (resid 71 and name HD1* ) 6.52 6.52 0.00 assign (resid 68 and name HG ) (resid 71 and name HD1* ) 6.52 6.52 0.00 assign (resid 71 and name HD1* ) (resid 98 and name HD2 ) 6.52 6.52 0.00 assign (resid 71 and name HD1* ) (resid 98 and name HD1 ) 6.52 6.52 0.00 assign (resid 73 and name HB* ) (resid 74 and name HD1* ) 7.54 7.54 0.00 assign (resid 77 and name HG2 ) (resid 90 and name HD1* ) 6.52 6.52 0.00 assign (resid 77 and name HE* ) (resid 87 and name HG1 ) 5.40 5.40 0.00 assign (resid 77 and name HE* ) (resid 90 and name HD1* ) 6.64 6.64 0.00 assign (resid 84 and name HB2 ) (resid 86 and name HG2* ) 8.28 8.28 0.00 assign (resid 90 and name HD1* ) (resid 112 and name HB1 ) 6.52 6.52 0.00 assign (resid 71 and name HA ) (resid 94 and name HD2* ) 6.52 6.52 0.00 assign (resid 95 and name HG2* ) (resid 99 and name HB2 ) 6.52 6.52 0.00 assign (resid 97 and name HD1* ) (resid 100 and name HB1 ) 6.52 6.52 0.00 assign (resid 63 and name HD2* ) (resid 98 and name HG1 ) 6.52 6.52 0.00 assign (resid 67 and name HG1* ) (resid 98 and name HG1 ) 6.52 6.52 0.00 assign (resid 67 and name HG1* ) (resid 98 and name HD1 ) 6.52 6.52 0.00 assign (resid 63 and name HD2* ) (resid 98 and name HD2 ) 6.52 6.52 0.00 assign (resid 63 and name HD2* ) (resid 98 and name HD1 ) 6.52 6.52 0.00 assign (resid 108 and name HD2* ) (resid 112 and name HB2 ) 6.52 6.52 0.00 assign (resid 108 and name HD2* ) (resid 112 and name HB1 ) 6.52 6.52 0.00 assign (resid 108 and name HD2* ) (resid 112 and name HG2 ) 6.52 6.52 0.00 assign (resid 111 and name HG2* ) (resid 112 and name HG2 ) 6.52 6.52 0.00 assign (resid 108 and name HD2* ) (resid 112 and name HG1 ) 6.52 6.52 0.00 assign (resid 111 and name HG2* ) (resid 112 and name HG1 ) 6.52 6.52 0.00 assign (resid 90 and name HD1* ) (resid 113 and name HG1 ) 6.52 6.52 0.00 assign (resid 90 and name HD1* ) (resid 113 and name HD1 ) 6.52 6.52 0.00 assign (resid 111 and name HG1* ) (resid 114 and name HG1 ) 6.52 6.52 0.00 assign (resid 117 and name HA ) (resid 118 and name HB* ) 6.52 6.52 0.00 assign (resid 33 and name HB* ) (resid 36 and name HB1 ) 6.52 6.52 0.00 assign (resid 33 and name HB* ) (resid 36 and name HB2 ) 6.52 6.52 0.00 assign (resid 90 and name HA ) (resid 112 and name HE* ) 6.52 6.52 0.00 assign (resid 90 and name HB ) (resid 112 and name HE* ) 6.52 6.52 0.00 assign (resid 97 and name HD2* ) (resid 112 and name HE* ) 7.54 7.54 0.00 assign (resid 112 and name HA ) (resid 112 and name HE* ) 6.52 6.52 0.00 assign (resid 112 and name HB2 ) (resid 112 and name HE* ) 6.52 6.52 0.00 assign (resid 112 and name HB1 ) (resid 112 and name HE* ) 6.52 6.52 0.00 assign (resid 27 and name HG2* ) (resid 112 and name HE* ) 7.54 7.54 0.00 assign (resid 27 and name HD1* ) (resid 112 and name HE* ) 7.54 7.54 0.00 assign (resid 31 and name HB2 ) (resid 112 and name HE* ) 6.52 6.52 0.00 assign (resid 31 and name HB1 ) (resid 112 and name HE* ) 6.52 6.52 0.00 assign (resid 26 and name HB* ) (resid 28 and name HA ) 6.52 6.52 0.00 assign (resid 26 and name HB* ) (resid 28 and name HB ) 6.52 6.52 0.00 assign (resid 27 and name HG2* ) (resid 90 and name HA ) 6.52 6.52 0.00 assign (resid 67 and name HG1* ) (resid 70 and name HN ) 6.52 6.52 0.00 assign (resid 69 and name HB* ) (resid 71 and name HN ) 6.52 6.52 0.00 assign (resid 71 and name HG2* ) (resid 74 and name HN ) 6.52 6.52 0.00 assign (resid 73 and name HA ) (resid 75 and name HB* ) 6.52 6.52 0.00 assign (resid 71 and name HN ) (resid 73 and name HB* ) 6.52 6.52 0.00 assign (resid 70 and name HG2 ) (resid 73 and name HB* ) 6.52 6.52 0.00 assign (resid 75 and name HA ) (resid 83 and name HE* ) 6.52 6.52 0.00 assign (resid 71 and name HA ) (resid 74 and name HD2* ) 6.52 6.52 0.00 assign (resid 88 and name HN ) (resid 91 and name HB* ) 6.52 6.52 0.00 assign (resid 97 and name HD2* ) (resid 102 and name HB2 ) 6.52 6.52 0.00 assign (resid 97 and name HD1* ) (resid 102 and name HB2 ) 6.52 6.52 0.00 assign (resid 97 and name HD1* ) (resid 102 and name HB1 ) 6.52 6.52 0.00 assign (resid 97 and name HD2* ) (resid 102 and name HB1 ) 6.52 6.52 0.00 assign (resid 58 and name HA ) (resid 95 and name HG2* ) 6.52 6.52 0.00 assign (resid 86 and name HG1* ) (resid 89 and name HN ) 6.52 6.52 0.00 assign (resid 27 and name HD1* ) (resid 90 and name HN ) 6.52 6.52 0.00 assign (resid 27 and name HD1* ) (resid 90 and name HA ) 6.52 6.52 0.00 assign (resid 39 and name HA ) (resid 42 and name HD1* ) 6.52 6.52 0.00 assign (resid 54 and name HB* ) (resid 72 and name HH2 ) 6.52 6.52 0.00 assign (resid 15 and name HD* ) (resid 16 and name HN ) 5.50 5.50 0.00 assign (resid 16 and name HB ) (resid 17 and name HD* ) 4.29 4.29 0.00 assign (resid 16 and name HG2* ) (resid 17 and name HD* ) 6.21 6.21 0.00 assign (resid 17 and name HG* ) (resid 18 and name HD1 ) 6.39 6.39 0.00 assign (resid 18 and name HN ) (resid 18 and name HB* ) 3.89 3.89 0.00 assign (resid 22 and name HN ) (resid 22 and name HB* ) 3.50 3.50 0.00 assign (resid 23 and name HB* ) (resid 26 and name HN ) 5.02 5.02 0.00 assign (resid 25 and name HZ3 ) (resid 94 and name HD* ) 6.98 6.98 0.00 assign (resid 25 and name HZ2 ) (resid 102 and name HB* ) 6.38 6.38 0.00 assign (resid 25 and name HH2 ) (resid 102 and name HB* ) 6.38 6.38 0.00 assign (resid 27 and name HN ) (resid 27 and name HG1* ) 4.27 4.27 0.00 assign (resid 27 and name HN ) (resid 31 and name HG* ) 6.38 6.38 0.00 assign (resid 27 and name HA ) (resid 31 and name HG* ) 6.38 6.38 0.00 assign (resid 27 and name HG2* ) (resid 31 and name HB* ) 6.26 6.26 0.00 assign (resid 27 and name HG1* ) (resid 31 and name HG* ) 6.32 6.32 0.00 assign (resid 27 and name HG12 ) (resid 31 and name HG2 ) 7.26 7.26 0.00 assign (resid 27 and name HG11 ) (resid 31 and name HG1 ) 7.26 7.26 0.00 assign (resid 27 and name HD1* ) (resid 31 and name HG* ) 7.40 7.40 0.00 assign (resid 27 and name HD1* ) (resid 90 and name HG1* ) 7.40 7.40 0.00 assign (resid 28 and name HN ) (resid 31 and name HB* ) 4.28 4.28 0.00 assign (resid 28 and name HN ) (resid 31 and name HG* ) 4.89 4.89 0.00 assign (resid 28 and name HB ) (resid 30 and name HB* ) 6.38 6.38 0.00 assign (resid 28 and name HG2* ) (resid 31 and name HG* ) 7.40 7.40 0.00 assign (resid 29 and name HG* ) (resid 30 and name HN ) 8.07 8.07 0.00 assign (resid 29 and name HG* ) (resid 30 and name HA ) 8.07 8.07 0.00 assign (resid 29 and name HG* ) (resid 30 and name HG* ) 8.95 8.95 0.00 assign (resid 29 and name HG* ) (resid 33 and name HB* ) 8.78 8.78 0.00 assign (resid 30 and name HN ) (resid 30 and name HB* ) 3.16 3.16 0.00 assign (resid 30 and name HN ) (resid 30 and name HG* ) 5.17 5.17 0.00 assign (resid 30 and name HG* ) (resid 31 and name HN ) 5.08 5.08 0.00 assign (resid 31 and name HN ) (resid 31 and name HG* ) 4.74 4.74 0.00 assign (resid 31 and name HA ) (resid 34 and name HB* ) 4.92 4.92 0.00 assign (resid 31 and name HG* ) (resid 32 and name HN ) 4.95 4.95 0.00 assign (resid 33 and name HA ) (resid 36 and name HB* ) 4.04 4.04 0.00 assign (resid 34 and name HN ) (resid 34 and name HB* ) 3.38 3.38 0.00 assign (resid 34 and name HN ) (resid 34 and name HG* ) 5.27 5.27 0.00 assign (resid 34 and name HA ) (resid 34 and name HD* ) 5.37 5.37 0.00 assign (resid 34 and name HB* ) (resid 34 and name HE* ) 6.32 6.32 0.00 assign (resid 34 and name HB2 ) (resid 34 and name HE2 ) 7.26 7.26 0.00 assign (resid 34 and name HB2 ) (resid 34 and name HE1 ) 7.26 7.26 0.00 assign (resid 34 and name HB* ) (resid 35 and name HN ) 3.98 3.98 0.00 assign (resid 36 and name HN ) (resid 36 and name HB* ) 3.47 3.47 0.00 assign (resid 36 and name HB* ) (resid 37 and name HN ) 3.72 3.72 0.00 assign (resid 37 and name HN ) (resid 37 and name HG* ) 4.79 4.79 0.00 assign (resid 37 and name HB* ) (resid 38 and name HN ) 4.27 4.27 0.00 assign (resid 38 and name HN ) (resid 38 and name HG* ) 5.10 5.10 0.00 assign (resid 38 and name HA ) (resid 38 and name HE2* ) 6.36 6.36 0.00 assign (resid 38 and name HB1 ) (resid 38 and name HE2* ) 4.65 4.65 0.00 assign (resid 39 and name HB* ) (resid 40 and name HN ) 3.76 3.76 0.00 assign (resid 39 and name HB* ) (resid 41 and name HN ) 6.38 6.38 0.00 assign (resid 40 and name HA ) (resid 44 and name HG* ) 5.12 5.12 0.00 assign (resid 40 and name HA ) (resid 44 and name HD* ) 5.31 5.31 0.00 assign (resid 41 and name HN ) (resid 41 and name HB* ) 3.19 3.19 0.00 assign (resid 41 and name HB* ) (resid 42 and name HN ) 4.09 4.09 0.00 assign (resid 42 and name HN ) (resid 44 and name HD* ) 6.27 6.27 0.00 assign (resid 42 and name HD1* ) (resid 49 and name HG1* ) 5.35 5.35 0.00 assign (resid 42 and name HD1* ) (resid 53 and name HE2* ) 7.38 7.38 0.00 assign (resid 43 and name HA ) (resid 43 and name HD* ) 4.57 4.57 0.00 assign (resid 43 and name HA ) (resid 44 and name HD* ) 3.71 3.71 0.00 assign (resid 44 and name HA ) (resid 45 and name HG1* ) 6.38 6.38 0.00 assign (resid 44 and name HB2 ) (resid 47 and name HA* ) 5.14 5.14 0.00 assign (resid 45 and name HG2* ) (resid 46 and name HB* ) 5.89 5.89 0.00 assign (resid 45 and name HG1* ) (resid 48 and name HN ) 6.38 6.38 0.00 assign (resid 46 and name HB* ) (resid 48 and name HD1 ) 6.38 6.38 0.00 assign (resid 46 and name HB* ) (resid 48 and name HE1 ) 6.38 6.38 0.00 assign (resid 48 and name HN ) (resid 48 and name HB* ) 3.62 3.62 0.00 assign (resid 48 and name HB* ) (resid 49 and name HN ) 4.18 4.18 0.00 assign (resid 49 and name HN ) (resid 49 and name HG1* ) 4.52 4.52 0.00 assign (resid 49 and name HN ) (resid 85 and name HE2* ) 6.36 6.36 0.00 assign (resid 49 and name HB ) (resid 53 and name HB* ) 6.38 6.38 0.00 assign (resid 49 and name HG2* ) (resid 53 and name HB* ) 7.40 7.40 0.00 assign (resid 49 and name HG2* ) (resid 53 and name HG* ) 7.40 7.40 0.00 assign (resid 49 and name HG2* ) (resid 53 and name HE2* ) 7.38 7.38 0.00 assign (resid 49 and name HG1* ) (resid 50 and name HN ) 6.38 6.38 0.00 assign (resid 49 and name HG1* ) (resid 51 and name HA* ) 7.26 7.26 0.00 assign (resid 49 and name HG1* ) (resid 85 and name HE2* ) 6.32 6.32 0.00 assign (resid 49 and name HG11 ) (resid 85 and name HE21 ) 7.26 7.26 0.00 assign (resid 49 and name 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name HA ) (resid 53 and name HE2* ) 6.36 6.36 0.00 assign (resid 53 and name HA ) (resid 56 and name HD2* ) 6.36 6.36 0.00 assign (resid 53 and name HB1 ) (resid 53 and name HE21 ) 7.26 7.26 0.00 assign (resid 53 and name HB1 ) (resid 53 and name HE22 ) 7.26 7.26 0.00 assign (resid 53 and name HB* ) (resid 54 and name HN ) 3.89 3.89 0.00 assign (resid 55 and name HN ) (resid 55 and name HG* ) 4.70 4.70 0.00 assign (resid 55 and name HA ) (resid 58 and name HB* ) 6.29 6.29 0.00 assign (resid 55 and name HB* ) (resid 56 and name HN ) 3.81 3.81 0.00 assign (resid 55 and name HG* ) (resid 56 and name HN ) 6.38 6.38 0.00 assign (resid 56 and name HN ) (resid 56 and name HD2* ) 6.36 6.36 0.00 assign (resid 58 and name HB* ) (resid 68 and name HD1* ) 7.40 7.40 0.00 assign (resid 58 and name HB* ) (resid 68 and name HD2* ) 5.78 5.78 0.00 assign (resid 58 and name HB* ) (resid 95 and name HG2* ) 7.40 7.40 0.00 assign (resid 58 and name HB* ) (resid 95 and name HD1* ) 6.10 6.10 0.00 assign (resid 59 and name HN ) (resid 59 and name HB* ) 3.10 3.10 0.00 assign (resid 59 and name HB* ) (resid 60 and name HN ) 4.14 4.14 0.00 assign (resid 59 and name HB* ) (resid 68 and name HD1* ) 7.40 7.40 0.00 assign (resid 60 and name HN ) (resid 60 and name HB* ) 3.63 3.63 0.00 assign (resid 60 and name HN ) (resid 60 and name HE2* ) 6.36 6.36 0.00 assign (resid 60 and name HA ) (resid 60 and name HE2* ) 6.36 6.36 0.00 assign (resid 60 and name HE2* ) (resid 61 and name HN ) 6.36 6.36 0.00 assign (resid 61 and name HB* ) (resid 62 and name HN ) 4.03 4.03 0.00 assign (resid 61 and name HB* ) (resid 63 and name HN ) 6.26 6.26 0.00 assign (resid 61 and name HB* ) (resid 63 and name HD1* ) 6.97 6.97 0.00 assign (resid 61 and name HB* ) (resid 68 and name HD2* ) 7.40 7.40 0.00 assign (resid 61 and name HB* ) (resid 95 and name HG2* ) 5.17 5.17 0.00 assign (resid 61 and name HB* ) (resid 99 and name HD* ) 7.24 7.24 0.00 assign (resid 61 and name HB2 ) (resid 99 and name HD1* ) 8.28 8.28 0.00 assign (resid 61 and name HB2 ) (resid 99 and name HD2* ) 8.28 8.28 0.00 assign (resid 62 and name HA* ) (resid 99 and name HD* ) 8.94 8.94 0.00 assign (resid 63 and name HN ) (resid 63 and name HB* ) 3.85 3.85 0.00 assign (resid 63 and name HA ) (resid 64 and name HD* ) 3.48 3.48 0.00 assign (resid 63 and name HA ) (resid 99 and name HD* ) 8.07 8.07 0.00 assign (resid 63 and name HB* ) (resid 64 and name HD* ) 5.24 5.24 0.00 assign (resid 63 and name HB* ) (resid 67 and name HB ) 6.04 6.04 0.00 assign (resid 63 and name HB* ) (resid 67 and name HG1* ) 6.10 6.10 0.00 assign (resid 63 and name HB* ) (resid 67 and name HG2* ) 7.40 7.40 0.00 assign (resid 63 and name HB* ) (resid 68 and name HN ) 5.23 5.23 0.00 assign (resid 63 and name HB* ) (resid 68 and name HA ) 6.38 6.38 0.00 assign (resid 63 and name HB* ) (resid 68 and name HD2* ) 7.40 7.40 0.00 assign (resid 63 and name HB* ) (resid 71 and name HD1* ) 7.40 7.40 0.00 assign (resid 63 and name HB* ) (resid 95 and name HG2* ) 7.40 7.40 0.00 assign (resid 63 and name HD1* ) (resid 98 and name HB* ) 5.80 5.80 0.00 assign (resid 63 and name HD1* ) (resid 98 and name HD* ) 7.40 7.40 0.00 assign (resid 63 and name HD2* ) (resid 64 and name HG* ) 7.19 7.19 0.00 assign (resid 63 and name HD2* ) (resid 64 and name HD* ) 5.27 5.27 0.00 assign (resid 63 and name HD2* ) (resid 98 and name HB* ) 5.71 5.71 0.00 assign (resid 63 and name HD2* ) (resid 98 and name HG* ) 6.08 6.08 0.00 assign (resid 63 and name HD2* ) (resid 98 and name HE* ) 5.77 5.77 0.00 assign (resid 64 and name HB2 ) (resid 66 and name HD* ) 4.94 4.94 0.00 assign (resid 64 and name HB1 ) (resid 66 and name HD* ) 4.91 4.91 0.00 assign (resid 64 and name HG* ) (resid 67 and name HN ) 6.39 6.39 0.00 assign (resid 64 and name HG* ) (resid 67 and name HG2* ) 5.52 5.52 0.00 assign (resid 64 and name HD* ) (resid 67 and name HB ) 5.93 5.93 0.00 assign (resid 64 and name HD* ) (resid 67 and name HG1* ) 6.39 6.39 0.00 assign (resid 64 and name HD* ) (resid 67 and name HG2* ) 5.85 5.85 0.00 assign (resid 64 and name HD* ) (resid 68 and name HD2* ) 7.41 7.41 0.00 assign (resid 65 and name HB* ) (resid 67 and name HN ) 6.38 6.38 0.00 assign (resid 65 and name HG* ) (resid 66 and name HD* ) 7.27 7.27 0.00 assign (resid 65 and name HG* ) (resid 67 and name HN ) 6.38 6.38 0.00 assign (resid 65 and name HG* ) (resid 69 and name HB* ) 6.38 6.38 0.00 assign (resid 66 and name HB* ) (resid 67 and name HN ) 4.42 4.42 0.00 assign (resid 66 and name HB* ) (resid 67 and name HA ) 5.92 5.92 0.00 assign (resid 66 and name HB* ) (resid 67 and name HG2* ) 5.76 5.76 0.00 assign (resid 66 and name HG* ) (resid 67 and name HN ) 5.11 5.11 0.00 assign (resid 66 and name HG* ) (resid 67 and name HG2* ) 7.41 7.41 0.00 assign (resid 66 and name HD* ) (resid 67 and name HN ) 5.09 5.09 0.00 assign (resid 66 and name HD* ) (resid 67 and name HG2* ) 7.41 7.41 0.00 assign (resid 67 and name HN ) (resid 70 and name HG* ) 6.38 6.38 0.00 assign (resid 67 and name HA ) (resid 70 and name HB* ) 4.06 4.06 0.00 assign (resid 67 and name HG1* ) (resid 70 and name HG* ) 7.40 7.40 0.00 assign (resid 67 and name HG1* ) (resid 98 and name HB* ) 6.81 6.81 0.00 assign (resid 67 and name HG1* ) (resid 98 and name HD* ) 6.11 6.11 0.00 assign (resid 67 and name HG1* ) (resid 98 and name HE* ) 5.49 5.49 0.00 assign (resid 67 and name HG2* ) (resid 70 and name HG* ) 7.40 7.40 0.00 assign (resid 67 and name HG2* ) (resid 98 and name HD* ) 7.40 7.40 0.00 assign (resid 67 and name HG2* ) (resid 98 and name HE* ) 5.95 5.95 0.00 assign (resid 70 and name HN ) (resid 70 and name HB* ) 3.02 3.02 0.00 assign (resid 70 and name HN ) (resid 71 and name HG1* ) 6.38 6.38 0.00 assign (resid 70 and name HB* ) (resid 71 and name HN ) 3.89 3.89 0.00 assign (resid 70 and name HB* ) (resid 71 and name HG1* ) 7.26 7.26 0.00 assign (resid 70 and name HB* ) (resid 73 and name HN ) 6.38 6.38 0.00 assign (resid 70 and name HB* ) (resid 74 and name HD1* ) 5.90 5.90 0.00 assign (resid 70 and name HG* ) (resid 73 and name HN ) 6.38 6.38 0.00 assign (resid 70 and name HG* ) (resid 73 and name HB* ) 6.32 6.32 0.00 assign (resid 70 and name HG* ) (resid 74 and name HG ) 6.38 6.38 0.00 assign (resid 70 and name HG* ) (resid 74 and name HD1* ) 6.11 6.11 0.00 assign (resid 70 and name HE2* ) (resid 73 and name HN ) 6.36 6.36 0.00 assign (resid 70 and name HE2* ) (resid 73 and name HB* ) 7.38 7.38 0.00 assign (resid 70 and name HE2* ) (resid 74 and name HD2* ) 7.38 7.38 0.00 assign (resid 71 and name HA ) (resid 94 and name HB* ) 6.38 6.38 0.00 assign (resid 71 and name HB ) (resid 94 and name HD* ) 8.07 8.07 0.00 assign (resid 71 and name HG2* ) (resid 94 and name HB* ) 5.54 5.54 0.00 assign (resid 71 and name HG2* ) (resid 94 and name HD* ) 9.09 9.09 0.00 assign (resid 71 and name HG1* ) (resid 74 and name HB2 ) 6.38 6.38 0.00 assign (resid 71 and name HG1* ) (resid 95 and name HB ) 6.38 6.38 0.00 assign (resid 71 and name HG1* ) (resid 95 and name HD1* ) 5.79 5.79 0.00 assign (resid 71 and name HG1* ) (resid 98 and name HB* ) 6.32 6.32 0.00 assign (resid 71 and name HG12 ) (resid 98 and name HB2 ) 7.26 7.26 0.00 assign (resid 71 and name HG11 ) (resid 98 and name HB2 ) 7.26 7.26 0.00 assign (resid 71 and name HD1* ) (resid 94 and name HB* ) 7.40 7.40 0.00 assign (resid 71 and name HD1* ) (resid 94 and name HD* ) 8.16 8.16 0.00 assign (resid 72 and name HD1 ) (resid 76 and name HB* ) 6.38 6.38 0.00 assign (resid 72 and name HZ2 ) (resid 76 and name HB* ) 6.38 6.38 0.00 assign (resid 73 and name HN ) (resid 94 and name HD* ) 8.07 8.07 0.00 assign (resid 73 and name HB* ) (resid 79 and name HD2* ) 7.38 7.38 0.00 assign (resid 74 and name HN ) (resid 106 and name HB* ) 6.38 6.38 0.00 assign (resid 74 and name HD2* ) (resid 108 and name HB* ) 6.37 6.37 0.00 assign (resid 75 and name HA ) (resid 90 and name HG1* ) 6.38 6.38 0.00 assign (resid 75 and name HA ) (resid 94 and name HB* ) 6.38 6.38 0.00 assign (resid 76 and name HN ) (resid 76 and name HB* ) 3.13 3.13 0.00 assign (resid 76 and name HB* ) (resid 79 and name HN ) 6.38 6.38 0.00 assign (resid 76 and name HB* ) (resid 80 and name HN ) 6.38 6.38 0.00 assign (resid 76 and name HB* ) (resid 83 and name HE* ) 7.21 7.21 0.00 assign (resid 77 and name HN ) (resid 79 and name HB* ) 6.38 6.38 0.00 assign (resid 77 and name HG* ) (resid 78 and name HN ) 5.32 5.32 0.00 assign (resid 77 and name HG* ) (resid 90 and name HG2* ) 7.40 7.40 0.00 assign (resid 77 and name HG* ) (resid 90 and name HD1* ) 6.34 6.34 0.00 assign (resid 77 and name HE* ) (resid 90 and name HG1* ) 5.14 5.14 0.00 assign (resid 78 and name HN ) (resid 87 and name HG* ) 6.38 6.38 0.00 assign (resid 78 and name HD2* ) (resid 80 and name HA ) 6.36 6.36 0.00 assign (resid 79 and name HN ) (resid 79 and name HB* ) 3.53 3.53 0.00 assign (resid 79 and name HA ) (resid 87 and name HG* ) 6.38 6.38 0.00 assign (resid 79 and name HD2* ) (resid 83 and name HN ) 6.36 6.36 0.00 assign (resid 80 and name HN ) (resid 80 and name HB* ) 3.60 3.60 0.00 assign (resid 82 and name HN ) (resid 82 and name HG* ) 5.17 5.17 0.00 assign (resid 82 and name HB* ) (resid 83 and name HN ) 3.44 3.44 0.00 assign (resid 82 and name HD* ) (resid 83 and name HN ) 6.38 6.38 0.00 assign (resid 83 and name HN ) (resid 83 and name HB* ) 3.82 3.82 0.00 assign (resid 83 and name HB* ) (resid 84 and name HN ) 4.28 4.28 0.00 assign (resid 83 and name HB* ) (resid 87 and name HB* ) 6.32 6.32 0.00 assign (resid 83 and name HB1 ) (resid 87 and name HB2 ) 7.26 7.26 0.00 assign (resid 83 and name HB1 ) (resid 87 and name HB1 ) 7.26 7.26 0.00 assign (resid 83 and name HG* ) (resid 84 and name HN ) 5.14 5.14 0.00 assign (resid 83 and name HE* ) (resid 87 and name HB* ) 6.28 6.28 0.00 assign (resid 84 and name HN ) (resid 87 and name HB* ) 4.15 4.15 0.00 assign (resid 84 and name HB* ) (resid 85 and name HN ) 3.50 3.50 0.00 assign (resid 84 and name HB* ) (resid 86 and name HN ) 5.54 5.54 0.00 assign (resid 84 and name HB* ) (resid 86 and name HG* ) 7.24 7.24 0.00 assign (resid 84 and name HB1 ) (resid 86 and name HG1* ) 8.28 8.28 0.00 assign (resid 84 and name HB1 ) (resid 86 and name HG2* ) 8.28 8.28 0.00 assign (resid 85 and name HN ) (resid 85 and name HB* ) 3.62 3.62 0.00 assign (resid 85 and name HN ) (resid 85 and name HG* ) 4.82 4.82 0.00 assign (resid 85 and name HN ) (resid 86 and name HG* ) 8.07 8.07 0.00 assign (resid 85 and name HA ) (resid 88 and name HB* ) 4.50 4.50 0.00 assign (resid 85 and name HB* ) (resid 89 and name HA ) 6.38 6.38 0.00 assign (resid 86 and name HG* ) (resid 90 and name HN ) 8.07 8.07 0.00 assign (resid 87 and name HN ) (resid 87 and name HG* ) 5.02 5.02 0.00 assign (resid 87 and name HB* ) (resid 90 and name HG2* ) 7.40 7.40 0.00 assign (resid 88 and name HB* ) (resid 89 and name HN ) 4.16 4.16 0.00 assign (resid 90 and name HG1* ) (resid 94 and name HN ) 6.38 6.38 0.00 assign (resid 90 and name HG1* ) (resid 112 and name HE* ) 7.40 7.40 0.00 assign (resid 90 and name HG1* ) (resid 113 and name HA ) 5.70 5.70 0.00 assign (resid 90 and name HD1* ) (resid 113 and name HB* ) 7.40 7.40 0.00 assign (resid 94 and name HA ) (resid 97 and name HB* ) 4.83 4.83 0.00 assign (resid 94 and name HB* ) (resid 95 and name HN ) 3.22 3.22 0.00 assign (resid 94 and name HB* ) (resid 95 and name HA ) 5.20 5.20 0.00 assign (resid 94 and name HB* ) (resid 95 and name HG1* ) 7.26 7.26 0.00 assign (resid 94 and name HB* ) (resid 95 and name HD1* ) 7.40 7.40 0.00 assign (resid 94 and name HD* ) (resid 95 and name HA ) 8.07 8.07 0.00 assign (resid 94 and name HD* ) (resid 97 and name HD2* ) 9.09 9.09 0.00 assign (resid 95 and name HA ) (resid 98 and name HB* ) 5.23 5.23 0.00 assign (resid 95 and name HG2* ) (resid 98 and name HB* ) 7.40 7.40 0.00 assign (resid 96 and name HA ) (resid 99 and name HD* ) 8.07 8.07 0.00 assign (resid 96 and name HB* ) (resid 97 and name HN ) 4.36 4.36 0.00 assign (resid 97 and name HA ) (resid 100 and name HB* ) 4.52 4.52 0.00 assign (resid 97 and name HA ) (resid 100 and name HG* ) 6.38 6.38 0.00 assign (resid 97 and name HB* ) (resid 102 and name HN ) 6.38 6.38 0.00 assign (resid 97 and name HB* ) (resid 102 and name HB* ) 5.83 5.83 0.00 assign (resid 97 and name HB2 ) (resid 102 and name HB2 ) 7.20 7.20 0.00 assign (resid 97 and name HB* ) (resid 102 and name HE* ) 8.51 8.51 0.00 assign (resid 97 and name HG ) (resid 100 and name HG* ) 6.38 6.38 0.00 assign (resid 97 and name HD1* ) (resid 100 and name HG* ) 7.40 7.40 0.00 assign (resid 97 and name HD2* ) (resid 100 and name HG* ) 7.40 7.40 0.00 assign (resid 98 and name HA ) (resid 98 and name HD* ) 6.38 6.38 0.00 assign (resid 98 and name HB* ) (resid 98 and name HE* ) 5.28 5.28 0.00 assign (resid 98 and name HB* ) (resid 99 and name HN ) 3.68 3.68 0.00 assign (resid 98 and name HD* ) (resid 99 and name HN ) 6.38 6.38 0.00 assign (resid 100 and name HN ) (resid 100 and name HG* ) 5.02 5.02 0.00 assign (resid 100 and name HB* ) (resid 102 and name HD* ) 8.51 8.51 0.00 assign (resid 100 and name HG* ) (resid 101 and name HN ) 6.38 6.38 0.00 assign (resid 100 and name HG* ) (resid 102 and name HE* ) 8.51 8.51 0.00 assign (resid 102 and name HN ) (resid 102 and name HB* ) 3.36 3.36 0.00 assign (resid 102 and name HA ) (resid 103 and name HB* ) 5.64 5.64 0.00 assign (resid 102 and name HB* ) (resid 103 and name HN ) 3.42 3.42 0.00 assign (resid 105 and name HG* ) (resid 107 and name HN ) 5.43 5.43 0.00 assign (resid 106 and name HN ) (resid 106 and name HB* ) 3.66 3.66 0.00 assign (resid 106 and name HB* ) (resid 107 and name HN ) 4.04 4.04 0.00 assign (resid 108 and name HD1* ) (resid 112 and name HB* ) 7.40 7.40 0.00 assign (resid 108 and name HD1* ) (resid 112 and name HG* ) 7.40 7.40 0.00 assign (resid 110 and name HB* ) (resid 111 and name HN ) 3.97 3.97 0.00 assign (resid 110 and name HB* ) (resid 113 and name HD* ) 7.27 7.27 0.00 assign (resid 111 and name HN ) (resid 113 and name HD* ) 6.38 6.38 0.00 assign (resid 111 and name HA ) (resid 113 and name HD* ) 6.38 6.38 0.00 assign (resid 111 and name HA ) (resid 114 and name HB* ) 5.17 5.17 0.00 assign (resid 111 and name HA ) (resid 114 and name HG* ) 4.73 4.73 0.00 assign (resid 111 and name HG1* ) (resid 114 and name HB* ) 7.40 7.40 0.00 assign (resid 111 and name HG2* ) (resid 112 and name HB* ) 7.40 7.40 0.00 assign (resid 112 and name HN ) (resid 112 and name HB* ) 3.42 3.42 0.00 assign (resid 112 and name HN ) (resid 112 and name HG* ) 4.11 4.11 0.00 assign (resid 112 and name HN ) (resid 113 and name HB* ) 6.38 6.38 0.00 assign (resid 112 and name HN ) (resid 113 and name HG* ) 6.07 6.07 0.00 assign (resid 112 and name HN ) (resid 113 and name HD* ) 6.38 6.38 0.00 assign (resid 112 and name HG* ) (resid 113 and name HN ) 5.33 5.33 0.00 assign (resid 113 and name HN ) (resid 113 and name HB* ) 3.63 3.63 0.00 assign (resid 113 and name HN ) (resid 113 and name HG* ) 5.27 5.27 0.00 assign (resid 113 and name HN ) (resid 114 and name HB* ) 5.73 5.73 0.00 assign (resid 114 and name HN ) (resid 114 and name HB* ) 3.73 3.73 0.00 assign (resid 114 and name HB* ) (resid 115 and name HN ) 3.53 3.53 0.00 assign (resid 115 and name HA ) (resid 116 and name HD* ) 3.62 3.62 0.00 assign (resid 115 and name HB2 ) (resid 116 and name HD* ) 6.39 6.39 0.00 assign (resid 116 and name HB* ) (resid 117 and name HN ) 4.36 4.36 0.00 assign (resid 117 and name HG* ) (resid 118 and name HA ) 6.83 6.83 0.00 assign (resid 119 and name HN ) (resid 119 and name HG1* ) 4.55 4.55 0.00 nassign=2500 assign (resid 28 and name C ) (resid 29 and name N ) (resid 29 and name CA ) (resid 29 and name C ) 1.0 -57.0 12.0 2 assign (resid 29 and name N ) (resid 29 and name CA ) (resid 29 and name C ) (resid 30 and name N ) 1.0 -38.0 17.0 2 assign (resid 29 and name C ) (resid 30 and name N ) (resid 30 and name CA ) (resid 30 and name C ) 1.0 -64.0 11.0 2 assign (resid 30 and name N ) (resid 30 and name CA ) (resid 30 and name C ) (resid 31 and name N ) 1.0 -38.0 21.0 2 assign (resid 30 and name C ) (resid 31 and name N ) (resid 31 and name CA ) (resid 31 and name C ) 1.0 -67.0 12.0 2 assign (resid 31 and name N ) (resid 31 and name CA ) (resid 31 and name C ) (resid 32 and name N ) 1.0 -43.0 10.0 2 assign (resid 31 and name C ) (resid 32 and name N ) (resid 32 and name CA ) (resid 32 and name C ) 1.0 -62.0 15.0 2 assign (resid 32 and name N ) (resid 32 and name CA ) (resid 32 and name C ) (resid 33 and name N ) 1.0 -37.0 42.0 2 assign (resid 32 and name C ) (resid 33 and name N ) (resid 33 and name CA ) (resid 33 and name C ) 1.0 -68.0 17.0 2 assign (resid 33 and name N ) (resid 33 and name CA ) (resid 33 and name C ) (resid 34 and name N ) 1.0 -32.0 29.0 2 assign (resid 33 and name C ) (resid 34 and name N ) (resid 34 and name CA ) (resid 34 and name C ) 1.0 -67.0 10.0 2 assign (resid 34 and name N ) (resid 34 and name CA ) (resid 34 and name C ) (resid 35 and name N ) 1.0 -39.0 12.0 2 assign (resid 34 and name C ) (resid 35 and name N ) (resid 35 and name CA ) (resid 35 and name C ) 1.0 -66.0 11.0 2 assign (resid 35 and name N ) (resid 35 and name CA ) (resid 35 and name C ) (resid 36 and name N ) 1.0 -38.0 17.0 2 assign (resid 35 and name C ) (resid 36 and name N ) (resid 36 and name CA ) (resid 36 and name C ) 1.0 -64.0 13.0 2 assign (resid 36 and name N ) (resid 36 and name CA ) (resid 36 and name C ) (resid 37 and name N ) 1.0 -40.0 15.0 2 assign (resid 36 and name C ) (resid 37 and name N ) (resid 37 and name CA ) (resid 37 and name C ) 1.0 -64.0 13.0 2 assign (resid 37 and name N ) (resid 37 and name CA ) (resid 37 and name C ) (resid 38 and name N ) 1.0 -44.0 23.0 2 assign (resid 37 and name C ) (resid 38 and name N ) (resid 38 and name CA ) (resid 38 and name C ) 1.0 -67.0 10.0 2 assign (resid 38 and name N ) (resid 38 and name CA ) (resid 38 and name C ) (resid 39 and name N ) 1.0 -36.0 15.0 2 assign (resid 38 and name C ) (resid 39 and name N ) (resid 39 and name CA ) (resid 39 and name C ) 1.0 -65.0 10.0 2 assign (resid 39 and name N ) (resid 39 and name CA ) (resid 39 and name C ) (resid 40 and name N ) 1.0 -42.0 11.0 2 assign (resid 39 and name C ) (resid 40 and name N ) (resid 40 and name CA ) (resid 40 and name C ) 1.0 -62.0 11.0 2 assign (resid 40 and name N ) (resid 40 and name CA ) (resid 40 and name C ) (resid 41 and name N ) 1.0 -39.0 10.0 2 assign (resid 40 and name C ) (resid 41 and name N ) (resid 41 and name CA ) (resid 41 and name C ) 1.0 -65.0 10.0 2 assign (resid 41 and name N ) (resid 41 and name CA ) (resid 41 and name C ) (resid 42 and name N ) 1.0 -41.0 22.0 2 assign (resid 41 and name C ) (resid 42 and name N ) (resid 42 and name CA ) (resid 42 and name C ) 1.0 -91.0 28.0 2 assign (resid 42 and name N ) (resid 42 and name CA ) (resid 42 and name C ) (resid 43 and name N ) 1.0 6.0 47.0 2 assign (resid 50 and name C ) (resid 51 and name N ) (resid 51 and name CA ) (resid 51 and name C ) 1.0 -57.0 12.0 2 assign (resid 51 and name N ) (resid 51 and name CA ) (resid 51 and name C ) (resid 52 and name N ) 1.0 -42.0 19.0 2 assign (resid 51 and name C ) (resid 52 and name N ) (resid 52 and name CA ) (resid 52 and name C ) 1.0 -67.0 10.0 2 assign (resid 52 and name N ) (resid 52 and name CA ) (resid 52 and name C ) (resid 53 and name N ) 1.0 -42.0 11.0 2 assign (resid 52 and name C ) (resid 53 and name N ) (resid 53 and name CA ) (resid 53 and name C ) 1.0 -64.0 11.0 2 assign (resid 53 and name N ) (resid 53 and name CA ) (resid 53 and name C ) (resid 54 and name N ) 1.0 -42.0 15.0 2 assign (resid 53 and name C ) (resid 54 and name N ) (resid 54 and name CA ) (resid 54 and name C ) 1.0 -60.0 11.0 2 assign (resid 54 and name N ) (resid 54 and name CA ) (resid 54 and name C ) (resid 55 and name N ) 1.0 -45.0 10.0 2 assign (resid 54 and name C ) (resid 55 and name N ) (resid 55 and name CA ) (resid 55 and name C ) 1.0 -61.0 12.0 2 assign (resid 55 and name N ) (resid 55 and name CA ) (resid 55 and name C ) (resid 56 and name N ) 1.0 -45.0 10.0 2 assign (resid 55 and name C ) (resid 56 and name N ) (resid 56 and name CA ) (resid 56 and name C ) 1.0 -64.0 11.0 2 assign (resid 56 and name N ) (resid 56 and name CA ) (resid 56 and name C ) (resid 57 and name N ) 1.0 -39.0 20.0 2 assign (resid 56 and name C ) (resid 57 and name N ) (resid 57 and name CA ) (resid 57 and name C ) 1.0 -63.0 10.0 2 assign (resid 57 and name N ) (resid 57 and name CA ) (resid 57 and name C ) (resid 58 and name N ) 1.0 -52.0 7.0 2 assign (resid 57 and name C ) (resid 58 and name N ) (resid 58 and name CA ) (resid 58 and name C ) 1.0 -84.0 39.0 2 assign (resid 58 and name N ) (resid 58 and name CA ) (resid 58 and name C ) (resid 59 and name N ) 1.0 -18.0 57.0 2 assign (resid 58 and name C ) (resid 59 and name N ) (resid 59 and name CA ) (resid 59 and name C ) 1.0 -60.0 11.0 2 assign (resid 59 and name N ) (resid 59 and name CA ) (resid 59 and name C ) (resid 60 and name N ) 1.0 -33.0 24.0 2 assign (resid 59 and name C ) (resid 60 and name N ) (resid 60 and name CA ) (resid 60 and name C ) 1.0 -65.0 14.0 2 assign (resid 60 and name N ) (resid 60 and name CA ) (resid 60 and name C ) (resid 61 and name N ) 1.0 -28.0 33.0 2 assign (resid 60 and name C ) (resid 61 and name N ) (resid 61 and name CA ) (resid 61 and name C ) 1.0 -79.0 26.0 2 assign (resid 61 and name N ) (resid 61 and name CA ) (resid 61 and name C ) (resid 62 and name N ) 1.0 -24.0 23.0 2 assign (resid 67 and name C ) (resid 68 and name N ) (resid 68 and name CA ) (resid 68 and name C ) 1.0 -65.0 10.0 2 assign (resid 68 and name N ) (resid 68 and name CA ) (resid 68 and name C ) (resid 69 and name N ) 1.0 -39.0 18.0 2 assign (resid 68 and name C ) (resid 69 and name N ) (resid 69 and name CA ) (resid 69 and name C ) 1.0 -65.0 10.0 2 assign (resid 69 and name N ) (resid 69 and name CA ) (resid 69 and name C ) (resid 70 and name N ) 1.0 -40.0 11.0 2 assign (resid 69 and name C ) (resid 70 and name N ) (resid 70 and name CA ) (resid 70 and name C ) 1.0 -68.0 13.0 2 assign (resid 70 and name N ) (resid 70 and name CA ) (resid 70 and name C ) (resid 71 and name N ) 1.0 -41.0 10.0 2 assign (resid 70 and name C ) (resid 71 and name N ) (resid 71 and name CA ) (resid 71 and name C ) 1.0 -65.0 10.0 2 assign (resid 71 and name N ) (resid 71 and name CA ) (resid 71 and name C ) (resid 72 and name N ) 1.0 -45.0 10.0 2 assign (resid 71 and name C ) (resid 72 and name N ) (resid 72 and name CA ) (resid 72 and name C ) 1.0 -58.0 11.0 2 assign (resid 72 and name N ) (resid 72 and name CA ) (resid 72 and name C ) (resid 73 and name N ) 1.0 -43.0 14.0 2 assign (resid 72 and name C ) (resid 73 and name N ) (resid 73 and name CA ) (resid 73 and name C ) 1.0 -66.0 15.0 2 assign (resid 73 and name N ) (resid 73 and name CA ) (resid 73 and name C ) (resid 74 and name N ) 1.0 -35.0 22.0 2 assign (resid 73 and name C ) (resid 74 and name N ) (resid 74 and name CA ) (resid 74 and name C ) 1.0 -71.0 26.0 2 assign (resid 74 and name N ) (resid 74 and name CA ) (resid 74 and name C ) (resid 75 and name N ) 1.0 -38.0 21.0 2 assign (resid 74 and name C ) (resid 75 and name N ) (resid 75 and name CA ) (resid 75 and name C ) 1.0 -77.0 12.0 2 assign (resid 75 and name N ) (resid 75 and name CA ) (resid 75 and name C ) (resid 76 and name N ) 1.0 -27.0 44.0 2 assign (resid 76 and name C ) (resid 77 and name N ) (resid 77 and name CA ) (resid 77 and name C ) 1.0 -56.0 11.0 2 assign (resid 77 and name N ) (resid 77 and name CA ) (resid 77 and name C ) (resid 78 and name N ) 1.0 -42.0 11.0 2 assign (resid 77 and name C ) (resid 78 and name N ) (resid 78 and name CA ) (resid 78 and name C ) 1.0 -104.0 37.0 2 assign (resid 78 and name N ) (resid 78 and name CA ) (resid 78 and name C ) (resid 79 and name N ) 1.0 14.0 25.0 2 assign (resid 84 and name C ) (resid 85 and name N ) (resid 85 and name CA ) (resid 85 and name C ) 1.0 -62.0 11.0 2 assign (resid 85 and name N ) (resid 85 and name CA ) (resid 85 and name C ) (resid 86 and name N ) 1.0 -35.0 14.0 2 assign (resid 85 and name C ) (resid 86 and name N ) (resid 86 and name CA ) (resid 86 and name C ) 1.0 -67.0 16.0 2 assign (resid 86 and name N ) (resid 86 and name CA ) (resid 86 and name C ) (resid 87 and name N ) 1.0 -47.0 10.0 2 assign (resid 86 and name C ) (resid 87 and name N ) (resid 87 and name CA ) (resid 87 and name C ) 1.0 -62.0 11.0 2 assign (resid 87 and name N ) (resid 87 and name CA ) (resid 87 and name C ) (resid 88 and name N ) 1.0 -47.0 24.0 2 assign (resid 87 and name C ) (resid 88 and name N ) (resid 88 and name CA ) (resid 88 and name C ) 1.0 -64.0 11.0 2 assign (resid 88 and name N ) (resid 88 and name CA ) (resid 88 and name C ) (resid 89 and name N ) 1.0 -42.0 13.0 2 assign (resid 88 and name C ) (resid 89 and name N ) (resid 89 and name CA ) (resid 89 and name C ) 1.0 -65.0 12.0 2 assign (resid 89 and name N ) (resid 89 and name CA ) (resid 89 and name C ) (resid 90 and name N ) 1.0 -29.0 20.0 2 assign (resid 89 and name C ) (resid 90 and name N ) (resid 90 and name CA ) (resid 90 and name C ) 1.0 -82.0 37.0 2 assign (resid 90 and name N ) (resid 90 and name CA ) (resid 90 and name C ) (resid 91 and name N ) 1.0 -12.0 35.0 2 assign (resid 90 and name C ) (resid 91 and name N ) (resid 91 and name CA ) (resid 91 and name C ) 1.0 -86.0 35.0 2 assign (resid 91 and name N ) (resid 91 and name CA ) (resid 91 and name C ) (resid 92 and name N ) 1.0 -7.0 28.0 2 assign (resid 92 and name C ) (resid 93 and name N ) (resid 93 and name CA ) (resid 93 and name C ) 1.0 -75.0 30.0 2 assign (resid 93 and name N ) (resid 93 and name CA ) (resid 93 and name C ) (resid 94 and name N ) 1.0 -24.0 53.0 2 assign (resid 93 and name C ) (resid 94 and name N ) (resid 94 and name CA ) (resid 94 and name C ) 1.0 -61.0 16.0 2 assign (resid 94 and name N ) (resid 94 and name CA ) (resid 94 and name C ) (resid 95 and name N ) 1.0 -38.0 21.0 2 assign (resid 94 and name C ) (resid 95 and name N ) (resid 95 and name CA ) (resid 95 and name C ) 1.0 -65.0 10.0 2 assign (resid 95 and name N ) (resid 95 and name CA ) (resid 95 and name C ) (resid 96 and name N ) 1.0 -43.0 10.0 2 assign (resid 95 and name C ) (resid 96 and name N ) (resid 96 and name CA ) (resid 96 and name C ) 1.0 -61.0 10.0 2 assign (resid 96 and name N ) (resid 96 and name CA ) (resid 96 and name C ) (resid 97 and name N ) 1.0 -45.0 16.0 2 assign (resid 96 and name C ) (resid 97 and name N ) (resid 97 and name CA ) (resid 97 and name C ) 1.0 -69.0 24.0 2 assign (resid 97 and name N ) (resid 97 and name CA ) (resid 97 and name C ) (resid 98 and name N ) 1.0 -38.0 19.0 2 assign (resid 97 and name C ) (resid 98 and name N ) (resid 98 and name CA ) (resid 98 and name C ) 1.0 -65.0 10.0 2 assign (resid 98 and name N ) (resid 98 and name CA ) (resid 98 and name C ) (resid 99 and name N ) 1.0 -39.0 10.0 2 assign (resid 98 and name C ) (resid 99 and name N ) (resid 99 and name CA ) (resid 99 and name C ) 1.0 -67.0 10.0 2 assign (resid 99 and name N ) (resid 99 and name CA ) (resid 99 and name C ) (resid 100 and name N ) 1.0 -23.0 20.0 2 assign (resid 99 and name C ) (resid 100 and name N ) (resid 100 and name CA ) (resid 100 and name C ) 1.0 -84.0 15.0 2 assign (resid 100 and name N ) (resid 100 and name CA ) (resid 100 and name C ) (resid 101 and name N ) 1.0 -8.0 17.0 2 assign (resid 110 and name C ) (resid 111 and name N ) (resid 111 and name CA ) (resid 111 and name C ) 1.0 -75.0 28.0 2 assign (resid 111 and name N ) (resid 111 and name CA ) (resid 111 and name C ) (resid 112 and name N ) 1.0 -38.0 18.0 2 assign (resid 111 and name C ) (resid 112 and name N ) (resid 112 and name CA ) (resid 112 and name C ) 1.0 -71.0 30.0 2 assign (resid 112 and name N ) (resid 112 and name CA ) (resid 112 and name C ) (resid 113 and name N ) 1.0 -37.0 14.0 2 assign (resid 112 and name C ) (resid 113 and name N ) (resid 113 and name CA ) (resid 113 and name C ) 1.0 -85.0 22.0 2 assign (resid 113 and name N ) (resid 113 and name CA ) (resid 113 and name C ) (resid 114 and name N ) 1.0 -17.0 32.0 2 assign (resid 19 and name C ) (resid 20 and name N ) (resid 20 and name CA ) (resid 20 and name C ) 1.0 180.0 135.0 2 assign (resid 20 and name C ) (resid 21 and name N ) (resid 21 and name CA ) (resid 21 and name C ) 1.0 180.0 135.0 2 assign (resid 20 and name C ) (resid 21 and name N ) (resid 21 and name CA ) (resid 21 and name C ) 1.0 -55.0 130.0 2 assign (resid 21 and name N ) (resid 21 and name CA ) (resid 21 and name C ) (resid 22 and name N ) 1.0 95.0 110.0 2 assign (resid 21 and name C ) (resid 22 and name N ) (resid 22 and name CA ) (resid 22 and name C ) 1.0 180.0 135.0 2 assign (resid 21 and name C ) (resid 22 and name N ) (resid 22 and name CA ) (resid 22 and name C ) 1.0 -55.0 130.0 2 assign (resid 22 and name N ) (resid 22 and name CA ) (resid 22 and name CB ) (resid 22 and name CG ) 1.0 -170.0 165.0 2 assign (resid 22 and name N ) (resid 22 and name CA ) (resid 22 and name CB ) (resid 22 and name CG ) 1.0 -50.0 155.0 2 assign (resid 22 and name CA ) (resid 22 and name CB ) (resid 22 and name CG ) (resid 22 and name CD1 ) 1.0 180.0 145.0 2 assign (resid 22 and name CA ) (resid 22 and name CB ) (resid 22 and name CG ) (resid 22 and name CD1 ) 1.0 55.0 150.0 2 assign (resid 22 and name N ) (resid 22 and name CA ) (resid 22 and name C ) (resid 23 and name N ) 1.0 -120.0 145.0 2 assign (resid 22 and name N ) (resid 22 and name CA ) (resid 22 and name C ) (resid 23 and name N ) 1.0 80.0 125.0 2 assign (resid 22 and name C ) (resid 23 and name N ) (resid 23 and name CA ) (resid 23 and name C ) 1.0 175.0 130.0 2 assign (resid 22 and name C ) (resid 23 and name N ) (resid 23 and name CA ) (resid 23 and name C ) 1.0 -55.0 130.0 2 assign (resid 23 and name N ) (resid 23 and name CA ) (resid 23 and name CB ) (resid 23 and name CG ) 1.0 -60.0 165.0 2 assign (resid 23 and name N ) (resid 23 and name CA ) (resid 23 and name C ) (resid 24 and name N ) 1.0 70.0 85.0 2 assign (resid 23 and name C ) (resid 24 and name N ) (resid 24 and name CA ) (resid 24 and name C ) 1.0 -110.0 65.0 2 assign (resid 24 and name N ) (resid 24 and name CA ) (resid 24 and name CB ) (resid 24 and name OG1 ) 1.0 5.0 80.0 2 assign (resid 24 and name N ) (resid 24 and name CA ) (resid 24 and name C ) (resid 25 and name N ) 1.0 -35.0 50.0 2 assign (resid 24 and name C ) (resid 25 and name N ) (resid 25 and name CA ) (resid 25 and name C ) 1.0 180.0 135.0 2 assign (resid 24 and name C ) (resid 25 and name N ) (resid 25 and name CA ) (resid 25 and name C ) 1.0 -60.0 125.0 2 assign (resid 25 and name N ) (resid 25 and name CA ) (resid 25 and name CB ) (resid 25 and name CG ) 1.0 180.0 155.0 2 assign (resid 25 and name N ) (resid 25 and name CA ) (resid 25 and name CB ) (resid 25 and name CG ) 1.0 -55.0 150.0 2 assign (resid 25 and name CA ) (resid 25 and name CB ) (resid 25 and name CG ) (resid 25 and name CD1 ) 1.0 0.0 145.0 2 assign (resid 25 and name N ) (resid 25 and name CA ) (resid 25 and name C ) (resid 26 and name N ) 1.0 -25.0 60.0 2 assign (resid 25 and name C ) (resid 26 and name N ) (resid 26 and name CA ) (resid 26 and name C ) 1.0 180.0 135.0 2 assign (resid 25 and name C ) (resid 26 and name N ) (resid 26 and name CA ) (resid 26 and name C ) 1.0 -55.0 130.0 2 assign (resid 26 and name N ) (resid 26 and name CA ) (resid 26 and name C ) (resid 27 and name N ) 1.0 115.0 90.0 2 assign (resid 26 and name C ) (resid 27 and name N ) (resid 27 and name CA ) (resid 27 and name C ) 1.0 -100.0 55.0 2 assign (resid 27 and name N ) (resid 27 and name CA ) (resid 27 and name CB ) (resid 27 and name CG1 ) 1.0 -50.0 25.0 2 assign (resid 27 and name CA ) (resid 27 and name CB ) (resid 27 and name CG1 ) (resid 27 and name CD1 ) 1.0 -165.0 120.0 2 assign (resid 27 and name CA ) (resid 27 and name CB ) (resid 27 and name CG1 ) (resid 27 and name CD1 ) 1.0 55.0 140.0 2 assign (resid 27 and name N ) (resid 27 and name CA ) (resid 27 and name C ) (resid 28 and name N ) 1.0 75.0 90.0 2 assign (resid 27 and name C ) (resid 28 and name N ) (resid 28 and name CA ) (resid 28 and name C ) 1.0 180.0 135.0 2 assign (resid 27 and name C ) (resid 28 and name N ) (resid 28 and name CA ) (resid 28 and name C ) 1.0 -55.0 130.0 2 assign (resid 28 and name N ) (resid 28 and name CA ) (resid 28 and name CB ) (resid 28 and name OG1 ) 1.0 -60.0 155.0 2 assign (resid 28 and name N ) (resid 28 and name CA ) (resid 28 and name CB ) (resid 28 and name OG1 ) 1.0 65.0 140.0 2 assign (resid 28 and name N ) (resid 28 and name CA ) (resid 28 and name C ) (resid 29 and name N ) 1.0 55.0 140.0 2 assign (resid 29 and name N ) (resid 29 and name CA ) (resid 29 and name CB ) (resid 29 and name CG1 ) 1.0 125.0 80.0 2 assign (resid 29 and name N ) (resid 29 and name CA ) (resid 29 and name CB ) (resid 29 and name CG1 ) 1.0 -55.0 140.0 2 assign (resid 30 and name N ) (resid 30 and name CA ) (resid 30 and name CB ) (resid 30 and name CG ) 1.0 -120.0 85.0 2 assign (resid 30 and name CA ) (resid 30 and name CB ) (resid 30 and name CG ) (resid 30 and name CD ) 1.0 180.0 155.0 2 assign (resid 31 and name N ) (resid 31 and name CA ) (resid 31 and name CB ) (resid 31 and name CG ) 1.0 -175.0 150.0 2 assign (resid 31 and name N ) (resid 31 and name CA ) (resid 31 and name CB ) (resid 31 and name CG ) 1.0 -55.0 150.0 2 assign (resid 31 and name N ) (resid 31 and name CA ) (resid 31 and name CB ) (resid 31 and name CG ) 1.0 5.0 160.0 2 assign (resid 31 and name N ) (resid 31 and name CA ) (resid 31 and name CB ) (resid 31 and name CG ) 1.0 70.0 165.0 2 assign (resid 31 and name CA ) (resid 31 and name CB ) (resid 31 and name CG ) (resid 31 and name CD ) 1.0 -165.0 150.0 2 assign (resid 31 and name CA ) (resid 31 and name CB ) (resid 31 and name CG ) (resid 31 and name CD ) 1.0 -110.0 175.0 2 assign (resid 32 and name N ) (resid 32 and name CA ) (resid 32 and name CB ) (resid 32 and name CG ) 1.0 180.0 145.0 2 assign (resid 32 and name N ) (resid 32 and name CA ) (resid 32 and name CB ) (resid 32 and name CG ) 1.0 -65.0 140.0 2 assign (resid 32 and name CA ) (resid 32 and name CB ) (resid 32 and name CG ) (resid 32 and name CD ) 1.0 180.0 145.0 2 assign (resid 34 and name N ) (resid 34 and name CA ) (resid 34 and name CB ) (resid 34 and name CG ) 1.0 180.0 145.0 2 assign (resid 34 and name N ) (resid 34 and name CA ) (resid 34 and name CB ) (resid 34 and name CG ) 1.0 -55.0 150.0 2 assign (resid 34 and name CA ) (resid 34 and name CB ) (resid 34 and name CG ) (resid 34 and name CD ) 1.0 180.0 145.0 2 assign (resid 35 and name N ) (resid 35 and name CA ) (resid 35 and name CB ) (resid 35 and name CG ) 1.0 -175.0 140.0 2 assign (resid 35 and name N ) (resid 35 and name CA ) (resid 35 and name CB ) (resid 35 and name CG ) 1.0 -60.0 145.0 2 assign (resid 36 and name N ) (resid 36 and name CA ) (resid 36 and name CB ) (resid 36 and name CG ) 1.0 180.0 155.0 2 assign (resid 36 and name N ) (resid 36 and name CA ) (resid 36 and name CB ) (resid 36 and name CG ) 1.0 -100.0 165.0 2 assign (resid 36 and name N ) (resid 36 and name CA ) (resid 36 and name CB ) (resid 36 and name CG ) 1.0 -60.0 165.0 2 assign (resid 37 and name N ) (resid 37 and name CA ) (resid 37 and name CB ) (resid 37 and name CG ) 1.0 180.0 145.0 2 assign (resid 37 and name N ) (resid 37 and name CA ) (resid 37 and name CB ) (resid 37 and name CG ) 1.0 -55.0 150.0 2 assign (resid 37 and name CA ) (resid 37 and name CB ) (resid 37 and name CG ) (resid 37 and name CD ) 1.0 180.0 165.0 2 assign (resid 38 and name N ) (resid 38 and name CA ) (resid 38 and name CB ) (resid 38 and name CG ) 1.0 -120.0 85.0 2 assign (resid 38 and name CA ) (resid 38 and name CB ) (resid 38 and name CG ) (resid 38 and name CD ) 1.0 180.0 165.0 2 assign (resid 39 and name CA ) (resid 39 and name CB ) (resid 39 and name CG ) (resid 39 and name CD1 ) 1.0 180.0 155.0 2 assign (resid 39 and name CA ) (resid 39 and name CB ) (resid 39 and name CG ) (resid 39 and name CD1 ) 1.0 0.0 155.0 2 assign (resid 40 and name N ) (resid 40 and name CA ) (resid 40 and name CB ) (resid 40 and name CG ) 1.0 180.0 145.0 2 assign (resid 40 and name N ) (resid 40 and name CA ) (resid 40 and name CB ) (resid 40 and name CG ) 1.0 -55.0 150.0 2 assign (resid 42 and name N ) (resid 42 and name CA ) (resid 42 and name CB ) (resid 42 and name CG ) 1.0 180.0 165.0 2 assign (resid 42 and name N ) (resid 42 and name CA ) (resid 42 and name CB ) (resid 42 and name CG ) 1.0 -55.0 160.0 2 assign (resid 42 and name CA ) (resid 42 and name CB ) (resid 42 and name CG ) (resid 42 and name CD1 ) 1.0 180.0 145.0 2 assign (resid 42 and name CA ) (resid 42 and name CB ) (resid 42 and name CG ) (resid 42 and name CD1 ) 1.0 55.0 150.0 2 assign (resid 42 and name C ) (resid 43 and name N ) (resid 43 and name CA ) (resid 43 and name C ) 1.0 120.0 75.0 2 assign (resid 42 and name C ) (resid 43 and name N ) (resid 43 and name CA ) (resid 43 and name C ) 1.0 -55.0 130.0 2 assign (resid 43 and name N ) (resid 43 and name CA ) (resid 43 and name CB ) (resid 43 and name CG ) 1.0 -175.0 150.0 2 assign (resid 43 and name N ) (resid 43 and name CA ) (resid 43 and name CB ) (resid 43 and name CG ) 1.0 -70.0 125.0 2 assign (resid 43 and name CA ) (resid 43 and name CB ) (resid 43 and name CG ) (resid 43 and name CD ) 1.0 180.0 145.0 2 assign (resid 43 and name N ) (resid 43 and name CA ) (resid 43 and name C ) (resid 44 and name N ) 1.0 70.0 15.0 2 assign (resid 44 and name N ) (resid 44 and name CA ) (resid 44 and name C ) (resid 45 and name N ) 1.0 160.0 35.0 2 assign (resid 44 and name C ) (resid 45 and name N ) (resid 45 and name CA ) (resid 45 and name C ) 1.0 -110.0 65.0 2 assign (resid 45 and name N ) (resid 45 and name CA ) (resid 45 and name CB ) (resid 45 and name CG1 ) 1.0 -110.0 85.0 2 assign (resid 45 and name N ) (resid 45 and name CA ) (resid 45 and name CB ) (resid 45 and name CG1 ) 1.0 65.0 140.0 2 assign (resid 45 and name CA ) (resid 45 and name CB ) (resid 45 and name CG1 ) (resid 45 and name CD1 ) 1.0 180.0 135.0 2 assign (resid 45 and name CA ) (resid 45 and name CB ) (resid 45 and name CG1 ) (resid 45 and name CD1 ) 1.0 55.0 140.0 2 assign (resid 45 and name N ) (resid 45 and name CA ) (resid 45 and name C ) (resid 46 and name N ) 1.0 40.0 125.0 2 assign (resid 45 and name C ) (resid 46 and name N ) (resid 46 and name CA ) (resid 46 and name C ) 1.0 180.0 135.0 2 assign (resid 45 and name C ) (resid 46 and name N ) (resid 46 and name CA ) (resid 46 and name C ) 1.0 -55.0 130.0 2 assign (resid 46 and name N ) (resid 46 and name CA ) (resid 46 and name C ) (resid 47 and name N ) 1.0 60.0 145.0 2 assign (resid 46 and name C ) (resid 47 and name N ) (resid 47 and name CA ) (resid 47 and name C ) 1.0 180.0 135.0 2 assign (resid 47 and name N ) (resid 47 and name CA ) (resid 47 and name C ) (resid 48 and name N ) 1.0 0.0 115.0 2 assign (resid 47 and name C ) (resid 48 and name N ) (resid 48 and name CA ) (resid 48 and name C ) 1.0 180.0 135.0 2 assign (resid 47 and name C ) (resid 48 and name N ) (resid 48 and name CA ) (resid 48 and name C ) 1.0 -55.0 130.0 2 assign (resid 48 and name N ) (resid 48 and name CA ) (resid 48 and name CB ) (resid 48 and name CG ) 1.0 180.0 155.0 2 assign (resid 48 and name N ) (resid 48 and name CA ) (resid 48 and name CB ) (resid 48 and name CG ) 1.0 -55.0 150.0 2 assign (resid 48 and name CA ) (resid 48 and name CB ) (resid 48 and name CG ) (resid 48 and name CD1 ) 1.0 180.0 155.0 2 assign (resid 48 and name CA ) (resid 48 and name CB ) (resid 48 and name CG ) (resid 48 and name CD1 ) 1.0 0.0 155.0 2 assign (resid 48 and name N ) (resid 48 and name CA ) (resid 48 and name C ) (resid 49 and name N ) 1.0 -120.0 165.0 2 assign (resid 48 and name N ) (resid 48 and name CA ) (resid 48 and name C ) (resid 49 and name N ) 1.0 95.0 100.0 2 assign (resid 48 and name C ) (resid 49 and name N ) (resid 49 and name CA ) (resid 49 and name C ) 1.0 -175.0 130.0 2 assign (resid 48 and name C ) (resid 49 and name N ) (resid 49 and name CA ) (resid 49 and name C ) 1.0 -45.0 120.0 2 assign (resid 49 and name N ) (resid 49 and name CA ) (resid 49 and name CB ) (resid 49 and name CG1 ) 1.0 180.0 155.0 2 assign (resid 49 and name N ) (resid 49 and name CA ) (resid 49 and name CB ) (resid 49 and name CG1 ) 1.0 20.0 65.0 2 assign (resid 49 and name CA ) (resid 49 and name CB ) (resid 49 and name CG1 ) (resid 49 and name CD1 ) 1.0 -175.0 130.0 2 assign (resid 49 and name CA ) (resid 49 and name CB ) (resid 49 and name CG1 ) (resid 49 and name CD1 ) 1.0 65.0 130.0 2 assign (resid 49 and name N ) (resid 49 and name CA ) (resid 49 and name C ) (resid 50 and name N ) 1.0 155.0 40.0 2 assign (resid 49 and name C ) (resid 50 and name N ) (resid 50 and name CA ) (resid 50 and name C ) 1.0 180.0 135.0 2 assign (resid 49 and name C ) (resid 50 and name N ) (resid 50 and name CA ) (resid 50 and name C ) 1.0 -60.0 125.0 2 assign (resid 50 and name N ) (resid 50 and name CA ) (resid 50 and name CB ) (resid 50 and name OG1 ) 1.0 -60.0 155.0 2 assign (resid 50 and name N ) (resid 50 and name CA ) (resid 50 and name CB ) (resid 50 and name OG1 ) 1.0 70.0 135.0 2 assign (resid 50 and name N ) (resid 50 and name CA ) (resid 50 and name C ) (resid 51 and name N ) 1.0 100.0 95.0 2 assign (resid 50 and name N ) (resid 50 and name CA ) (resid 50 and name C ) (resid 51 and name N ) 1.0 -130.0 145.0 2 assign (resid 52 and name N ) (resid 52 and name CA ) (resid 52 and name CB ) (resid 52 and name CG ) 1.0 -175.0 150.0 2 assign (resid 52 and name N ) (resid 52 and name CA ) (resid 52 and name CB ) (resid 52 and name CG ) 1.0 -60.0 165.0 2 assign (resid 53 and name N ) (resid 53 and name CA ) (resid 53 and name CB ) (resid 53 and name CG ) 1.0 180.0 145.0 2 assign (resid 53 and name N ) (resid 53 and name CA ) (resid 53 and name CB ) (resid 53 and name CG ) 1.0 -55.0 150.0 2 assign (resid 53 and name CA ) (resid 53 and name CB ) (resid 53 and name CG ) (resid 53 and name CD ) 1.0 180.0 165.0 2 assign (resid 55 and name N ) (resid 55 and name CA ) (resid 55 and name CB ) (resid 55 and name CG ) 1.0 180.0 145.0 2 assign (resid 55 and name N ) (resid 55 and name CA ) (resid 55 and name CB ) (resid 55 and name CG ) 1.0 -65.0 140.0 2 assign (resid 55 and name CA ) (resid 55 and name CB ) (resid 55 and name CG ) (resid 55 and name CD ) 1.0 180.0 145.0 2 assign (resid 56 and name N ) (resid 56 and name CA ) (resid 56 and name CB ) (resid 56 and name CG ) 1.0 -120.0 95.0 2 assign (resid 56 and name CA ) (resid 56 and name CB ) (resid 56 and name CG ) (resid 56 and name OD1 ) 1.0 0.0 145.0 2 assign (resid 57 and name N ) (resid 57 and name CA ) (resid 57 and name CB ) (resid 57 and name CG ) 1.0 -175.0 10.0 2 assign (resid 57 and name CA ) (resid 57 and name CB ) (resid 57 and name CG ) (resid 57 and name CD1 ) 1.0 -85.0 20.0 2 assign (resid 58 and name N ) (resid 58 and name CA ) (resid 58 and name CB ) (resid 58 and name CG ) 1.0 180.0 155.0 2 assign (resid 58 and name N ) (resid 58 and name CA ) (resid 58 and name CB ) (resid 58 and name CG ) 1.0 -55.0 150.0 2 assign (resid 58 and name CA ) (resid 58 and name CB ) (resid 58 and name CG ) (resid 58 and name CD1 ) 1.0 180.0 155.0 2 assign (resid 58 and name CA ) (resid 58 and name CB ) (resid 58 and name CG ) (resid 58 and name CD1 ) 1.0 5.0 150.0 2 assign (resid 59 and name N ) (resid 59 and name CA ) (resid 59 and name CB ) (resid 59 and name CG ) 1.0 -145.0 60.0 2 assign (resid 59 and name CA ) (resid 59 and name CB ) (resid 59 and name CG ) (resid 59 and name CD1 ) 1.0 180.0 155.0 2 assign (resid 59 and name CA ) (resid 59 and name CB ) (resid 59 and name CG ) (resid 59 and name CD1 ) 1.0 0.0 155.0 2 assign (resid 60 and name N ) (resid 60 and name CA ) (resid 60 and name CB ) (resid 60 and name CG ) 1.0 -175.0 150.0 2 assign (resid 60 and name N ) (resid 60 and name CA ) (resid 60 and name CB ) (resid 60 and name CG ) 1.0 -55.0 150.0 2 assign (resid 60 and name CA ) (resid 60 and name CB ) (resid 60 and name CG ) (resid 60 and name CD ) 1.0 180.0 165.0 2 assign (resid 61 and name C ) (resid 62 and name N ) (resid 62 and name CA ) (resid 62 and name C ) 1.0 180.0 135.0 2 assign (resid 62 and name N ) (resid 62 and name CA ) (resid 62 and name C ) (resid 63 and name N ) 1.0 0.0 105.0 2 assign (resid 62 and name C ) (resid 63 and name N ) (resid 63 and name CA ) (resid 63 and name C ) 1.0 -175.0 130.0 2 assign (resid 62 and name C ) (resid 63 and name N ) (resid 63 and name CA ) (resid 63 and name C ) 1.0 -50.0 115.0 2 assign (resid 63 and name N ) (resid 63 and name CA ) (resid 63 and name CB ) (resid 63 and name CG ) 1.0 -80.0 45.0 2 assign (resid 63 and name CA ) (resid 63 and name CB ) (resid 63 and name CG ) (resid 63 and name CD1 ) 1.0 120.0 75.0 2 assign (resid 63 and name N ) (resid 63 and name CA ) (resid 63 and name C ) (resid 64 and name N ) 1.0 120.0 45.0 2 assign (resid 63 and name N ) (resid 63 and name CA ) (resid 63 and name C ) (resid 64 and name N ) 1.0 -65.0 150.0 2 assign (resid 64 and name N ) (resid 64 and name CA ) (resid 64 and name C ) (resid 65 and name N ) 1.0 160.0 35.0 2 assign (resid 64 and name C ) (resid 65 and name N ) (resid 65 and name CA ) (resid 65 and name C ) 1.0 180.0 135.0 2 assign (resid 64 and name C ) (resid 65 and name N ) (resid 65 and name CA ) (resid 65 and name C ) 1.0 -55.0 130.0 2 assign (resid 65 and name N ) (resid 65 and name CA ) (resid 65 and name CB ) (resid 65 and name CG ) 1.0 180.0 155.0 2 assign (resid 65 and name N ) (resid 65 and name CA ) (resid 65 and name CB ) (resid 65 and name CG ) 1.0 -55.0 140.0 2 assign (resid 65 and name CA ) (resid 65 and name CB ) (resid 65 and name CG ) (resid 65 and name CD ) 1.0 -175.0 160.0 2 assign (resid 66 and name C ) (resid 67 and name N ) (resid 67 and name CA ) (resid 67 and name C ) 1.0 -100.0 55.0 2 assign (resid 67 and name N ) (resid 67 and name CA ) (resid 67 and name CB ) (resid 67 and name CG1 ) 1.0 -175.0 20.0 2 assign (resid 67 and name N ) (resid 67 and name CA ) (resid 67 and name C ) (resid 68 and name N ) 1.0 -40.0 45.0 2 assign (resid 68 and name N ) (resid 68 and name CA ) (resid 68 and name CB ) (resid 68 and name CG ) 1.0 -120.0 85.0 2 assign (resid 68 and name CA ) (resid 68 and name CB ) (resid 68 and name CG ) (resid 68 and name CD1 ) 1.0 180.0 145.0 2 assign (resid 68 and name CA ) (resid 68 and name CB ) (resid 68 and name CG ) (resid 68 and name CD1 ) 1.0 60.0 145.0 2 assign (resid 70 and name N ) (resid 70 and name CA ) (resid 70 and name CB ) (resid 70 and name CG ) 1.0 -150.0 55.0 2 assign (resid 70 and name N ) (resid 70 and name CA ) (resid 70 and name CB ) (resid 70 and name CG ) 1.0 0.0 175.0 2 assign (resid 70 and name CA ) (resid 70 and name CB ) (resid 70 and name CG ) (resid 70 and name CD ) 1.0 180.0 145.0 2 assign (resid 71 and name N ) (resid 71 and name CA ) (resid 71 and name CB ) (resid 71 and name CG1 ) 1.0 -55.0 20.0 2 assign (resid 71 and name CA ) (resid 71 and name CB ) (resid 71 and name CG1 ) (resid 71 and name CD1 ) 1.0 -165.0 120.0 2 assign (resid 71 and name CA ) (resid 71 and name CB ) (resid 71 and name CG1 ) (resid 71 and name CD1 ) 1.0 55.0 140.0 2 assign (resid 72 and name N ) (resid 72 and name CA ) (resid 72 and name CB ) (resid 72 and name CG ) 1.0 -145.0 60.0 2 assign (resid 72 and name CA ) (resid 72 and name CB ) (resid 72 and name CG ) (resid 72 and name CD1 ) 1.0 0.0 145.0 2 assign (resid 74 and name N ) (resid 74 and name CA ) (resid 74 and name CB ) (resid 74 and name CG ) 1.0 -85.0 60.0 2 assign (resid 74 and name CA ) (resid 74 and name CB ) (resid 74 and name CG ) (resid 74 and name CD1 ) 1.0 180.0 125.0 2 assign (resid 74 and name CA ) (resid 74 and name CB ) (resid 74 and name CG ) (resid 74 and name CD1 ) 1.0 50.0 145.0 2 assign (resid 75 and name C ) (resid 76 and name N ) (resid 76 and name CA ) (resid 76 and name C ) 1.0 175.0 130.0 2 assign (resid 75 and name C ) (resid 76 and name N ) (resid 76 and name CA ) (resid 76 and name C ) 1.0 -60.0 125.0 2 assign (resid 76 and name N ) (resid 76 and name CA ) (resid 76 and name CB ) (resid 76 and name CG ) 1.0 -170.0 155.0 2 assign (resid 76 and name N ) (resid 76 and name CA ) (resid 76 and name CB ) (resid 76 and name CG ) 1.0 -80.0 135.0 2 assign (resid 76 and name N ) (resid 76 and name CA ) (resid 76 and name C ) (resid 77 and name N ) 1.0 80.0 75.0 2 assign (resid 77 and name N ) (resid 77 and name CA ) (resid 77 and name CB ) (resid 77 and name CG ) 1.0 180.0 145.0 2 assign (resid 77 and name N ) (resid 77 and name CA ) (resid 77 and name CB ) (resid 77 and name CG ) 1.0 -35.0 110.0 2 assign (resid 77 and name CA ) (resid 77 and name CB ) (resid 77 and name CG ) (resid 77 and name SD ) 1.0 180.0 135.0 2 assign (resid 78 and name N ) (resid 78 and name CA ) (resid 78 and name CB ) (resid 78 and name CG ) 1.0 -50.0 155.0 2 assign (resid 78 and name CA ) (resid 78 and name CB ) (resid 78 and name CG ) (resid 78 and name OD1 ) 1.0 0.0 145.0 2 assign (resid 78 and name C ) (resid 79 and name N ) (resid 79 and name CA ) (resid 79 and name C ) 1.0 180.0 135.0 2 assign (resid 78 and name C ) (resid 79 and name N ) (resid 79 and name CA ) (resid 79 and name C ) 1.0 -55.0 130.0 2 assign (resid 79 and name N ) (resid 79 and name CA ) (resid 79 and name CB ) (resid 79 and name CG ) 1.0 180.0 165.0 2 assign (resid 79 and name N ) (resid 79 and name CA ) (resid 79 and name CB ) (resid 79 and name CG ) 1.0 -55.0 170.0 2 assign (resid 79 and name CA ) (resid 79 and name CB ) (resid 79 and name CG ) (resid 79 and name OD1 ) 1.0 0.0 145.0 2 assign (resid 79 and name N ) (resid 79 and name CA ) (resid 79 and name C ) (resid 80 and name N ) 1.0 110.0 85.0 2 assign (resid 79 and name C ) (resid 80 and name N ) (resid 80 and name CA ) (resid 80 and name C ) 1.0 180.0 135.0 2 assign (resid 79 and name C ) (resid 80 and name N ) (resid 80 and name CA ) (resid 80 and name C ) 1.0 -55.0 130.0 2 assign (resid 80 and name N ) (resid 80 and name CA ) (resid 80 and name CB ) (resid 80 and name CG ) 1.0 -55.0 170.0 2 assign (resid 80 and name N ) (resid 80 and name CA ) (resid 80 and name C ) (resid 81 and name N ) 1.0 0.0 85.0 2 assign (resid 80 and name C ) (resid 81 and name N ) (resid 81 and name CA ) (resid 81 and name C ) 1.0 180.0 135.0 2 assign (resid 81 and name N ) (resid 81 and name CA ) (resid 81 and name C ) (resid 82 and name N ) 1.0 0.0 115.0 2 assign (resid 81 and name C ) (resid 82 and name N ) (resid 82 and name CA ) (resid 82 and name C ) 1.0 180.0 135.0 2 assign (resid 81 and name C ) (resid 82 and name N ) (resid 82 and name CA ) (resid 82 and name C ) 1.0 -55.0 130.0 2 assign (resid 82 and name N ) (resid 82 and name CA ) (resid 82 and name CB ) (resid 82 and name CG ) 1.0 180.0 155.0 2 assign (resid 82 and name N ) (resid 82 and name CA ) (resid 82 and name CB ) (resid 82 and name CG ) 1.0 -50.0 145.0 2 assign (resid 82 and name CA ) (resid 82 and name CB ) (resid 82 and name CG ) (resid 82 and name CD ) 1.0 180.0 145.0 2 assign (resid 82 and name N ) (resid 82 and name CA ) (resid 82 and name C ) (resid 83 and name N ) 1.0 -115.0 110.0 2 assign (resid 82 and name N ) (resid 82 and name CA ) (resid 82 and name C ) (resid 83 and name N ) 1.0 55.0 140.0 2 assign (resid 82 and name C ) (resid 83 and name N ) (resid 83 and name CA ) (resid 83 and name C ) 1.0 180.0 135.0 2 assign (resid 82 and name C ) (resid 83 and name N ) (resid 83 and name CA ) (resid 83 and name C ) 1.0 -55.0 130.0 2 assign (resid 83 and name N ) (resid 83 and name CA ) (resid 83 and name CB ) (resid 83 and name CG ) 1.0 180.0 155.0 2 assign (resid 83 and name N ) (resid 83 and name CA ) (resid 83 and name CB ) (resid 83 and name CG ) 1.0 -55.0 150.0 2 assign (resid 83 and name CA ) (resid 83 and name CB ) (resid 83 and name CG ) (resid 83 and name SD ) 1.0 180.0 135.0 2 assign (resid 83 and name N ) (resid 83 and name CA ) (resid 83 and name C ) (resid 84 and name N ) 1.0 105.0 90.0 2 assign (resid 83 and name C ) (resid 84 and name N ) (resid 84 and name CA ) (resid 84 and name C ) 1.0 180.0 135.0 2 assign (resid 83 and name C ) (resid 84 and name N ) (resid 84 and name CA ) (resid 84 and name C ) 1.0 -55.0 130.0 2 assign (resid 84 and name N ) (resid 84 and name CA ) (resid 84 and name CB ) (resid 84 and name CG ) 1.0 -50.0 155.0 2 assign (resid 84 and name N ) (resid 84 and name CA ) (resid 84 and name C ) (resid 85 and name N ) 1.0 -120.0 115.0 2 assign (resid 84 and name N ) (resid 84 and name CA ) (resid 84 and name C ) (resid 85 and name N ) 1.0 60.0 145.0 2 assign (resid 85 and name N ) (resid 85 and name CA ) (resid 85 and name CB ) (resid 85 and name CG ) 1.0 180.0 145.0 2 assign (resid 85 and name N ) (resid 85 and name CA ) (resid 85 and name CB ) (resid 85 and name CG ) 1.0 -55.0 150.0 2 assign (resid 85 and name CA ) (resid 85 and name CB ) (resid 85 and name CG ) (resid 85 and name CD ) 1.0 180.0 165.0 2 assign (resid 86 and name N ) (resid 86 and name CA ) (resid 86 and name CB ) (resid 86 and name CG1 ) 1.0 125.0 80.0 2 assign (resid 86 and name N ) (resid 86 and name CA ) (resid 86 and name CB ) (resid 86 and name CG1 ) 1.0 -65.0 130.0 2 assign (resid 87 and name N ) (resid 87 and name CA ) (resid 87 and name CB ) (resid 87 and name CG ) 1.0 180.0 145.0 2 assign (resid 87 and name N ) (resid 87 and name CA ) (resid 87 and name CB ) (resid 87 and name CG ) 1.0 -55.0 150.0 2 assign (resid 87 and name CA ) (resid 87 and name CB ) (resid 87 and name CG ) (resid 87 and name CD ) 1.0 180.0 165.0 2 assign (resid 88 and name N ) (resid 88 and name CA ) (resid 88 and name CB ) (resid 88 and name CG ) 1.0 -175.0 140.0 2 assign (resid 88 and name N ) (resid 88 and name CA ) (resid 88 and name CB ) (resid 88 and name CG ) 1.0 -55.0 150.0 2 assign (resid 88 and name CA ) (resid 88 and name CB ) (resid 88 and name CG ) (resid 88 and name CD1 ) 1.0 180.0 155.0 2 assign (resid 88 and name CA ) (resid 88 and name CB ) (resid 88 and name CG ) (resid 88 and name CD1 ) 1.0 0.0 155.0 2 assign (resid 90 and name N ) (resid 90 and name CA ) (resid 90 and name CB ) (resid 90 and name CG1 ) 1.0 -175.0 150.0 2 assign (resid 90 and name N ) (resid 90 and name CA ) (resid 90 and name CB ) (resid 90 and name CG1 ) 1.0 -55.0 140.0 2 assign (resid 90 and name N ) (resid 90 and name CA ) (resid 90 and name CB ) (resid 90 and name CG1 ) 1.0 65.0 140.0 2 assign (resid 90 and name CA ) (resid 90 and name CB ) (resid 90 and name CG1 ) (resid 90 and name CD1 ) 1.0 180.0 135.0 2 assign (resid 90 and name CA ) (resid 90 and name CB ) (resid 90 and name CG1 ) (resid 90 and name CD1 ) 1.0 55.0 140.0 2 assign (resid 91 and name C ) (resid 92 and name N ) (resid 92 and name CA ) (resid 92 and name C ) 1.0 180.0 135.0 2 assign (resid 91 and name C ) (resid 92 and name N ) (resid 92 and name CA ) (resid 92 and name C ) 1.0 -55.0 130.0 2 assign (resid 92 and name N ) (resid 92 and name CA ) (resid 92 and name CB ) (resid 92 and name CG ) 1.0 180.0 155.0 2 assign (resid 92 and name N ) (resid 92 and name CA ) (resid 92 and name CB ) (resid 92 and name CG ) 1.0 -55.0 150.0 2 assign (resid 92 and name CA ) (resid 92 and name CB ) (resid 92 and name CG ) (resid 92 and name SD ) 1.0 180.0 135.0 2 assign (resid 92 and name N ) (resid 92 and name CA ) (resid 92 and name C ) (resid 93 and name N ) 1.0 55.0 140.0 2 assign (resid 93 and name N ) (resid 93 and name CA ) (resid 93 and name CB ) (resid 93 and name CG ) 1.0 -175.0 150.0 2 assign (resid 93 and name N ) (resid 93 and name CA ) (resid 93 and name CB ) (resid 93 and name CG ) 1.0 -55.0 150.0 2 assign (resid 93 and name CA ) (resid 93 and name CB ) (resid 93 and name CG ) (resid 93 and name CD ) 1.0 180.0 145.0 2 assign (resid 94 and name N ) (resid 94 and name CA ) (resid 94 and name CB ) (resid 94 and name CG ) 1.0 -110.0 85.0 2 assign (resid 94 and name CA ) (resid 94 and name CB ) (resid 94 and name CG ) (resid 94 and name CD1 ) 1.0 180.0 145.0 2 assign (resid 94 and name CA ) (resid 94 and name CB ) (resid 94 and name CG ) (resid 94 and name CD1 ) 1.0 55.0 150.0 2 assign (resid 95 and name N ) (resid 95 and name CA ) (resid 95 and name CB ) (resid 95 and name CG1 ) 1.0 -55.0 20.0 2 assign (resid 95 and name CA ) (resid 95 and name CB ) (resid 95 and name CG1 ) (resid 95 and name CD1 ) 1.0 -165.0 120.0 2 assign (resid 95 and name CA ) (resid 95 and name CB ) (resid 95 and name CG1 ) (resid 95 and name CD1 ) 1.0 55.0 140.0 2 assign (resid 96 and name N ) (resid 96 and name CA ) (resid 96 and name CB ) (resid 96 and name CG ) 1.0 -145.0 60.0 2 assign (resid 96 and name CA ) (resid 96 and name CB ) (resid 96 and name CG ) (resid 96 and name CD ) 1.0 180.0 145.0 2 assign (resid 97 and name N ) (resid 97 and name CA ) (resid 97 and name CB ) (resid 97 and name CG ) 1.0 -175.0 150.0 2 assign (resid 97 and name N ) (resid 97 and name CA ) (resid 97 and name CB ) (resid 97 and name CG ) 1.0 -55.0 160.0 2 assign (resid 97 and name CA ) (resid 97 and name CB ) (resid 97 and name CG ) (resid 97 and name CD1 ) 1.0 180.0 145.0 2 assign (resid 97 and name CA ) (resid 97 and name CB ) (resid 97 and name CG ) (resid 97 and name CD1 ) 1.0 55.0 150.0 2 assign (resid 98 and name N ) (resid 98 and name CA ) (resid 98 and name CB ) (resid 98 and name CG ) 1.0 -175.0 140.0 2 assign (resid 98 and name N ) (resid 98 and name CA ) (resid 98 and name CB ) (resid 98 and name CG ) 1.0 -75.0 130.0 2 assign (resid 98 and name CA ) (resid 98 and name CB ) (resid 98 and name CG ) (resid 98 and name CD ) 1.0 180.0 145.0 2 assign (resid 99 and name N ) (resid 99 and name CA ) (resid 99 and name CB ) (resid 99 and name CG ) 1.0 -175.0 150.0 2 assign (resid 99 and name N ) (resid 99 and name CA ) (resid 99 and name CB ) (resid 99 and name CG ) 1.0 -55.0 160.0 2 assign (resid 99 and name CA ) (resid 99 and name CB ) (resid 99 and name CG ) (resid 99 and name CD1 ) 1.0 180.0 145.0 2 assign (resid 99 and name CA ) (resid 99 and name CB ) (resid 99 and name CG ) (resid 99 and name CD1 ) 1.0 55.0 150.0 2 assign (resid 100 and name N ) (resid 100 and name CA ) (resid 100 and name CB ) (resid 100 and name CG ) 1.0 -175.0 150.0 2 assign (resid 100 and name N ) (resid 100 and name CA ) (resid 100 and name CB ) (resid 100 and name CG ) 1.0 -55.0 150.0 2 assign (resid 100 and name CA ) (resid 100 and name CB ) (resid 100 and name CG ) (resid 100 and name CD ) 1.0 180.0 165.0 2 assign (resid 100 and name C ) (resid 101 and name N ) (resid 101 and name CA ) (resid 101 and name C ) 1.0 180.0 135.0 2 assign (resid 101 and name N ) (resid 101 and name CA ) (resid 101 and name C ) (resid 102 and name N ) 1.0 0.0 115.0 2 assign (resid 101 and name C ) (resid 102 and name N ) (resid 102 and name CA ) (resid 102 and name C ) 1.0 -115.0 70.0 2 assign (resid 102 and name N ) (resid 102 and name CA ) (resid 102 and name CB ) (resid 102 and name CG ) 1.0 -175.0 150.0 2 assign (resid 102 and name N ) (resid 102 and name CA ) (resid 102 and name CB ) (resid 102 and name CG ) 1.0 -35.0 120.0 2 assign (resid 102 and name CA ) (resid 102 and name CB ) (resid 102 and name CG ) (resid 102 and name CD1 ) 1.0 180.0 155.0 2 assign (resid 102 and name CA ) (resid 102 and name CB ) (resid 102 and name CG ) (resid 102 and name CD1 ) 1.0 0.0 155.0 2 assign (resid 102 and name N ) (resid 102 and name CA ) (resid 102 and name C ) (resid 103 and name N ) 1.0 170.0 25.0 2 assign (resid 102 and name C ) (resid 103 and name N ) (resid 103 and name CA ) (resid 103 and name C ) 1.0 180.0 135.0 2 assign (resid 102 and name C ) (resid 103 and name N ) (resid 103 and name CA ) (resid 103 and name C ) 1.0 -55.0 130.0 2 assign (resid 103 and name N ) (resid 103 and name CA ) (resid 103 and name CB ) (resid 103 and name CG ) 1.0 180.0 155.0 2 assign (resid 103 and name N ) (resid 103 and name CA ) (resid 103 and name CB ) (resid 103 and name CG ) 1.0 -55.0 150.0 2 assign (resid 103 and name CA ) (resid 103 and name CB ) (resid 103 and name CG ) (resid 103 and name CD ) 1.0 180.0 165.0 2 assign (resid 103 and name N ) (resid 103 and name CA ) (resid 103 and name C ) (resid 104 and name N ) 1.0 55.0 140.0 2 assign (resid 103 and name C ) (resid 104 and name N ) (resid 104 and name CA ) (resid 104 and name C ) 1.0 180.0 135.0 2 assign (resid 103 and name C ) (resid 104 and name N ) (resid 104 and name CA ) (resid 104 and name C ) 1.0 -55.0 130.0 2 assign (resid 104 and name N ) (resid 104 and name CA ) (resid 104 and name CB ) (resid 104 and name CG ) 1.0 180.0 175.0 2 assign (resid 104 and name N ) (resid 104 and name CA ) (resid 104 and name CB ) (resid 104 and name CG ) 1.0 -55.0 140.0 2 assign (resid 104 and name CA ) (resid 104 and name CB ) (resid 104 and name CG ) (resid 104 and name CD1 ) 1.0 180.0 145.0 2 assign (resid 104 and name CA ) (resid 104 and name CB ) (resid 104 and name CG ) (resid 104 and name CD1 ) 1.0 55.0 150.0 2 assign (resid 104 and name N ) (resid 104 and name CA ) (resid 104 and name C ) (resid 105 and name N ) 1.0 110.0 55.0 2 assign (resid 104 and name N ) (resid 104 and name CA ) (resid 104 and name C ) (resid 105 and name N ) 1.0 -65.0 150.0 2 assign (resid 105 and name N ) (resid 105 and name CA ) (resid 105 and name C ) (resid 106 and name N ) 1.0 160.0 35.0 2 assign (resid 105 and name C ) (resid 106 and name N ) (resid 106 and name CA ) (resid 106 and name C ) 1.0 -175.0 130.0 2 assign (resid 105 and name C ) (resid 106 and name N ) (resid 106 and name CA ) (resid 106 and name C ) 1.0 -60.0 125.0 2 assign (resid 106 and name N ) (resid 106 and name CA ) (resid 106 and name C ) (resid 107 and name N ) 1.0 -25.0 60.0 2 assign (resid 106 and name C ) (resid 107 and name N ) (resid 107 and name CA ) (resid 107 and name C ) 1.0 180.0 135.0 2 assign (resid 106 and name C ) (resid 107 and name N ) (resid 107 and name CA ) (resid 107 and name C ) 1.0 -55.0 130.0 2 assign (resid 107 and name N ) (resid 107 and name CA ) (resid 107 and name C ) (resid 108 and name N ) 1.0 105.0 100.0 2 assign (resid 107 and name C ) (resid 108 and name N ) (resid 108 and name CA ) (resid 108 and name C ) 1.0 180.0 135.0 2 assign (resid 107 and name C ) (resid 108 and name N ) (resid 108 and name CA ) (resid 108 and name C ) 1.0 -60.0 125.0 2 assign (resid 108 and name N ) (resid 108 and name CA ) (resid 108 and name CB ) (resid 108 and name CG ) 1.0 180.0 175.0 2 assign (resid 108 and name N ) (resid 108 and name CA ) (resid 108 and name CB ) (resid 108 and name CG ) 1.0 -55.0 140.0 2 assign (resid 108 and name N ) (resid 108 and name CA ) (resid 108 and name CB ) (resid 108 and name CG ) 1.0 40.0 175.0 2 assign (resid 108 and name CA ) (resid 108 and name CB ) (resid 108 and name CG ) (resid 108 and name CD1 ) 1.0 180.0 145.0 2 assign (resid 108 and name CA ) (resid 108 and name CB ) (resid 108 and name CG ) (resid 108 and name CD1 ) 1.0 50.0 145.0 2 assign (resid 108 and name N ) (resid 108 and name CA ) (resid 108 and name C ) (resid 109 and name N ) 1.0 110.0 55.0 2 assign (resid 108 and name N ) (resid 108 and name CA ) (resid 108 and name C ) (resid 109 and name N ) 1.0 -65.0 150.0 2 assign (resid 109 and name N ) (resid 109 and name CA ) (resid 109 and name C ) (resid 110 and name N ) 1.0 165.0 10.0 2 assign (resid 110 and name N ) (resid 110 and name CA ) (resid 110 and name C ) (resid 111 and name N ) 1.0 -120.0 115.0 2 assign (resid 110 and name N ) (resid 110 and name CA ) (resid 110 and name C ) (resid 111 and name N ) 1.0 70.0 125.0 2 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -13.909 11.377 -5.471 2 H2 MET 1 H2 MET 1 -13.476 12.987 -5.150 3 H3 MET 1 H3 MET 1 -15.014 12.629 -5.767 4 HA MET 1 HA MET 1 -14.027 11.716 -3.134 5 HB2 MET 1 HB2 MET 1 -14.249 14.113 -3.058 6 HB3 MET 1 HB3 MET 1 -15.788 14.050 -3.905 7 HG2 MET 1 HG2 MET 1 -16.751 12.845 -1.972 8 HG3 MET 1 HG3 MET 1 -15.222 13.062 -1.122 9 HE1 MET 1 HE1 MET 1 -18.207 13.988 -0.156 10 HE2 MET 1 HE2 MET 1 -17.789 15.514 0.623 11 HE3 MET 1 HE3 MET 1 -16.760 14.098 0.843 12 H GLY 2 H GLY 2 -15.324 10.213 -2.196 13 HA2 GLY 2 HA2 GLY 2 -17.485 9.470 -1.533 14 HA3 GLY 2 HA3 GLY 2 -18.135 10.102 -3.034 15 H HIS 3 H HIS 3 -15.596 7.769 -2.121 16 HA HIS 3 HA HIS 3 -15.310 5.581 -2.567 17 HB2 HIS 3 HB2 HIS 3 -18.237 5.733 -3.259 18 HB3 HIS 3 HB3 HIS 3 -17.320 4.232 -3.311 19 HD1 HIS 3 HD1 HIS 3 -19.170 6.425 -1.056 20 HD2 HIS 3 HD2 HIS 3 -16.302 3.433 -0.707 21 HE1 HIS 3 HE1 HIS 3 -19.236 5.695 1.349 22 HE2 HIS 3 HE2 HIS 3 -17.678 3.720 1.460 23 H HIS 4 H HIS 4 -14.891 4.088 -4.187 24 HA HIS 4 HA HIS 4 -15.764 4.272 -6.848 25 HB2 HIS 4 HB2 HIS 4 -13.829 5.034 -8.020 26 HB3 HIS 4 HB3 HIS 4 -14.152 6.244 -6.786 27 HD1 HIS 4 HD1 HIS 4 -11.408 4.696 -8.272 28 HD2 HIS 4 HD2 HIS 4 -12.449 5.422 -4.314 29 HE1 HIS 4 HE1 HIS 4 -9.269 4.562 -6.976 30 HE2 HIS 4 HE2 HIS 4 -9.965 4.740 -4.562 31 H HIS 5 H HIS 5 -14.867 2.503 -8.128 32 HA HIS 5 HA HIS 5 -12.977 0.734 -6.848 33 HB2 HIS 5 HB2 HIS 5 -15.070 0.121 -5.695 34 HB3 HIS 5 HB3 HIS 5 -15.829 -0.200 -7.252 35 HD1 HIS 5 HD1 HIS 5 -15.730 -2.551 -8.008 36 HD2 HIS 5 HD2 HIS 5 -12.710 -1.668 -5.287 37 HE1 HIS 5 HE1 HIS 5 -14.537 -4.724 -7.590 38 HE2 HIS 5 HE2 HIS 5 -12.554 -4.094 -6.172 39 H HIS 6 H HIS 6 -11.699 0.168 -8.456 40 HA HIS 6 HA HIS 6 -12.950 -0.908 -10.888 41 HB2 HIS 6 HB2 HIS 6 -10.643 1.049 -10.857 42 HB3 HIS 6 HB3 HIS 6 -11.146 0.128 -12.268 43 HD1 HIS 6 HD1 HIS 6 -13.591 0.701 -13.207 44 HD2 HIS 6 HD2 HIS 6 -12.018 3.362 -10.427 45 HE1 HIS 6 HE1 HIS 6 -14.969 2.799 -13.418 46 HE2 HIS 6 HE2 HIS 6 -14.039 4.381 -11.678 47 H HIS 7 H HIS 7 -12.490 -3.006 -10.214 48 HA HIS 7 HA HIS 7 -9.750 -3.703 -9.578 49 HB2 HIS 7 HB2 HIS 7 -11.572 -4.921 -8.453 50 HB3 HIS 7 HB3 HIS 7 -12.149 -5.507 -10.010 51 HD1 HIS 7 HD1 HIS 7 -11.714 -7.974 -9.761 52 HD2 HIS 7 HD2 HIS 7 -8.378 -5.658 -8.846 53 HE1 HIS 7 HE1 HIS 7 -9.815 -9.599 -9.464 54 HE2 HIS 7 HE2 HIS 7 -7.765 -8.153 -9.201 55 H HIS 8 H HIS 8 -8.820 -2.912 -11.519 56 HA HIS 8 HA HIS 8 -9.457 -4.352 -13.968 57 HB2 HIS 8 HB2 HIS 8 -9.051 -1.856 -13.923 58 HB3 HIS 8 HB3 HIS 8 -7.364 -2.209 -13.568 59 HD1 HIS 8 HD1 HIS 8 -9.876 -2.288 -16.324 60 HD2 HIS 8 HD2 HIS 8 -5.872 -3.210 -15.725 61 HE1 HIS 8 HE1 HIS 8 -8.911 -2.612 -18.619 62 HE2 HIS 8 HE2 HIS 8 -6.445 -2.977 -18.240 63 H SER 9 H SER 9 -8.579 -6.275 -14.176 64 HA SER 9 HA SER 9 -5.835 -6.707 -13.226 65 HB2 SER 9 HB2 SER 9 -7.930 -8.767 -13.968 66 HB3 SER 9 HB3 SER 9 -6.369 -9.077 -13.204 67 HG SER 9 HG SER 9 -7.126 -8.426 -11.330 68 H HIS 10 H HIS 10 -4.625 -5.988 -14.923 69 HA HIS 10 HA HIS 10 -4.833 -7.600 -17.361 70 HB2 HIS 10 HB2 HIS 10 -5.785 -5.410 -17.911 71 HB3 HIS 10 HB3 HIS 10 -4.339 -4.613 -17.300 72 HD1 HIS 10 HD1 HIS 10 -2.446 -4.291 -18.900 73 HD2 HIS 10 HD2 HIS 10 -5.308 -6.948 -20.337 74 HE1 HIS 10 HE1 HIS 10 -1.816 -4.739 -21.290 75 HE2 HIS 10 HE2 HIS 10 -3.413 -6.529 -22.054 76 H MET 11 H MET 11 -3.046 -8.645 -17.715 77 HA MET 11 HA MET 11 -0.454 -7.438 -17.365 78 HB2 MET 11 HB2 MET 11 0.417 -9.046 -15.761 79 HB3 MET 11 HB3 MET 11 -0.945 -8.190 -15.055 80 HG2 MET 11 HG2 MET 11 -2.396 -10.092 -15.522 81 HG3 MET 11 HG3 MET 11 -1.040 -10.955 -16.243 82 HE1 MET 11 HE1 MET 11 -1.220 -8.693 -12.997 83 HE2 MET 11 HE2 MET 11 -1.442 -9.931 -11.760 84 HE3 MET 11 HE3 MET 11 -2.702 -9.648 -12.961 85 H ALA 12 H ALA 12 1.036 -8.415 -18.673 86 HA ALA 12 HA ALA 12 0.113 -10.520 -20.415 87 HB1 ALA 12 HB1 ALA 12 1.488 -8.707 -21.307 88 HB2 ALA 12 HB2 ALA 12 2.283 -10.267 -21.518 89 HB3 ALA 12 HB3 ALA 12 2.810 -9.174 -20.238 90 H GLN 13 H GLN 13 3.251 -10.302 -18.818 91 HA GLN 13 HA GLN 13 2.691 -12.664 -17.205 92 HB2 GLN 13 HB2 GLN 13 5.067 -12.412 -19.066 93 HB3 GLN 13 HB3 GLN 13 4.982 -13.572 -17.752 94 HG2 GLN 13 HG2 GLN 13 2.996 -14.577 -18.814 95 HG3 GLN 13 HG3 GLN 13 3.188 -13.459 -20.165 96 HE21 GLN 13 HE21 GLN 13 3.531 -15.103 -21.648 97 HE22 GLN 13 HE22 GLN 13 4.991 -16.027 -21.683 98 H PHE 14 H PHE 14 4.090 -12.758 -15.327 99 HA PHE 14 HA PHE 14 5.481 -10.227 -14.838 100 HB2 PHE 14 HB2 PHE 14 3.837 -10.877 -13.123 101 HB3 PHE 14 HB3 PHE 14 4.715 -12.382 -12.852 102 HD1 PHE 14 HD1 PHE 14 5.007 -8.696 -12.641 103 HD2 PHE 14 HD2 PHE 14 6.558 -12.459 -11.396 104 HE1 PHE 14 HE1 PHE 14 6.457 -7.556 -11.013 105 HE2 PHE 14 HE2 PHE 14 8.012 -11.325 -9.767 106 HZ PHE 14 HZ PHE 14 7.962 -8.871 -9.575 107 HA PRO 15 HA PRO 15 9.186 -12.737 -15.369 108 HB2 PRO 15 HB2 PRO 15 10.565 -10.391 -16.198 109 HB3 PRO 15 HB3 PRO 15 9.966 -11.697 -17.220 110 HG2 PRO 15 HG2 PRO 15 9.012 -9.085 -17.226 111 HG3 PRO 15 HG3 PRO 15 8.163 -10.494 -17.882 112 HD2 PRO 15 HD2 PRO 15 7.795 -9.112 -15.260 113 HD3 PRO 15 HD3 PRO 15 6.585 -9.857 -16.329 114 H THR 16 H THR 16 10.756 -13.034 -13.869 115 HA THR 16 HA THR 16 10.964 -11.112 -11.697 116 HB THR 16 HB THR 16 12.508 -12.855 -10.710 117 HG1 THR 16 HG1 THR 16 12.945 -13.813 -12.873 118 HG21 THR 16 HG21 THR 16 9.727 -13.746 -11.490 119 HG22 THR 16 HG22 THR 16 10.145 -12.746 -10.098 120 HG23 THR 16 HG23 THR 16 10.691 -14.421 -10.176 121 HA PRO 17 HA PRO 17 14.584 -9.622 -13.930 122 HB2 PRO 17 HB2 PRO 17 14.315 -7.029 -13.300 123 HB3 PRO 17 HB3 PRO 17 13.284 -7.820 -14.493 124 HG2 PRO 17 HG2 PRO 17 12.649 -6.942 -11.748 125 HG3 PRO 17 HG3 PRO 17 11.573 -7.156 -13.138 126 HD2 PRO 17 HD2 PRO 17 12.007 -8.958 -10.958 127 HD3 PRO 17 HD3 PRO 17 10.977 -9.200 -12.381 128 H PHE 18 H PHE 18 13.858 -9.244 -10.544 129 HA PHE 18 HA PHE 18 15.125 -8.959 -8.682 130 HB2 PHE 18 HB2 PHE 18 17.219 -10.163 -10.502 131 HB3 PHE 18 HB3 PHE 18 17.455 -9.902 -8.777 132 HD1 PHE 18 HD1 PHE 18 15.503 -11.775 -11.284 133 HD2 PHE 18 HD2 PHE 18 16.537 -11.381 -7.172 134 HE1 PHE 18 HE1 PHE 18 14.470 -13.961 -10.815 135 HE2 PHE 18 HE2 PHE 18 15.505 -13.563 -6.697 136 HZ PHE 18 HZ PHE 18 14.470 -14.856 -8.520 137 H GLY 19 H GLY 19 14.788 -6.711 -10.301 138 HA2 GLY 19 HA2 GLY 19 17.147 -5.170 -9.536 139 HA3 GLY 19 HA3 GLY 19 16.712 -5.166 -11.240 140 H GLY 20 H GLY 20 14.568 -5.179 -8.435 141 HA2 GLY 20 HA2 GLY 20 13.055 -2.980 -9.515 142 HA3 GLY 20 HA3 GLY 20 12.742 -3.822 -8.003 143 H SER 21 H SER 21 15.464 -1.921 -9.270 144 HA SER 21 HA SER 21 15.214 -0.164 -6.920 145 HB2 SER 21 HB2 SER 21 17.805 -1.083 -8.184 146 HB3 SER 21 HB3 SER 21 17.640 -0.057 -6.758 147 HG SER 21 HG SER 21 16.423 -2.589 -6.807 148 H LEU 22 H LEU 22 14.724 -0.273 -10.043 149 HA LEU 22 HA LEU 22 15.970 2.302 -10.703 150 HB2 LEU 22 HB2 LEU 22 16.273 0.381 -12.264 151 HB3 LEU 22 HB3 LEU 22 14.537 0.328 -12.492 152 HG LEU 22 HG LEU 22 14.654 2.649 -13.422 153 HD11 LEU 22 HD11 LEU 22 17.622 2.132 -13.308 154 HD12 LEU 22 HD12 LEU 22 16.737 3.363 -12.405 155 HD13 LEU 22 HD13 LEU 22 16.847 3.464 -14.163 156 HD21 LEU 22 HD21 LEU 22 15.542 1.951 -15.587 157 HD22 LEU 22 HD22 LEU 22 14.536 0.691 -14.871 158 HD23 LEU 22 HD23 LEU 22 16.294 0.548 -14.831 159 H ASP 23 H ASP 23 13.093 0.817 -9.787 160 HA ASP 23 HA ASP 23 11.424 3.064 -10.711 161 HB2 ASP 23 HB2 ASP 23 9.528 1.440 -10.502 162 HB3 ASP 23 HB3 ASP 23 10.731 0.950 -11.693 163 H THR 24 H THR 24 12.991 3.239 -8.364 164 HA THR 24 HA THR 24 11.948 2.347 -5.988 165 HB THR 24 HB THR 24 13.204 5.060 -6.402 166 HG1 THR 24 HG1 THR 24 14.346 2.448 -6.221 167 HG21 THR 24 HG21 THR 24 13.232 3.172 -4.042 168 HG22 THR 24 HG22 THR 24 12.313 4.672 -4.149 169 HG23 THR 24 HG23 THR 24 14.076 4.718 -4.138 170 H TRP 25 H TRP 25 11.187 5.463 -7.576 171 HA TRP 25 HA TRP 25 8.897 5.713 -5.737 172 HB2 TRP 25 HB2 TRP 25 10.709 7.769 -6.956 173 HB3 TRP 25 HB3 TRP 25 9.134 8.171 -6.295 174 HD1 TRP 25 HD1 TRP 25 12.661 7.820 -5.286 175 HE1 TRP 25 HE1 TRP 25 12.900 7.812 -2.719 176 HE3 TRP 25 HE3 TRP 25 7.748 7.173 -4.031 177 HZ2 TRP 25 HZ2 TRP 25 11.207 7.559 -0.463 178 HZ3 TRP 25 HZ3 TRP 25 7.142 7.050 -1.653 179 HH2 TRP 25 HH2 TRP 25 8.835 7.236 0.098 180 H ALA 26 H ALA 26 9.148 4.491 -8.436 181 HA ALA 26 HA ALA 26 6.873 5.906 -9.641 182 HB1 ALA 26 HB1 ALA 26 8.851 6.325 -11.004 183 HB2 ALA 26 HB2 ALA 26 7.698 5.311 -11.871 184 HB3 ALA 26 HB3 ALA 26 9.136 4.591 -11.146 185 H ILE 27 H ILE 27 5.304 4.579 -10.658 186 HA ILE 27 HA ILE 27 5.329 1.832 -9.684 187 HB ILE 27 HB ILE 27 3.116 3.464 -10.924 188 HG12 ILE 27 HG12 ILE 27 3.466 2.302 -8.152 189 HG13 ILE 27 HG13 ILE 27 3.697 3.990 -8.583 190 HG21 ILE 27 HG21 ILE 27 1.634 1.564 -10.496 191 HG22 ILE 27 HG22 ILE 27 3.016 0.604 -9.967 192 HG23 ILE 27 HG23 ILE 27 2.903 1.138 -11.644 193 HD11 ILE 27 HD11 ILE 27 1.111 2.469 -8.772 194 HD12 ILE 27 HD12 ILE 27 1.345 4.170 -9.177 195 HD13 ILE 27 HD13 ILE 27 1.548 3.622 -7.512 196 H THR 28 H THR 28 6.332 0.460 -10.912 197 HA THR 28 HA THR 28 6.600 0.698 -13.748 198 HB THR 28 HB THR 28 7.270 -1.911 -12.938 199 HG1 THR 28 HG1 THR 28 8.672 -1.168 -11.065 200 HG21 THR 28 HG21 THR 28 9.577 -1.122 -13.185 201 HG22 THR 28 HG22 THR 28 9.024 0.550 -13.104 202 HG23 THR 28 HG23 THR 28 8.559 -0.467 -14.467 203 H VAL 29 H VAL 29 5.978 -1.179 -15.207 204 HA VAL 29 HA VAL 29 3.198 -1.713 -14.992 205 HB VAL 29 HB VAL 29 4.514 -1.579 -17.140 206 HG11 VAL 29 HG11 VAL 29 5.288 -4.394 -16.417 207 HG12 VAL 29 HG12 VAL 29 6.373 -3.013 -16.575 208 HG13 VAL 29 HG13 VAL 29 5.528 -3.638 -17.992 209 HG21 VAL 29 HG21 VAL 29 2.204 -2.346 -17.070 210 HG22 VAL 29 HG22 VAL 29 2.752 -3.992 -16.757 211 HG23 VAL 29 HG23 VAL 29 3.121 -3.219 -18.299 212 H GLU 30 H GLU 30 6.073 -3.378 -14.000 213 HA GLU 30 HA GLU 30 4.974 -5.872 -13.352 214 HB2 GLU 30 HB2 GLU 30 7.201 -4.353 -11.977 215 HB3 GLU 30 HB3 GLU 30 6.870 -6.063 -11.800 216 HG2 GLU 30 HG2 GLU 30 8.486 -6.235 -13.349 217 HG3 GLU 30 HG3 GLU 30 7.136 -5.974 -14.450 218 H GLU 31 H GLU 31 5.345 -2.909 -11.419 219 HA GLU 31 HA GLU 31 4.082 -3.853 -9.087 220 HB2 GLU 31 HB2 GLU 31 4.055 -1.001 -10.083 221 HB3 GLU 31 HB3 GLU 31 3.936 -1.546 -8.425 222 HG2 GLU 31 HG2 GLU 31 6.348 -1.816 -10.184 223 HG3 GLU 31 HG3 GLU 31 6.114 -0.598 -8.936 224 H ARG 32 H ARG 32 2.902 -2.333 -12.013 225 HA ARG 32 HA ARG 32 0.221 -1.935 -11.366 226 HB2 ARG 32 HB2 ARG 32 1.377 -1.182 -13.454 227 HB3 ARG 32 HB3 ARG 32 1.328 -2.838 -14.033 228 HG2 ARG 32 HG2 ARG 32 -0.479 -1.801 -15.079 229 HG3 ARG 32 HG3 ARG 32 -1.203 -2.685 -13.733 230 HD2 ARG 32 HD2 ARG 32 -2.200 -0.523 -13.780 231 HD3 ARG 32 HD3 ARG 32 -1.100 -0.563 -12.402 232 HE ARG 32 HE ARG 32 0.241 0.454 -14.679 233 HH11 ARG 32 HH11 ARG 32 -2.219 1.384 -12.342 234 HH12 ARG 32 HH12 ARG 32 -1.887 3.087 -12.504 235 HH21 ARG 32 HH21 ARG 32 0.649 2.676 -14.884 236 HH22 ARG 32 HH22 ARG 32 -0.267 3.815 -13.945 237 H ALA 33 H ALA 33 1.887 -4.809 -12.582 238 HA ALA 33 HA ALA 33 -0.487 -6.418 -12.666 239 HB1 ALA 33 HB1 ALA 33 2.426 -7.205 -12.758 240 HB2 ALA 33 HB2 ALA 33 1.371 -6.910 -14.142 241 HB3 ALA 33 HB3 ALA 33 1.067 -8.284 -13.080 242 H LYS 34 H LYS 34 2.157 -5.943 -10.391 243 HA LYS 34 HA LYS 34 1.705 -8.120 -8.716 244 HB2 LYS 34 HB2 LYS 34 3.074 -5.506 -8.425 245 HB3 LYS 34 HB3 LYS 34 2.714 -6.396 -6.953 246 HG2 LYS 34 HG2 LYS 34 4.296 -7.428 -9.295 247 HG3 LYS 34 HG3 LYS 34 4.957 -6.883 -7.750 248 HD2 LYS 34 HD2 LYS 34 3.597 -8.649 -6.631 249 HD3 LYS 34 HD3 LYS 34 3.143 -9.244 -8.228 250 HE2 LYS 34 HE2 LYS 34 5.571 -9.520 -8.727 251 HE3 LYS 34 HE3 LYS 34 5.910 -9.112 -7.047 252 HZ1 LYS 34 HZ1 LYS 34 4.325 -11.433 -8.009 253 HZ2 LYS 34 HZ2 LYS 34 4.548 -11.022 -6.379 254 HZ3 LYS 34 HZ3 LYS 34 5.877 -11.480 -7.324 255 H HIS 35 H HIS 35 0.072 -5.003 -8.784 256 HA HIS 35 HA HIS 35 -0.891 -5.077 -6.158 257 HB2 HIS 35 HB2 HIS 35 -2.432 -3.351 -6.728 258 HB3 HIS 35 HB3 HIS 35 -0.924 -3.044 -7.557 259 HD1 HIS 35 HD1 HIS 35 -1.704 -1.696 -9.487 260 HD2 HIS 35 HD2 HIS 35 -3.955 -5.163 -9.016 261 HE1 HIS 35 HE1 HIS 35 -3.285 -1.752 -11.441 262 HE2 HIS 35 HE2 HIS 35 -4.531 -3.927 -11.215 263 H ASP 36 H ASP 36 -1.979 -6.710 -8.974 264 HA ASP 36 HA ASP 36 -4.589 -7.334 -7.965 265 HB2 ASP 36 HB2 ASP 36 -4.092 -7.309 -10.392 266 HB3 ASP 36 HB3 ASP 36 -3.044 -8.708 -10.171 267 H GLN 37 H GLN 37 -1.496 -9.050 -8.112 268 HA GLN 37 HA GLN 37 -2.474 -11.487 -7.051 269 HB2 GLN 37 HB2 GLN 37 -0.326 -11.304 -8.288 270 HB3 GLN 37 HB3 GLN 37 0.351 -10.406 -6.934 271 HG2 GLN 37 HG2 GLN 37 -0.110 -12.377 -5.485 272 HG3 GLN 37 HG3 GLN 37 -0.593 -13.262 -6.929 273 HE21 GLN 37 HE21 GLN 37 0.998 -14.782 -6.706 274 HE22 GLN 37 HE22 GLN 37 2.676 -14.441 -6.982 275 H GLN 38 H GLN 38 -0.992 -8.631 -5.577 276 HA GLN 38 HA GLN 38 -0.947 -9.705 -2.943 277 HB2 GLN 38 HB2 GLN 38 -1.034 -6.789 -3.733 278 HB3 GLN 38 HB3 GLN 38 -0.486 -7.448 -2.201 279 HG2 GLN 38 HG2 GLN 38 0.835 -7.733 -4.883 280 HG3 GLN 38 HG3 GLN 38 1.415 -6.820 -3.494 281 HE21 GLN 38 HE21 GLN 38 2.697 -8.936 -4.996 282 HE22 GLN 38 HE22 GLN 38 3.072 -10.189 -3.868 283 H PHE 39 H PHE 39 -3.249 -7.806 -4.798 284 HA PHE 39 HA PHE 39 -5.138 -7.313 -2.783 285 HB2 PHE 39 HB2 PHE 39 -5.191 -6.203 -4.971 286 HB3 PHE 39 HB3 PHE 39 -5.555 -7.736 -5.752 287 HD1 PHE 39 HD1 PHE 39 -6.900 -5.710 -2.920 288 HD2 PHE 39 HD2 PHE 39 -7.724 -8.002 -6.408 289 HE1 PHE 39 HE1 PHE 39 -9.298 -5.240 -2.660 290 HE2 PHE 39 HE2 PHE 39 -10.126 -7.536 -6.151 291 HZ PHE 39 HZ PHE 39 -10.911 -6.139 -4.280 292 H HIS 40 H HIS 40 -4.614 -10.053 -4.909 293 HA HIS 40 HA HIS 40 -6.859 -11.592 -4.294 294 HB2 HIS 40 HB2 HIS 40 -5.031 -11.994 -6.045 295 HB3 HIS 40 HB3 HIS 40 -4.082 -12.693 -4.743 296 HD1 HIS 40 HD1 HIS 40 -6.163 -13.668 -7.400 297 HD2 HIS 40 HD2 HIS 40 -5.751 -14.933 -3.458 298 HE1 HIS 40 HE1 HIS 40 -7.131 -15.992 -7.329 299 HE2 HIS 40 HE2 HIS 40 -6.762 -16.788 -4.962 300 H SER 41 H SER 41 -3.748 -11.275 -2.676 301 HA SER 41 HA SER 41 -4.272 -13.257 -0.696 302 HB2 SER 41 HB2 SER 41 -2.154 -11.100 -0.780 303 HB3 SER 41 HB3 SER 41 -2.142 -12.531 0.245 304 HG SER 41 HG SER 41 -1.414 -12.261 -2.360 305 H LEU 42 H LEU 42 -5.138 -9.972 -1.028 306 HA LEU 42 HA LEU 42 -5.157 -9.188 1.703 307 HB2 LEU 42 HB2 LEU 42 -6.527 -8.156 -0.757 308 HB3 LEU 42 HB3 LEU 42 -6.833 -7.455 0.819 309 HG LEU 42 HG LEU 42 -4.087 -7.622 -0.419 310 HD11 LEU 42 HD11 LEU 42 -5.560 -6.234 -1.783 311 HD12 LEU 42 HD12 LEU 42 -4.356 -5.266 -0.932 312 HD13 LEU 42 HD13 LEU 42 -6.019 -5.317 -0.348 313 HD21 LEU 42 HD21 LEU 42 -4.152 -7.440 2.020 314 HD22 LEU 42 HD22 LEU 42 -5.184 -6.017 1.882 315 HD23 LEU 42 HD23 LEU 42 -3.530 -5.968 1.272 316 H LYS 43 H LYS 43 -6.971 -11.478 0.191 317 HA LYS 43 HA LYS 43 -8.906 -12.585 0.620 318 HB2 LYS 43 HB2 LYS 43 -8.789 -11.181 3.295 319 HB3 LYS 43 HB3 LYS 43 -9.720 -12.623 2.917 320 HG2 LYS 43 HG2 LYS 43 -7.759 -13.939 2.707 321 HG3 LYS 43 HG3 LYS 43 -6.721 -12.509 2.739 322 HD2 LYS 43 HD2 LYS 43 -7.474 -12.050 5.043 323 HD3 LYS 43 HD3 LYS 43 -8.431 -13.531 5.008 324 HE2 LYS 43 HE2 LYS 43 -6.428 -14.857 4.729 325 HE3 LYS 43 HE3 LYS 43 -5.444 -13.398 4.632 326 HZ1 LYS 43 HZ1 LYS 43 -7.057 -14.167 7.006 327 HZ2 LYS 43 HZ2 LYS 43 -5.952 -12.883 6.897 328 HZ3 LYS 43 HZ3 LYS 43 -5.398 -14.483 6.835 329 HA PRO 44 HA PRO 44 -11.211 -8.537 -0.325 330 HB2 PRO 44 HB2 PRO 44 -11.889 -10.118 -2.733 331 HB3 PRO 44 HB3 PRO 44 -11.403 -8.427 -2.597 332 HG2 PRO 44 HG2 PRO 44 -9.743 -10.300 -3.551 333 HG3 PRO 44 HG3 PRO 44 -9.161 -8.930 -2.590 334 HD2 PRO 44 HD2 PRO 44 -9.521 -11.785 -1.804 335 HD3 PRO 44 HD3 PRO 44 -8.299 -10.611 -1.282 336 H ILE 45 H ILE 45 -13.325 -8.314 0.157 337 HA ILE 45 HA ILE 45 -14.722 -10.567 1.208 338 HB ILE 45 HB ILE 45 -15.634 -7.714 0.779 339 HG12 ILE 45 HG12 ILE 45 -15.531 -7.774 3.356 340 HG13 ILE 45 HG13 ILE 45 -14.567 -9.229 3.154 341 HG21 ILE 45 HG21 ILE 45 -17.568 -9.168 0.752 342 HG22 ILE 45 HG22 ILE 45 -17.518 -8.257 2.261 343 HG23 ILE 45 HG23 ILE 45 -17.030 -9.951 2.237 344 HD11 ILE 45 HD11 ILE 45 -12.919 -7.957 1.877 345 HD12 ILE 45 HD12 ILE 45 -13.160 -7.289 3.492 346 HD13 ILE 45 HD13 ILE 45 -13.888 -6.498 2.093 347 H SER 46 H SER 46 -15.552 -8.306 -1.413 348 HA SER 46 HA SER 46 -16.690 -10.539 -2.926 349 HB2 SER 46 HB2 SER 46 -18.141 -7.913 -2.501 350 HB3 SER 46 HB3 SER 46 -18.718 -9.294 -3.433 351 HG SER 46 HG SER 46 -18.617 -10.512 -1.435 352 H GLY 47 H GLY 47 -14.292 -9.625 -3.532 353 HA2 GLY 47 HA2 GLY 47 -13.220 -9.010 -5.528 354 HA3 GLY 47 HA3 GLY 47 -14.691 -8.192 -6.042 355 H PHE 48 H PHE 48 -14.104 -7.331 -2.917 356 HA PHE 48 HA PHE 48 -12.268 -5.160 -3.542 357 HB2 PHE 48 HB2 PHE 48 -13.728 -3.459 -2.633 358 HB3 PHE 48 HB3 PHE 48 -14.568 -4.286 -3.937 359 HD1 PHE 48 HD2 PHE 48 -16.381 -5.901 -3.396 360 HD2 PHE 48 HD1 PHE 48 -14.552 -3.476 -0.416 361 HE1 PHE 48 HE2 PHE 48 -18.272 -6.337 -1.883 362 HE2 PHE 48 HE1 PHE 48 -16.439 -3.909 1.099 363 HZ PHE 48 HZ PHE 48 -18.301 -5.342 0.365 364 H ILE 49 H ILE 49 -11.512 -4.065 -1.591 365 HA ILE 49 HA ILE 49 -11.616 -5.813 0.778 366 HB ILE 49 HB ILE 49 -9.409 -4.795 1.392 367 HG12 ILE 49 HG12 ILE 49 -9.380 -3.874 -1.492 368 HG13 ILE 49 HG13 ILE 49 -9.677 -2.808 -0.123 369 HG21 ILE 49 HG21 ILE 49 -9.524 -6.380 -1.168 370 HG22 ILE 49 HG22 ILE 49 -9.525 -7.023 0.475 371 HG23 ILE 49 HG23 ILE 49 -8.098 -6.194 -0.146 372 HD11 ILE 49 HD11 ILE 49 -7.458 -3.310 0.747 373 HD12 ILE 49 HD12 ILE 49 -7.385 -2.648 -0.887 374 HD13 ILE 49 HD13 ILE 49 -7.163 -4.378 -0.624 375 H THR 50 H THR 50 -10.395 -4.078 2.541 376 HA THR 50 HA THR 50 -11.725 -1.538 2.479 377 HB THR 50 HB THR 50 -13.548 -2.907 3.358 378 HG1 THR 50 HG1 THR 50 -13.637 -1.886 5.549 379 HG21 THR 50 HG21 THR 50 -13.329 -4.151 5.455 380 HG22 THR 50 HG22 THR 50 -11.611 -3.757 5.515 381 HG23 THR 50 HG23 THR 50 -12.236 -4.783 4.224 382 H GLY 51 H GLY 51 -11.169 -0.299 4.562 383 HA2 GLY 51 HA2 GLY 51 -8.375 -0.271 4.867 384 HA3 GLY 51 HA3 GLY 51 -9.518 0.597 5.878 385 H ASP 52 H ASP 52 -10.807 -2.041 6.580 386 HA ASP 52 HA ASP 52 -9.231 -2.584 8.899 387 HB2 ASP 52 HB2 ASP 52 -11.737 -2.746 8.811 388 HB3 ASP 52 HB3 ASP 52 -11.553 -4.202 7.837 389 H GLN 53 H GLN 53 -9.814 -4.232 5.836 390 HA GLN 53 HA GLN 53 -8.149 -6.478 6.459 391 HB2 GLN 53 HB2 GLN 53 -9.286 -5.424 3.871 392 HB3 GLN 53 HB3 GLN 53 -8.240 -6.834 3.936 393 HG2 GLN 53 HG2 GLN 53 -10.873 -6.556 5.362 394 HG3 GLN 53 HG3 GLN 53 -10.610 -7.426 3.852 395 HE21 GLN 53 HE21 GLN 53 -9.416 -9.354 3.880 396 HE22 GLN 53 HE22 GLN 53 -9.186 -10.248 5.347 397 H ALA 54 H ALA 54 -7.738 -3.362 4.936 398 HA ALA 54 HA ALA 54 -5.215 -3.679 3.803 399 HB1 ALA 54 HB1 ALA 54 -6.620 -1.732 3.402 400 HB2 ALA 54 HB2 ALA 54 -5.023 -1.242 3.967 401 HB3 ALA 54 HB3 ALA 54 -6.398 -1.210 5.073 402 H ARG 55 H ARG 55 -6.040 -2.388 7.030 403 HA ARG 55 HA ARG 55 -3.398 -2.111 7.924 404 HB2 ARG 55 HB2 ARG 55 -4.316 -1.974 10.176 405 HB3 ARG 55 HB3 ARG 55 -5.315 -1.057 9.057 406 HG2 ARG 55 HG2 ARG 55 -7.017 -2.684 9.088 407 HG3 ARG 55 HG3 ARG 55 -5.973 -3.870 9.874 408 HD2 ARG 55 HD2 ARG 55 -5.914 -2.464 11.884 409 HD3 ARG 55 HD3 ARG 55 -6.981 -1.303 11.096 410 HE ARG 55 HE ARG 55 -8.648 -3.159 11.010 411 HH11 ARG 55 HH11 ARG 55 -6.074 -3.244 13.392 412 HH12 ARG 55 HH12 ARG 55 -7.012 -4.163 14.541 413 HH21 ARG 55 HH21 ARG 55 -9.856 -4.356 12.487 414 HH22 ARG 55 HH22 ARG 55 -9.162 -4.801 14.022 415 H ASN 56 H ASN 56 -5.569 -4.854 7.906 416 HA ASN 56 HA ASN 56 -4.176 -6.481 9.738 417 HB2 ASN 56 HB2 ASN 56 -6.545 -6.814 8.920 418 HB3 ASN 56 HB3 ASN 56 -5.874 -7.411 7.409 419 HD21 ASN 56 HD21 ASN 56 -7.581 -8.784 9.243 420 HD22 ASN 56 HD22 ASN 56 -6.731 -10.192 9.789 421 H PHE 57 H PHE 57 -4.158 -6.431 6.176 422 HA PHE 57 HA PHE 57 -2.314 -8.498 5.813 423 HB2 PHE 57 HB2 PHE 57 -3.763 -7.591 4.039 424 HB3 PHE 57 HB3 PHE 57 -2.776 -6.133 4.007 425 HD1 PHE 57 HD1 PHE 57 -0.528 -6.172 3.105 426 HD2 PHE 57 HD2 PHE 57 -2.954 -9.666 3.103 427 HE1 PHE 57 HE1 PHE 57 1.001 -7.229 1.510 428 HE2 PHE 57 HE2 PHE 57 -1.426 -10.729 1.494 429 HZ PHE 57 HZ PHE 57 0.559 -9.510 0.694 430 H PHE 58 H PHE 58 -1.742 -4.980 5.769 431 HA PHE 58 HA PHE 58 1.021 -5.200 5.266 432 HB2 PHE 58 HB2 PHE 58 -0.372 -2.886 6.621 433 HB3 PHE 58 HB3 PHE 58 1.164 -2.842 5.765 434 HD1 PHE 58 HD2 PHE 58 0.172 -4.624 3.424 435 HD2 PHE 58 HD1 PHE 58 -1.402 -1.171 5.349 436 HE1 PHE 58 HE2 PHE 58 -1.016 -4.021 1.358 437 HE2 PHE 58 HE1 PHE 58 -2.594 -0.560 3.285 438 HZ PHE 58 HZ PHE 58 -2.401 -1.985 1.284 439 H PHE 59 H PHE 59 -0.812 -4.936 8.285 440 HA PHE 59 HA PHE 59 1.398 -4.694 10.024 441 HB2 PHE 59 HB2 PHE 59 -1.059 -4.336 10.586 442 HB3 PHE 59 HB3 PHE 59 -1.211 -6.085 10.656 443 HD1 PHE 59 HD1 PHE 59 0.595 -3.221 12.156 444 HD2 PHE 59 HD2 PHE 59 -0.682 -7.256 12.604 445 HE1 PHE 59 HE1 PHE 59 1.302 -3.178 14.513 446 HE2 PHE 59 HE2 PHE 59 0.023 -7.220 14.961 447 HZ PHE 59 HZ PHE 59 1.015 -5.182 15.918 448 H GLN 60 H GLN 60 -0.374 -7.447 8.755 449 HA GLN 60 HA GLN 60 0.930 -9.490 10.185 450 HB2 GLN 60 HB2 GLN 60 -1.250 -9.728 9.086 451 HB3 GLN 60 HB3 GLN 60 -0.496 -9.527 7.517 452 HG2 GLN 60 HG2 GLN 60 0.423 -11.756 9.246 453 HG3 GLN 60 HG3 GLN 60 -1.148 -11.882 8.460 454 HE21 GLN 60 HE21 GLN 60 -0.228 -10.276 6.159 455 HE22 GLN 60 HE22 GLN 60 0.763 -11.337 5.220 456 H SER 61 H SER 61 1.926 -7.575 7.531 457 HA SER 61 HA SER 61 3.778 -9.443 6.393 458 HB2 SER 61 HB2 SER 61 3.586 -6.438 6.060 459 HB3 SER 61 HB3 SER 61 4.532 -7.529 5.047 460 HG SER 61 HG SER 61 1.710 -7.662 5.391 461 H GLY 62 H GLY 62 3.798 -7.707 9.238 462 HA2 GLY 62 HA2 GLY 62 5.534 -8.062 10.824 463 HA3 GLY 62 HA3 GLY 62 6.677 -8.213 9.498 464 H LEU 63 H LEU 63 4.329 -5.624 9.756 465 HA LEU 63 HA LEU 63 6.560 -3.761 10.208 466 HB2 LEU 63 HB2 LEU 63 3.993 -3.491 8.683 467 HB3 LEU 63 HB3 LEU 63 4.837 -2.071 9.269 468 HG LEU 63 HG LEU 63 6.038 -4.128 7.402 469 HD11 LEU 63 HD11 LEU 63 5.822 -2.370 5.702 470 HD12 LEU 63 HD12 LEU 63 4.932 -1.377 6.858 471 HD13 LEU 63 HD13 LEU 63 4.255 -2.909 6.305 472 HD21 LEU 63 HD21 LEU 63 7.036 -1.435 8.332 473 HD22 LEU 63 HD22 LEU 63 7.808 -2.456 7.120 474 HD23 LEU 63 HD23 LEU 63 7.697 -3.005 8.792 475 HA PRO 64 HA PRO 64 4.835 -2.637 14.127 476 HB2 PRO 64 HB2 PRO 64 5.849 0.082 13.554 477 HB3 PRO 64 HB3 PRO 64 6.242 -1.009 14.886 478 HG2 PRO 64 HG2 PRO 64 7.988 -0.547 12.914 479 HG3 PRO 64 HG3 PRO 64 7.837 -2.151 13.658 480 HD2 PRO 64 HD2 PRO 64 6.760 -1.161 11.045 481 HD3 PRO 64 HD3 PRO 64 7.496 -2.730 11.439 482 H GLN 65 H GLN 65 3.164 -1.413 15.042 483 HA GLN 65 HA GLN 65 1.011 -0.920 13.336 484 HB2 GLN 65 HB2 GLN 65 0.760 -1.527 15.704 485 HB3 GLN 65 HB3 GLN 65 1.367 0.057 16.167 486 HG2 GLN 65 HG2 GLN 65 -0.537 1.140 15.193 487 HG3 GLN 65 HG3 GLN 65 -1.120 -0.389 14.533 488 HE21 GLN 65 HE21 GLN 65 -0.725 1.539 17.387 489 HE22 GLN 65 HE22 GLN 65 -1.772 0.608 18.412 490 HA PRO 66 HA PRO 66 1.936 3.905 14.002 491 HB2 PRO 66 HB2 PRO 66 4.707 4.266 13.952 492 HB3 PRO 66 HB3 PRO 66 3.667 4.455 15.366 493 HG2 PRO 66 HG2 PRO 66 5.336 2.124 14.534 494 HG3 PRO 66 HG3 PRO 66 5.035 2.770 16.158 495 HD2 PRO 66 HD2 PRO 66 3.806 0.557 15.318 496 HD3 PRO 66 HD3 PRO 66 2.941 1.757 16.304 497 H VAL 67 H VAL 67 4.311 1.796 12.420 498 HA VAL 67 HA VAL 67 4.615 3.346 10.064 499 HB VAL 67 HB VAL 67 5.079 0.388 10.513 500 HG11 VAL 67 HG11 VAL 67 6.032 2.171 8.272 501 HG12 VAL 67 HG12 VAL 67 4.817 0.900 8.138 502 HG13 VAL 67 HG13 VAL 67 6.489 0.485 8.515 503 HG21 VAL 67 HG21 VAL 67 6.431 1.793 11.968 504 HG22 VAL 67 HG22 VAL 67 6.980 2.730 10.578 505 HG23 VAL 67 HG23 VAL 67 7.437 1.034 10.733 506 H LEU 68 H LEU 68 2.646 0.534 10.878 507 HA LEU 68 HA LEU 68 1.364 0.129 8.441 508 HB2 LEU 68 HB2 LEU 68 1.323 -1.443 10.302 509 HB3 LEU 68 HB3 LEU 68 0.414 -0.312 11.272 510 HG LEU 68 HG LEU 68 -0.787 -2.341 10.200 511 HD11 LEU 68 HD11 LEU 68 -2.857 -1.061 9.988 512 HD12 LEU 68 HD12 LEU 68 -1.926 0.437 9.987 513 HD13 LEU 68 HD13 LEU 68 -1.938 -0.594 11.418 514 HD21 LEU 68 HD21 LEU 68 0.050 -1.993 7.936 515 HD22 LEU 68 HD22 LEU 68 -0.774 -0.434 7.871 516 HD23 LEU 68 HD23 LEU 68 -1.712 -1.922 7.994 517 H ALA 69 H ALA 69 0.360 2.124 11.206 518 HA ALA 69 HA ALA 69 -2.048 3.064 10.102 519 HB1 ALA 69 HB1 ALA 69 -1.463 3.215 12.488 520 HB2 ALA 69 HB2 ALA 69 -1.987 4.762 11.826 521 HB3 ALA 69 HB3 ALA 69 -0.272 4.457 12.101 522 H GLN 70 H GLN 70 1.252 4.234 9.848 523 HA GLN 70 HA GLN 70 0.646 6.696 8.588 524 HB2 GLN 70 HB2 GLN 70 2.853 5.652 9.689 525 HB3 GLN 70 HB3 GLN 70 3.199 5.287 8.008 526 HG2 GLN 70 HG2 GLN 70 2.507 8.044 8.965 527 HG3 GLN 70 HG3 GLN 70 4.150 7.421 8.927 528 HE21 GLN 70 HE21 GLN 70 1.490 8.586 7.066 529 HE22 GLN 70 HE22 GLN 70 2.310 8.657 5.548 530 H ILE 71 H ILE 71 1.438 3.457 7.388 531 HA ILE 71 HA ILE 71 1.597 4.110 4.651 532 HB ILE 71 HB ILE 71 1.039 1.516 6.078 533 HG12 ILE 71 HG12 ILE 71 3.395 2.464 4.431 534 HG13 ILE 71 HG13 ILE 71 3.318 2.505 6.186 535 HG21 ILE 71 HG21 ILE 71 1.298 0.363 3.923 536 HG22 ILE 71 HG22 ILE 71 1.317 1.920 3.097 537 HG23 ILE 71 HG23 ILE 71 -0.133 1.392 3.950 538 HD11 ILE 71 HD11 ILE 71 3.247 0.048 4.457 539 HD12 ILE 71 HD12 ILE 71 3.119 0.063 6.216 540 HD13 ILE 71 HD13 ILE 71 4.603 0.610 5.435 541 H TRP 72 H TRP 72 -1.143 3.017 6.632 542 HA TRP 72 HA TRP 72 -2.958 2.799 4.477 543 HB2 TRP 72 HB2 TRP 72 -3.358 1.794 6.713 544 HB3 TRP 72 HB3 TRP 72 -3.601 3.409 7.373 545 HD1 TRP 72 HD1 TRP 72 -5.076 2.142 4.037 546 HE1 TRP 72 HE1 TRP 72 -7.638 2.259 4.193 547 HE3 TRP 72 HE3 TRP 72 -5.519 3.521 8.938 548 HZ2 TRP 72 HZ2 TRP 72 -9.596 2.845 6.149 549 HZ3 TRP 72 HZ3 TRP 72 -7.769 3.832 9.874 550 HH2 TRP 72 HH2 TRP 72 -9.767 3.505 8.509 551 H ALA 73 H ALA 73 -2.119 5.482 6.610 552 HA ALA 73 HA ALA 73 -4.093 7.273 5.608 553 HB1 ALA 73 HB1 ALA 73 -1.505 7.907 7.019 554 HB2 ALA 73 HB2 ALA 73 -3.044 7.554 7.805 555 HB3 ALA 73 HB3 ALA 73 -2.876 8.996 6.806 556 H LEU 74 H LEU 74 -1.130 6.169 4.369 557 HA LEU 74 HA LEU 74 -0.751 8.446 2.595 558 HB2 LEU 74 HB2 LEU 74 0.863 6.255 3.615 559 HB3 LEU 74 HB3 LEU 74 1.046 6.456 1.884 560 HG LEU 74 HG LEU 74 1.443 8.668 3.895 561 HD11 LEU 74 HD11 LEU 74 3.476 6.972 2.452 562 HD12 LEU 74 HD12 LEU 74 3.110 6.903 4.176 563 HD13 LEU 74 HD13 LEU 74 3.825 8.359 3.484 564 HD21 LEU 74 HD21 LEU 74 0.780 9.409 1.669 565 HD22 LEU 74 HD22 LEU 74 2.083 8.455 0.958 566 HD23 LEU 74 HD23 LEU 74 2.461 9.823 2.006 567 H ALA 75 H ALA 75 -2.123 5.283 2.587 568 HA ALA 75 HA ALA 75 -1.695 4.623 -0.130 569 HB1 ALA 75 HB1 ALA 75 -3.281 2.834 0.248 570 HB2 ALA 75 HB2 ALA 75 -3.810 3.596 1.748 571 HB3 ALA 75 HB3 ALA 75 -2.169 2.965 1.610 572 H ASP 76 H ASP 76 -4.890 5.188 1.348 573 HA ASP 76 HA ASP 76 -5.760 6.221 -1.211 574 HB2 ASP 76 HB2 ASP 76 -8.028 6.251 -0.063 575 HB3 ASP 76 HB3 ASP 76 -7.318 4.677 -0.351 576 H MET 77 H MET 77 -4.853 8.157 -1.400 577 HA MET 77 HA MET 77 -4.503 10.191 0.389 578 HB2 MET 77 HB2 MET 77 -5.217 10.340 -2.535 579 HB3 MET 77 HB3 MET 77 -4.812 11.764 -1.591 580 HG2 MET 77 HG2 MET 77 -2.847 11.153 -2.709 581 HG3 MET 77 HG3 MET 77 -2.627 10.639 -1.040 582 HE1 MET 77 HE1 MET 77 -3.582 7.766 -4.528 583 HE2 MET 77 HE2 MET 77 -3.237 9.478 -4.757 584 HE3 MET 77 HE3 MET 77 -4.716 8.982 -3.933 585 H ASN 78 H ASN 78 -7.519 9.361 -1.227 586 HA ASN 78 HA ASN 78 -8.887 11.723 -0.295 587 HB2 ASN 78 HB2 ASN 78 -9.641 10.747 -2.362 588 HB3 ASN 78 HB3 ASN 78 -9.856 9.175 -1.606 589 HD21 ASN 78 HD21 ASN 78 -11.722 8.741 -0.495 590 HD22 ASN 78 HD22 ASN 78 -13.063 9.825 -0.415 591 H ASN 79 H ASN 79 -7.914 8.890 1.141 592 HA ASN 79 HA ASN 79 -8.600 7.520 2.802 593 HB2 ASN 79 HB2 ASN 79 -8.107 9.658 4.047 594 HB3 ASN 79 HB3 ASN 79 -9.836 9.998 4.009 595 HD21 ASN 79 HD21 ASN 79 -8.406 6.803 4.354 596 HD22 ASN 79 HD22 ASN 79 -8.949 6.544 5.977 597 H ASP 80 H ASP 80 -10.019 6.558 1.242 598 HA ASP 80 HA ASP 80 -12.833 7.292 1.333 599 HB2 ASP 80 HB2 ASP 80 -11.460 6.570 -0.760 600 HB3 ASP 80 HB3 ASP 80 -11.704 4.935 -0.154 601 H GLY 81 H GLY 81 -10.649 5.118 2.791 602 HA2 GLY 81 HA2 GLY 81 -11.067 3.783 4.657 603 HA3 GLY 81 HA3 GLY 81 -12.792 3.990 4.393 604 H ARG 82 H ARG 82 -12.107 3.197 1.474 605 HA ARG 82 HA ARG 82 -12.405 0.330 1.944 606 HB2 ARG 82 HB2 ARG 82 -13.169 2.186 -0.237 607 HB3 ARG 82 HB3 ARG 82 -12.746 0.550 -0.709 608 HG2 ARG 82 HG2 ARG 82 -15.127 0.743 -0.438 609 HG3 ARG 82 HG3 ARG 82 -14.467 -0.323 0.801 610 HD2 ARG 82 HD2 ARG 82 -14.885 2.582 1.376 611 HD3 ARG 82 HD3 ARG 82 -16.246 1.464 1.432 612 HE ARG 82 HE ARG 82 -13.822 1.137 3.087 613 HH11 ARG 82 HH11 ARG 82 -17.291 1.050 2.652 614 HH12 ARG 82 HH12 ARG 82 -17.612 0.496 4.270 615 HH21 ARG 82 HH21 ARG 82 -14.230 0.461 5.235 616 HH22 ARG 82 HH22 ARG 82 -15.872 0.183 5.748 617 H MET 83 H MET 83 -10.393 2.641 0.305 618 HA MET 83 HA MET 83 -8.471 2.530 -0.878 619 HB2 MET 83 HB2 MET 83 -7.474 1.586 1.128 620 HB3 MET 83 HB3 MET 83 -8.062 -0.018 0.708 621 HG2 MET 83 HG2 MET 83 -6.658 0.101 -1.353 622 HG3 MET 83 HG3 MET 83 -5.973 1.599 -0.728 623 HE1 MET 83 HE1 MET 83 -4.291 0.327 2.595 624 HE2 MET 83 HE2 MET 83 -5.949 0.901 2.411 625 HE3 MET 83 HE3 MET 83 -4.631 1.732 1.585 626 H ASP 84 H ASP 84 -9.350 2.333 -2.903 627 HA ASP 84 HA ASP 84 -10.190 -0.210 -3.925 628 HB2 ASP 84 HB2 ASP 84 -11.143 1.928 -4.742 629 HB3 ASP 84 HB3 ASP 84 -9.580 2.347 -5.429 630 H GLN 85 H GLN 85 -9.195 -1.055 -5.971 631 HA GLN 85 HA GLN 85 -6.586 -1.909 -5.416 632 HB2 GLN 85 HB2 GLN 85 -8.229 -2.036 -7.941 633 HB3 GLN 85 HB3 GLN 85 -6.648 -2.793 -7.789 634 HG2 GLN 85 HG2 GLN 85 -8.257 -4.475 -7.385 635 HG3 GLN 85 HG3 GLN 85 -7.537 -4.071 -5.831 636 HE21 GLN 85 HE21 GLN 85 -8.802 -2.970 -4.278 637 HE22 GLN 85 HE22 GLN 85 -10.522 -2.880 -4.404 638 H VAL 86 H VAL 86 -7.694 0.922 -7.010 639 HA VAL 86 HA VAL 86 -5.321 1.569 -8.422 640 HB VAL 86 HB VAL 86 -7.371 3.454 -7.238 641 HG11 VAL 86 HG11 VAL 86 -6.576 5.047 -8.920 642 HG12 VAL 86 HG12 VAL 86 -5.352 3.889 -9.437 643 HG13 VAL 86 HG13 VAL 86 -5.282 4.579 -7.816 644 HG21 VAL 86 HG21 VAL 86 -8.428 1.865 -8.728 645 HG22 VAL 86 HG22 VAL 86 -7.222 2.193 -9.972 646 HG23 VAL 86 HG23 VAL 86 -8.361 3.452 -9.495 647 H GLU 87 H GLU 87 -6.556 2.742 -5.269 648 HA GLU 87 HA GLU 87 -4.198 4.046 -4.482 649 HB2 GLU 87 HB2 GLU 87 -6.264 2.765 -2.682 650 HB3 GLU 87 HB3 GLU 87 -5.073 3.958 -2.192 651 HG2 GLU 87 HG2 GLU 87 -6.887 5.297 -2.446 652 HG3 GLU 87 HG3 GLU 87 -6.223 5.388 -4.076 653 H PHE 88 H PHE 88 -5.317 0.729 -3.906 654 HA PHE 88 HA PHE 88 -3.199 -0.048 -2.244 655 HB2 PHE 88 HB2 PHE 88 -5.212 -1.413 -2.497 656 HB3 PHE 88 HB3 PHE 88 -4.782 -1.760 -4.172 657 HD1 PHE 88 HD2 PHE 88 -3.348 -2.003 -0.745 658 HD2 PHE 88 HD1 PHE 88 -3.656 -3.713 -4.627 659 HE1 PHE 88 HE2 PHE 88 -2.003 -3.918 0.001 660 HE2 PHE 88 HE1 PHE 88 -2.312 -5.636 -3.889 661 HZ PHE 88 HZ PHE 88 -1.481 -5.739 -1.571 662 H SER 89 H SER 89 -3.354 0.349 -5.697 663 HA SER 89 HA SER 89 -1.154 -1.259 -6.407 664 HB2 SER 89 HB2 SER 89 -2.862 -0.330 -8.001 665 HB3 SER 89 HB3 SER 89 -2.080 1.244 -7.838 666 HG SER 89 HG SER 89 -0.097 0.050 -8.495 667 H ILE 90 H ILE 90 -1.379 1.982 -5.114 668 HA ILE 90 HA ILE 90 1.489 2.392 -5.541 669 HB ILE 90 HB ILE 90 -0.070 4.248 -6.098 670 HG12 ILE 90 HG12 ILE 90 1.788 4.884 -3.803 671 HG13 ILE 90 HG13 ILE 90 2.286 4.682 -5.480 672 HG21 ILE 90 HG21 ILE 90 -1.124 5.545 -4.322 673 HG22 ILE 90 HG22 ILE 90 -0.572 4.368 -3.130 674 HG23 ILE 90 HG23 ILE 90 -1.742 3.892 -4.362 675 HD11 ILE 90 HD11 ILE 90 0.925 6.606 -6.112 676 HD12 ILE 90 HD12 ILE 90 2.116 7.026 -4.881 677 HD13 ILE 90 HD13 ILE 90 0.425 6.803 -4.431 678 H ALA 91 H ALA 91 -0.822 1.571 -3.127 679 HA ALA 91 HA ALA 91 0.724 2.323 -0.844 680 HB1 ALA 91 HB1 ALA 91 -1.720 2.182 -0.779 681 HB2 ALA 91 HB2 ALA 91 -0.972 1.152 0.441 682 HB3 ALA 91 HB3 ALA 91 -1.621 0.440 -1.036 683 H MET 92 H MET 92 0.293 -0.649 -2.692 684 HA MET 92 HA MET 92 1.355 -2.429 -0.797 685 HB2 MET 92 HB2 MET 92 1.697 -3.981 -2.672 686 HB3 MET 92 HB3 MET 92 0.109 -3.225 -2.729 687 HG2 MET 92 HG2 MET 92 0.674 -1.895 -4.553 688 HG3 MET 92 HG3 MET 92 2.404 -2.113 -4.297 689 HE1 MET 92 HE1 MET 92 3.033 -5.730 -5.501 690 HE2 MET 92 HE2 MET 92 2.751 -5.166 -3.854 691 HE3 MET 92 HE3 MET 92 3.756 -4.219 -4.950 692 H LYS 93 H LYS 93 2.900 -0.269 -3.027 693 HA LYS 93 HA LYS 93 5.430 -1.580 -3.044 694 HB2 LYS 93 HB2 LYS 93 4.461 0.100 -4.754 695 HB3 LYS 93 HB3 LYS 93 5.009 1.338 -3.634 696 HG2 LYS 93 HG2 LYS 93 7.302 0.394 -3.801 697 HG3 LYS 93 HG3 LYS 93 6.709 -0.702 -5.050 698 HD2 LYS 93 HD2 LYS 93 5.968 1.307 -6.342 699 HD3 LYS 93 HD3 LYS 93 6.782 2.309 -5.139 700 HE2 LYS 93 HE2 LYS 93 8.367 2.106 -6.827 701 HE3 LYS 93 HE3 LYS 93 8.854 0.880 -5.659 702 HZ1 LYS 93 HZ1 LYS 93 7.632 -0.772 -7.027 703 HZ2 LYS 93 HZ2 LYS 93 8.947 -0.063 -7.838 704 HZ3 LYS 93 HZ3 LYS 93 7.370 0.438 -8.183 705 H LEU 94 H LEU 94 3.843 0.669 -0.952 706 HA LEU 94 HA LEU 94 6.101 1.894 0.211 707 HB2 LEU 94 HB2 LEU 94 3.261 1.873 0.654 708 HB3 LEU 94 HB3 LEU 94 4.107 1.745 2.181 709 HG LEU 94 HG LEU 94 5.414 3.766 1.588 710 HD11 LEU 94 HD11 LEU 94 4.669 5.174 -0.252 711 HD12 LEU 94 HD12 LEU 94 3.477 3.962 -0.719 712 HD13 LEU 94 HD13 LEU 94 5.198 3.602 -0.853 713 HD21 LEU 94 HD21 LEU 94 3.443 3.912 3.012 714 HD22 LEU 94 HD22 LEU 94 2.412 4.084 1.591 715 HD23 LEU 94 HD23 LEU 94 3.583 5.342 1.990 716 H ILE 95 H ILE 95 4.233 -0.960 1.137 717 HA ILE 95 HA ILE 95 5.477 -1.447 3.589 718 HB ILE 95 HB ILE 95 4.228 -3.398 1.636 719 HG12 ILE 95 HG12 ILE 95 2.448 -3.439 3.487 720 HG13 ILE 95 HG13 ILE 95 3.234 -1.998 4.118 721 HG21 ILE 95 HG21 ILE 95 5.806 -4.620 2.999 722 HG22 ILE 95 HG22 ILE 95 4.159 -5.014 3.494 723 HG23 ILE 95 HG23 ILE 95 5.133 -3.909 4.466 724 HD11 ILE 95 HD11 ILE 95 2.789 -0.837 2.020 725 HD12 ILE 95 HD12 ILE 95 1.305 -1.434 2.764 726 HD13 ILE 95 HD13 ILE 95 2.004 -2.284 1.386 727 H LYS 96 H LYS 96 6.211 -2.672 0.354 728 HA LYS 96 HA LYS 96 8.482 -4.171 1.051 729 HB2 LYS 96 HB2 LYS 96 7.350 -4.505 -1.059 730 HB3 LYS 96 HB3 LYS 96 7.688 -2.851 -1.548 731 HG2 LYS 96 HG2 LYS 96 10.065 -3.347 -1.647 732 HG3 LYS 96 HG3 LYS 96 9.753 -4.997 -1.100 733 HD2 LYS 96 HD2 LYS 96 8.438 -5.432 -3.094 734 HD3 LYS 96 HD3 LYS 96 8.662 -3.767 -3.630 735 HE2 LYS 96 HE2 LYS 96 11.056 -4.125 -3.820 736 HE3 LYS 96 HE3 LYS 96 10.877 -5.769 -3.209 737 HZ1 LYS 96 HZ1 LYS 96 9.495 -4.847 -5.661 738 HZ2 LYS 96 HZ2 LYS 96 9.778 -6.440 -5.147 739 HZ3 LYS 96 HZ3 LYS 96 11.068 -5.484 -5.698 740 H LEU 97 H LEU 97 8.099 -0.818 -0.024 741 HA LEU 97 HA LEU 97 10.853 -0.258 -0.295 742 HB2 LEU 97 HB2 LEU 97 9.027 1.051 -1.339 743 HB3 LEU 97 HB3 LEU 97 8.591 1.668 0.243 744 HG LEU 97 HG LEU 97 10.812 2.747 0.410 745 HD11 LEU 97 HD11 LEU 97 12.212 2.914 -1.583 746 HD12 LEU 97 HD12 LEU 97 11.133 1.811 -2.437 747 HD13 LEU 97 HD13 LEU 97 12.057 1.242 -1.047 748 HD21 LEU 97 HD21 LEU 97 8.891 4.004 -0.411 749 HD22 LEU 97 HD22 LEU 97 9.230 3.463 -2.055 750 HD23 LEU 97 HD23 LEU 97 10.372 4.516 -1.220 751 H LYS 98 H LYS 98 8.586 0.262 2.404 752 HA LYS 98 HA LYS 98 10.550 1.591 4.001 753 HB2 LYS 98 HB2 LYS 98 7.928 0.317 4.808 754 HB3 LYS 98 HB3 LYS 98 8.927 1.316 5.857 755 HG2 LYS 98 HG2 LYS 98 8.695 3.123 4.072 756 HG3 LYS 98 HG3 LYS 98 7.403 2.127 3.403 757 HD2 LYS 98 HD2 LYS 98 6.458 3.811 4.862 758 HD3 LYS 98 HD3 LYS 98 6.255 2.219 5.594 759 HE2 LYS 98 HE2 LYS 98 8.042 2.597 7.109 760 HE3 LYS 98 HE3 LYS 98 8.541 4.057 6.257 761 HZ1 LYS 98 HZ1 LYS 98 6.625 5.193 6.994 762 HZ2 LYS 98 HZ2 LYS 98 7.276 4.429 8.358 763 HZ3 LYS 98 HZ3 LYS 98 5.914 3.779 7.594 764 H LEU 99 H LEU 99 9.594 -1.740 3.549 765 HA LEU 99 HA LEU 99 11.110 -2.752 5.752 766 HB2 LEU 99 HB2 LEU 99 9.850 -3.995 3.334 767 HB3 LEU 99 HB3 LEU 99 10.943 -4.931 4.335 768 HG LEU 99 HG LEU 99 8.420 -3.598 5.321 769 HD11 LEU 99 HD11 LEU 99 7.909 -5.402 3.771 770 HD12 LEU 99 HD12 LEU 99 7.514 -5.872 5.425 771 HD13 LEU 99 HD13 LEU 99 8.980 -6.486 4.660 772 HD21 LEU 99 HD21 LEU 99 10.142 -3.865 7.042 773 HD22 LEU 99 HD22 LEU 99 10.274 -5.579 6.643 774 HD23 LEU 99 HD23 LEU 99 8.776 -4.943 7.323 775 H GLN 100 H GLN 100 11.999 -1.398 2.811 776 HA GLN 100 HA GLN 100 14.557 -2.790 2.677 777 HB2 GLN 100 HB2 GLN 100 13.481 -0.482 1.042 778 HB3 GLN 100 HB3 GLN 100 15.024 -1.274 0.770 779 HG2 GLN 100 HG2 GLN 100 12.310 -2.549 0.516 780 HG3 GLN 100 HG3 GLN 100 13.347 -2.030 -0.810 781 HE21 GLN 100 HE21 GLN 100 12.838 -4.382 1.681 782 HE22 GLN 100 HE22 GLN 100 13.991 -5.540 1.109 783 H GLY 101 H GLY 101 13.263 -0.479 4.572 784 HA2 GLY 101 HA2 GLY 101 14.457 0.741 6.196 785 HA3 GLY 101 HA3 GLY 101 15.883 0.669 5.170 786 H TYR 102 H TYR 102 12.560 1.947 4.997 787 HA TYR 102 HA TYR 102 13.640 4.552 4.250 788 HB2 TYR 102 HB2 TYR 102 11.985 2.824 2.489 789 HB3 TYR 102 HB3 TYR 102 11.611 4.538 2.513 790 HD1 TYR 102 HD1 TYR 102 13.333 6.182 1.828 791 HD2 TYR 102 HD2 TYR 102 13.917 1.997 1.356 792 HE1 TYR 102 HE1 TYR 102 15.124 6.624 0.209 793 HE2 TYR 102 HE2 TYR 102 15.722 2.428 -0.261 794 HH TYR 102 HH TYR 102 17.157 5.433 -0.661 795 H GLN 103 H GLN 103 11.880 6.173 4.062 796 HA GLN 103 HA GLN 103 9.349 5.644 5.299 797 HB2 GLN 103 HB2 GLN 103 9.570 7.336 7.077 798 HB3 GLN 103 HB3 GLN 103 10.671 5.992 7.317 799 HG2 GLN 103 HG2 GLN 103 12.088 7.685 7.786 800 HG3 GLN 103 HG3 GLN 103 12.334 7.620 6.043 801 HE21 GLN 103 HE21 GLN 103 10.817 9.348 8.659 802 HE22 GLN 103 HE22 GLN 103 10.518 10.813 7.788 803 H LEU 104 H LEU 104 7.986 7.715 5.221 804 HA LEU 104 HA LEU 104 8.926 9.772 3.452 805 HB2 LEU 104 HB2 LEU 104 7.392 9.352 1.618 806 HB3 LEU 104 HB3 LEU 104 8.501 8.015 1.819 807 HG LEU 104 HG LEU 104 5.710 7.924 2.943 808 HD11 LEU 104 HD11 LEU 104 5.489 8.387 0.576 809 HD12 LEU 104 HD12 LEU 104 5.067 6.705 0.902 810 HD13 LEU 104 HD13 LEU 104 6.632 7.102 0.193 811 HD21 LEU 104 HD21 LEU 104 7.253 6.248 3.793 812 HD22 LEU 104 HD22 LEU 104 7.698 5.795 2.148 813 HD23 LEU 104 HD23 LEU 104 6.061 5.495 2.732 814 HA PRO 105 HA PRO 105 5.598 11.997 5.341 815 HB2 PRO 105 HB2 PRO 105 5.255 13.662 2.981 816 HB3 PRO 105 HB3 PRO 105 5.975 14.079 4.536 817 HG2 PRO 105 HG2 PRO 105 7.427 13.873 2.255 818 HG3 PRO 105 HG3 PRO 105 8.092 13.516 3.860 819 HD2 PRO 105 HD2 PRO 105 7.087 11.626 1.762 820 HD3 PRO 105 HD3 PRO 105 8.536 11.504 2.784 821 H SER 106 H SER 106 3.426 13.213 4.415 822 HA SER 106 HA SER 106 1.715 10.955 3.814 823 HB2 SER 106 HB2 SER 106 -0.086 12.668 4.240 824 HB3 SER 106 HB3 SER 106 1.049 12.431 5.565 825 HG SER 106 HG SER 106 1.339 14.500 5.454 826 H ALA 107 H ALA 107 3.447 12.838 1.904 827 HA ALA 107 HA ALA 107 1.421 12.863 -0.231 828 HB1 ALA 107 HB1 ALA 107 2.502 14.814 -1.199 829 HB2 ALA 107 HB2 ALA 107 3.694 14.816 0.101 830 HB3 ALA 107 HB3 ALA 107 1.997 15.141 0.458 831 H LEU 108 H LEU 108 1.854 11.481 -1.813 832 HA LEU 108 HA LEU 108 4.458 10.287 -2.128 833 HB2 LEU 108 HB2 LEU 108 1.962 10.040 -3.824 834 HB3 LEU 108 HB3 LEU 108 3.417 9.094 -4.047 835 HG LEU 108 HG LEU 108 1.922 7.668 -2.956 836 HD11 LEU 108 HD11 LEU 108 2.895 7.298 -0.731 837 HD12 LEU 108 HD12 LEU 108 3.720 8.852 -0.858 838 HD13 LEU 108 HD13 LEU 108 4.111 7.552 -1.983 839 HD21 LEU 108 HD21 LEU 108 1.306 9.913 -1.046 840 HD22 LEU 108 HD22 LEU 108 0.680 8.267 -0.926 841 HD23 LEU 108 HD23 LEU 108 0.247 9.276 -2.307 842 HA PRO 109 HA PRO 109 5.985 13.096 -5.246 843 HB2 PRO 109 HB2 PRO 109 7.290 10.793 -6.539 844 HB3 PRO 109 HB3 PRO 109 8.018 12.225 -5.807 845 HG2 PRO 109 HG2 PRO 109 8.193 9.798 -4.659 846 HG3 PRO 109 HG3 PRO 109 8.074 11.286 -3.703 847 HD2 PRO 109 HD2 PRO 109 5.954 9.272 -4.345 848 HD3 PRO 109 HD3 PRO 109 6.264 10.135 -2.824 849 HA PRO 110 HA PRO 110 3.122 12.725 -8.548 850 HB2 PRO 110 HB2 PRO 110 5.133 13.989 -10.318 851 HB3 PRO 110 HB3 PRO 110 3.511 14.538 -9.884 852 HG2 PRO 110 HG2 PRO 110 5.662 15.739 -8.881 853 HG3 PRO 110 HG3 PRO 110 4.217 15.475 -7.886 854 HD2 PRO 110 HD2 PRO 110 6.796 13.944 -7.924 855 HD3 PRO 110 HD3 PRO 110 5.814 14.463 -6.537 856 H VAL 111 H VAL 111 6.371 11.551 -9.045 857 HA VAL 111 HA VAL 111 5.902 10.221 -11.519 858 HB VAL 111 HB VAL 111 7.879 8.945 -9.786 859 HG11 VAL 111 HG11 VAL 111 9.353 9.376 -11.703 860 HG12 VAL 111 HG12 VAL 111 8.069 10.323 -12.456 861 HG13 VAL 111 HG13 VAL 111 7.842 8.597 -12.172 862 HG21 VAL 111 HG21 VAL 111 8.176 11.891 -10.338 863 HG22 VAL 111 HG22 VAL 111 9.459 10.832 -9.750 864 HG23 VAL 111 HG23 VAL 111 8.027 11.120 -8.758 865 H MET 112 H MET 112 5.404 9.468 -8.179 866 HA MET 112 HA MET 112 4.982 6.655 -8.622 867 HB2 MET 112 HB2 MET 112 5.880 7.811 -6.488 868 HB3 MET 112 HB3 MET 112 4.193 8.182 -6.151 869 HG2 MET 112 HG2 MET 112 3.653 5.834 -6.160 870 HG3 MET 112 HG3 MET 112 5.313 5.426 -6.570 871 HE1 MET 112 HE1 MET 112 5.195 4.133 -2.928 872 HE2 MET 112 HE2 MET 112 5.672 3.788 -4.591 873 HE3 MET 112 HE3 MET 112 3.967 3.993 -4.187 874 H LYS 113 H LYS 113 3.144 9.570 -8.507 875 HA LYS 113 HA LYS 113 0.551 8.350 -8.349 876 HB2 LYS 113 HB2 LYS 113 0.960 11.008 -9.657 877 HB3 LYS 113 HB3 LYS 113 -0.308 10.495 -8.554 878 HG2 LYS 113 HG2 LYS 113 2.539 10.988 -7.722 879 HG3 LYS 113 HG3 LYS 113 1.264 12.204 -7.646 880 HD2 LYS 113 HD2 LYS 113 1.015 9.530 -6.307 881 HD3 LYS 113 HD3 LYS 113 1.771 10.915 -5.521 882 HE2 LYS 113 HE2 LYS 113 -1.055 10.760 -6.563 883 HE3 LYS 113 HE3 LYS 113 -0.556 10.768 -4.874 884 HZ1 LYS 113 HZ1 LYS 113 -1.321 12.950 -5.598 885 HZ2 LYS 113 HZ2 LYS 113 -0.124 12.989 -6.796 886 HZ3 LYS 113 HZ3 LYS 113 0.314 12.997 -5.158 887 H GLN 114 H GLN 114 2.661 9.605 -10.842 888 HA GLN 114 HA GLN 114 2.860 9.271 -13.045 889 HB2 GLN 114 HB2 GLN 114 0.704 7.204 -12.757 890 HB3 GLN 114 HB3 GLN 114 1.691 7.459 -14.185 891 HG2 GLN 114 HG2 GLN 114 3.680 6.810 -12.978 892 HG3 GLN 114 HG3 GLN 114 2.747 6.646 -11.490 893 HE21 GLN 114 HE21 GLN 114 1.304 4.934 -11.283 894 HE22 GLN 114 HE22 GLN 114 1.421 3.525 -12.277 895 H GLN 115 H GLN 115 -0.293 9.557 -11.830 896 HA GLN 115 HA GLN 115 -0.962 11.428 -13.999 897 HB2 GLN 115 HB2 GLN 115 -2.401 9.408 -13.977 898 HB3 GLN 115 HB3 GLN 115 -2.884 9.790 -12.330 899 HG2 GLN 115 HG2 GLN 115 -3.865 11.898 -13.123 900 HG3 GLN 115 HG3 GLN 115 -3.416 11.467 -14.772 901 HE21 GLN 115 HE21 GLN 115 -5.528 11.480 -15.488 902 HE22 GLN 115 HE22 GLN 115 -6.672 10.255 -15.056 903 HA PRO 116 HA PRO 116 -0.564 13.976 -10.242 904 HB2 PRO 116 HB2 PRO 116 -0.174 16.153 -12.159 905 HB3 PRO 116 HB3 PRO 116 0.918 15.560 -10.906 906 HG2 PRO 116 HG2 PRO 116 1.403 15.193 -13.530 907 HG3 PRO 116 HG3 PRO 116 1.899 14.017 -12.299 908 HD2 PRO 116 HD2 PRO 116 -0.460 13.949 -14.150 909 HD3 PRO 116 HD3 PRO 116 0.638 12.633 -13.675 910 H VAL 117 H VAL 117 -2.134 15.028 -9.241 911 HA VAL 117 HA VAL 117 -4.536 15.739 -10.721 912 HB VAL 117 HB VAL 117 -5.537 16.154 -8.482 913 HG11 VAL 117 HG11 VAL 117 -5.739 13.973 -9.551 914 HG12 VAL 117 HG12 VAL 117 -5.616 13.804 -7.800 915 HG13 VAL 117 HG13 VAL 117 -4.218 13.462 -8.819 916 HG21 VAL 117 HG21 VAL 117 -2.877 15.159 -7.451 917 HG22 VAL 117 HG22 VAL 117 -4.317 15.446 -6.474 918 HG23 VAL 117 HG23 VAL 117 -3.511 16.795 -7.275 919 H ALA 118 H ALA 118 -5.575 17.781 -10.460 920 HA ALA 118 HA ALA 118 -3.649 19.970 -10.408 921 HB1 ALA 118 HB1 ALA 118 -5.414 21.287 -11.446 922 HB2 ALA 118 HB2 ALA 118 -6.557 19.963 -11.216 923 HB3 ALA 118 HB3 ALA 118 -5.188 19.766 -12.310 924 H ILE 119 H ILE 119 -4.349 18.734 -7.916 925 HA ILE 119 HA ILE 119 -6.000 20.760 -6.603 926 HB ILE 119 HB ILE 119 -4.846 18.242 -5.391 927 HG12 ILE 119 HG12 ILE 119 -7.651 18.743 -6.410 928 HG13 ILE 119 HG13 ILE 119 -6.440 17.772 -7.240 929 HG21 ILE 119 HG21 ILE 119 -6.965 20.159 -4.426 930 HG22 ILE 119 HG22 ILE 119 -5.359 19.929 -3.735 931 HG23 ILE 119 HG23 ILE 119 -6.550 18.632 -3.648 932 HD11 ILE 119 HD11 ILE 119 -8.031 16.383 -6.037 933 HD12 ILE 119 HD12 ILE 119 -7.602 17.184 -4.526 934 HD13 ILE 119 HD13 ILE 119 -6.406 16.206 -5.377 935 H SER 120 H SER 120 -4.400 22.406 -6.879 936 HA SER 120 HA SER 120 -2.587 22.428 -4.595 937 HB2 SER 120 HB2 SER 120 -1.689 23.206 -7.386 938 HB3 SER 120 HB3 SER 120 -0.724 23.321 -5.914 939 HG SER 120 HG SER 120 -1.609 20.844 -6.035 940 H SER 121 H SER 121 -3.791 24.306 -7.369 941 HA SER 121 HA SER 121 -4.851 26.279 -5.516 942 HB2 SER 121 HB2 SER 121 -2.977 27.050 -7.772 943 HB3 SER 121 HB3 SER 121 -3.885 28.181 -6.767 944 HG SER 121 HG SER 121 -2.443 26.393 -5.293 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -15.774 2.412 14.014 2 H2 MET 1 H2 MET 1 -14.382 3.379 13.995 3 H3 MET 1 H3 MET 1 -14.329 1.803 13.369 4 HA MET 1 HA MET 1 -15.869 4.079 12.270 5 HB2 MET 1 HB2 MET 1 -13.461 2.576 11.215 6 HB3 MET 1 HB3 MET 1 -14.371 3.769 10.301 7 HG2 MET 1 HG2 MET 1 -13.766 5.481 11.937 8 HG3 MET 1 HG3 MET 1 -12.852 4.280 12.846 9 HE1 MET 1 HE1 MET 1 -10.041 6.533 11.277 10 HE2 MET 1 HE2 MET 1 -10.683 5.841 12.768 11 HE3 MET 1 HE3 MET 1 -11.617 7.047 11.881 12 H GLY 2 H GLY 2 -17.554 3.551 11.043 13 HA2 GLY 2 HA2 GLY 2 -17.851 0.703 10.295 14 HA3 GLY 2 HA3 GLY 2 -19.195 1.731 10.774 15 H HIS 3 H HIS 3 -16.528 2.552 8.611 16 HA HIS 3 HA HIS 3 -18.464 3.293 6.570 17 HB2 HIS 3 HB2 HIS 3 -15.453 3.617 6.631 18 HB3 HIS 3 HB3 HIS 3 -16.509 4.216 5.358 19 HD1 HIS 3 HD1 HIS 3 -14.704 5.508 8.015 20 HD2 HIS 3 HD2 HIS 3 -18.677 5.935 6.854 21 HE1 HIS 3 HE1 HIS 3 -15.495 7.654 9.062 22 HE2 HIS 3 HE2 HIS 3 -17.945 7.779 8.513 23 H HIS 4 H HIS 4 -19.221 1.530 5.576 24 HA HIS 4 HA HIS 4 -17.492 -0.695 4.919 25 HB2 HIS 4 HB2 HIS 4 -19.961 -0.823 5.642 26 HB3 HIS 4 HB3 HIS 4 -20.342 -0.306 4.006 27 HD1 HIS 4 HD1 HIS 4 -19.635 -3.249 6.011 28 HD2 HIS 4 HD2 HIS 4 -19.432 -2.235 1.979 29 HE1 HIS 4 HE1 HIS 4 -19.496 -5.428 4.769 30 HE2 HIS 4 HE2 HIS 4 -19.259 -4.795 2.343 31 H HIS 5 H HIS 5 -16.616 -1.125 2.949 32 HA HIS 5 HA HIS 5 -16.418 0.916 1.018 33 HB2 HIS 5 HB2 HIS 5 -14.733 -0.901 1.339 34 HB3 HIS 5 HB3 HIS 5 -15.873 -2.037 0.626 35 HD1 HIS 5 HD1 HIS 5 -13.131 0.133 -0.236 36 HD2 HIS 5 HD2 HIS 5 -16.523 -1.271 -2.187 37 HE1 HIS 5 HE1 HIS 5 -12.688 0.465 -2.682 38 HE2 HIS 5 HE2 HIS 5 -14.814 -0.241 -3.834 39 H HIS 6 H HIS 6 -18.272 1.615 0.103 40 HA HIS 6 HA HIS 6 -19.889 -0.395 -1.317 41 HB2 HIS 6 HB2 HIS 6 -20.971 0.911 0.620 42 HB3 HIS 6 HB3 HIS 6 -20.906 2.307 -0.451 43 HD1 HIS 6 HD1 HIS 6 -22.957 2.637 -1.809 44 HD2 HIS 6 HD2 HIS 6 -22.430 -1.334 -0.697 45 HE1 HIS 6 HE1 HIS 6 -24.961 1.408 -2.701 46 HE2 HIS 6 HE2 HIS 6 -24.541 -1.015 -2.138 47 H HIS 7 H HIS 7 -18.629 -0.281 -3.167 48 HA HIS 7 HA HIS 7 -19.224 1.693 -5.080 49 HB2 HIS 7 HB2 HIS 7 -17.761 3.174 -3.832 50 HB3 HIS 7 HB3 HIS 7 -16.503 1.945 -3.767 51 HD1 HIS 7 HD1 HIS 7 -14.727 2.144 -5.509 52 HD2 HIS 7 HD2 HIS 7 -18.256 4.060 -6.628 53 HE1 HIS 7 HE1 HIS 7 -14.216 3.315 -7.676 54 HE2 HIS 7 HE2 HIS 7 -16.305 4.608 -8.235 55 H HIS 8 H HIS 8 -19.333 0.329 -6.746 56 HA HIS 8 HA HIS 8 -17.618 -1.893 -7.148 57 HB2 HIS 8 HB2 HIS 8 -19.929 -1.391 -8.204 58 HB3 HIS 8 HB3 HIS 8 -19.039 -0.411 -9.361 59 HD1 HIS 8 HD1 HIS 8 -19.451 -1.855 -11.392 60 HD2 HIS 8 HD2 HIS 8 -17.806 -3.962 -8.206 61 HE1 HIS 8 HE1 HIS 8 -18.864 -4.128 -12.305 62 HE2 HIS 8 HE2 HIS 8 -18.047 -5.438 -10.318 63 H SER 9 H SER 9 -15.572 -1.934 -7.878 64 HA SER 9 HA SER 9 -14.143 0.486 -7.861 65 HB2 SER 9 HB2 SER 9 -13.237 -1.691 -7.110 66 HB3 SER 9 HB3 SER 9 -13.181 -2.223 -8.791 67 HG SER 9 HG SER 9 -11.731 -0.107 -7.567 68 H HIS 10 H HIS 10 -12.681 1.300 -9.430 69 HA HIS 10 HA HIS 10 -13.198 0.673 -12.238 70 HB2 HIS 10 HB2 HIS 10 -13.387 3.428 -11.008 71 HB3 HIS 10 HB3 HIS 10 -13.075 3.183 -12.719 72 HD1 HIS 10 HD1 HIS 10 -15.035 2.454 -14.199 73 HD2 HIS 10 HD2 HIS 10 -16.011 2.891 -10.176 74 HE1 HIS 10 HE1 HIS 10 -17.553 2.495 -14.105 75 HE2 HIS 10 HE2 HIS 10 -18.092 3.033 -11.703 76 H MET 11 H MET 11 -11.115 -0.295 -12.259 77 HA MET 11 HA MET 11 -9.047 1.653 -12.718 78 HB2 MET 11 HB2 MET 11 -7.401 0.745 -11.177 79 HB3 MET 11 HB3 MET 11 -8.809 1.320 -10.302 80 HG2 MET 11 HG2 MET 11 -8.517 -0.619 -9.203 81 HG3 MET 11 HG3 MET 11 -9.490 -1.245 -10.532 82 HE1 MET 11 HE1 MET 11 -7.617 -2.975 -8.623 83 HE2 MET 11 HE2 MET 11 -6.800 -4.052 -9.756 84 HE3 MET 11 HE3 MET 11 -8.525 -3.735 -9.928 85 H ALA 12 H ALA 12 -8.146 1.109 -14.523 86 HA ALA 12 HA ALA 12 -7.280 -1.631 -14.982 87 HB1 ALA 12 HB1 ALA 12 -8.271 -1.725 -17.217 88 HB2 ALA 12 HB2 ALA 12 -9.034 -0.157 -16.952 89 HB3 ALA 12 HB3 ALA 12 -9.517 -1.547 -15.982 90 H GLN 13 H GLN 13 -6.286 1.265 -14.593 91 HA GLN 13 HA GLN 13 -4.818 1.673 -17.071 92 HB2 GLN 13 HB2 GLN 13 -5.053 3.306 -14.549 93 HB3 GLN 13 HB3 GLN 13 -3.888 3.686 -15.808 94 HG2 GLN 13 HG2 GLN 13 -5.731 3.931 -17.410 95 HG3 GLN 13 HG3 GLN 13 -6.881 3.607 -16.112 96 HE21 GLN 13 HE21 GLN 13 -4.587 5.872 -17.412 97 HE22 GLN 13 HE22 GLN 13 -5.094 7.234 -16.477 98 H PHE 14 H PHE 14 -3.360 0.017 -17.143 99 HA PHE 14 HA PHE 14 -1.512 -0.371 -14.950 100 HB2 PHE 14 HB2 PHE 14 -0.413 -2.006 -16.501 101 HB3 PHE 14 HB3 PHE 14 -2.106 -2.353 -16.177 102 HD1 PHE 14 HD2 PHE 14 -3.798 -1.987 -17.916 103 HD2 PHE 14 HD1 PHE 14 0.352 -1.460 -18.695 104 HE1 PHE 14 HE2 PHE 14 -4.247 -2.078 -20.333 105 HE2 PHE 14 HE1 PHE 14 -0.087 -1.552 -21.114 106 HZ PHE 14 HZ PHE 14 -2.388 -1.861 -21.937 107 HA PRO 15 HA PRO 15 1.214 2.783 -16.337 108 HB2 PRO 15 HB2 PRO 15 3.323 1.567 -14.742 109 HB3 PRO 15 HB3 PRO 15 2.457 3.080 -14.472 110 HG2 PRO 15 HG2 PRO 15 2.155 0.888 -12.899 111 HG3 PRO 15 HG3 PRO 15 0.871 2.083 -13.149 112 HD2 PRO 15 HD2 PRO 15 1.232 -0.614 -14.395 113 HD3 PRO 15 HD3 PRO 15 -0.256 0.185 -13.843 114 H THR 16 H THR 16 2.561 3.020 -17.999 115 HA THR 16 HA THR 16 3.579 0.659 -19.309 116 HB THR 16 HB THR 16 2.626 2.275 -20.772 117 HG1 THR 16 HG1 THR 16 4.247 2.433 -22.219 118 HG21 THR 16 HG21 THR 16 4.518 4.308 -19.588 119 HG22 THR 16 HG22 THR 16 2.768 4.249 -19.370 120 HG23 THR 16 HG23 THR 16 3.446 4.586 -20.963 121 HA PRO 17 HA PRO 17 7.296 0.808 -16.865 122 HB2 PRO 17 HB2 PRO 17 8.197 -1.179 -18.863 123 HB3 PRO 17 HB3 PRO 17 8.122 -1.303 -17.103 124 HG2 PRO 17 HG2 PRO 17 6.377 -2.584 -18.674 125 HG3 PRO 17 HG3 PRO 17 5.899 -1.906 -17.107 126 HD2 PRO 17 HD2 PRO 17 5.383 -0.874 -19.857 127 HD3 PRO 17 HD3 PRO 17 4.357 -0.822 -18.415 128 H PHE 18 H PHE 18 9.112 1.884 -17.000 129 HA PHE 18 HA PHE 18 10.188 2.525 -19.654 130 HB2 PHE 18 HB2 PHE 18 10.996 4.689 -18.654 131 HB3 PHE 18 HB3 PHE 18 9.251 4.559 -18.819 132 HD1 PHE 18 HD1 PHE 18 7.912 3.914 -16.739 133 HD2 PHE 18 HD2 PHE 18 11.960 5.225 -16.606 134 HE1 PHE 18 HE1 PHE 18 7.639 4.501 -14.366 135 HE2 PHE 18 HE2 PHE 18 11.696 5.808 -14.229 136 HZ PHE 18 HZ PHE 18 9.531 5.446 -13.107 137 H GLY 19 H GLY 19 11.962 1.403 -19.931 138 HA2 GLY 19 HA2 GLY 19 13.582 0.526 -17.706 139 HA3 GLY 19 HA3 GLY 19 13.870 0.188 -19.410 140 H GLY 20 H GLY 20 15.957 0.844 -17.719 141 HA2 GLY 20 HA2 GLY 20 17.859 2.169 -18.136 142 HA3 GLY 20 HA3 GLY 20 16.835 3.349 -18.947 143 H SER 21 H SER 21 15.019 4.137 -17.279 144 HA SER 21 HA SER 21 16.467 5.328 -15.068 145 HB2 SER 21 HB2 SER 21 13.555 5.665 -15.833 146 HB3 SER 21 HB3 SER 21 14.507 6.720 -14.789 147 HG SER 21 HG SER 21 15.361 7.642 -16.487 148 H LEU 22 H LEU 22 16.124 4.862 -12.911 149 HA LEU 22 HA LEU 22 15.016 2.282 -12.361 150 HB2 LEU 22 HB2 LEU 22 15.974 4.401 -10.450 151 HB3 LEU 22 HB3 LEU 22 15.585 2.752 -10.015 152 HG LEU 22 HG LEU 22 17.842 3.625 -11.818 153 HD11 LEU 22 HD11 LEU 22 19.270 2.790 -10.022 154 HD12 LEU 22 HD12 LEU 22 17.841 2.446 -9.047 155 HD13 LEU 22 HD13 LEU 22 18.239 4.110 -9.470 156 HD21 LEU 22 HD21 LEU 22 17.015 0.868 -10.910 157 HD22 LEU 22 HD22 LEU 22 18.500 1.257 -11.780 158 HD23 LEU 22 HD23 LEU 22 16.935 1.497 -12.557 159 H ASP 23 H ASP 23 13.043 1.788 -11.874 160 HA ASP 23 HA ASP 23 11.056 3.864 -11.418 161 HB2 ASP 23 HB2 ASP 23 9.440 1.949 -11.611 162 HB3 ASP 23 HB3 ASP 23 10.461 2.178 -13.028 163 H THR 24 H THR 24 12.988 3.375 -9.362 164 HA THR 24 HA THR 24 12.117 1.636 -7.341 165 HB THR 24 HB THR 24 13.676 4.186 -6.944 166 HG1 THR 24 HG1 THR 24 14.300 1.832 -8.281 167 HG21 THR 24 HG21 THR 24 14.732 2.958 -5.109 168 HG22 THR 24 HG22 THR 24 13.740 1.545 -5.471 169 HG23 THR 24 HG23 THR 24 12.984 3.026 -4.883 170 H TRP 25 H TRP 25 11.219 4.927 -8.127 171 HA TRP 25 HA TRP 25 9.393 4.933 -5.821 172 HB2 TRP 25 HB2 TRP 25 10.865 7.131 -7.214 173 HB3 TRP 25 HB3 TRP 25 9.349 7.470 -6.394 174 HD1 TRP 25 HD1 TRP 25 12.896 7.551 -5.732 175 HE1 TRP 25 HE1 TRP 25 13.406 7.427 -3.209 176 HE3 TRP 25 HE3 TRP 25 8.332 5.969 -4.059 177 HZ2 TRP 25 HZ2 TRP 25 12.046 6.731 -0.823 178 HZ3 TRP 25 HZ3 TRP 25 8.021 5.591 -1.650 179 HH2 TRP 25 HH2 TRP 25 9.837 5.961 -0.068 180 H ALA 26 H ALA 26 9.321 4.109 -8.827 181 HA ALA 26 HA ALA 26 6.780 5.440 -9.470 182 HB1 ALA 26 HB1 ALA 26 8.653 3.941 -11.302 183 HB2 ALA 26 HB2 ALA 26 8.516 5.695 -11.176 184 HB3 ALA 26 HB3 ALA 26 7.159 4.746 -11.784 185 H ILE 27 H ILE 27 5.259 3.974 -10.747 186 HA ILE 27 HA ILE 27 5.218 1.301 -9.510 187 HB ILE 27 HB ILE 27 2.925 2.940 -10.611 188 HG12 ILE 27 HG12 ILE 27 3.512 1.977 -7.800 189 HG13 ILE 27 HG13 ILE 27 3.793 3.611 -8.383 190 HG21 ILE 27 HG21 ILE 27 2.625 0.557 -11.104 191 HG22 ILE 27 HG22 ILE 27 1.464 1.126 -9.905 192 HG23 ILE 27 HG23 ILE 27 2.862 0.178 -9.395 193 HD11 ILE 27 HD11 ILE 27 1.116 2.247 -8.214 194 HD12 ILE 27 HD12 ILE 27 1.406 3.899 -8.760 195 HD13 ILE 27 HD13 ILE 27 1.739 3.452 -7.087 196 H THR 28 H THR 28 5.388 -0.421 -10.754 197 HA THR 28 HA THR 28 5.246 -0.094 -13.676 198 HB THR 28 HB THR 28 7.074 -2.180 -12.954 199 HG1 THR 28 HG1 THR 28 8.648 -0.697 -11.914 200 HG21 THR 28 HG21 THR 28 7.103 -0.942 -15.066 201 HG22 THR 28 HG22 THR 28 8.658 -0.808 -14.245 202 HG23 THR 28 HG23 THR 28 7.521 0.539 -14.203 203 H VAL 29 H VAL 29 5.404 -2.532 -14.613 204 HA VAL 29 HA VAL 29 2.970 -3.777 -13.876 205 HB VAL 29 HB VAL 29 5.171 -4.867 -15.643 206 HG11 VAL 29 HG11 VAL 29 3.392 -6.230 -16.645 207 HG12 VAL 29 HG12 VAL 29 2.250 -5.610 -15.452 208 HG13 VAL 29 HG13 VAL 29 3.616 -6.598 -14.934 209 HG21 VAL 29 HG21 VAL 29 3.889 -3.966 -17.506 210 HG22 VAL 29 HG22 VAL 29 4.374 -2.681 -16.401 211 HG23 VAL 29 HG23 VAL 29 2.715 -3.278 -16.385 212 H GLU 30 H GLU 30 6.353 -4.427 -13.127 213 HA GLU 30 HA GLU 30 5.863 -6.907 -11.841 214 HB2 GLU 30 HB2 GLU 30 8.112 -4.922 -11.795 215 HB3 GLU 30 HB3 GLU 30 8.087 -6.261 -10.666 216 HG2 GLU 30 HG2 GLU 30 9.421 -6.928 -12.497 217 HG3 GLU 30 HG3 GLU 30 7.899 -7.808 -12.619 218 H GLU 31 H GLU 31 5.655 -3.566 -10.893 219 HA GLU 31 HA GLU 31 5.375 -4.115 -8.090 220 HB2 GLU 31 HB2 GLU 31 4.532 -1.583 -9.510 221 HB3 GLU 31 HB3 GLU 31 4.982 -1.776 -7.825 222 HG2 GLU 31 HG2 GLU 31 6.807 -1.996 -10.201 223 HG3 GLU 31 HG3 GLU 31 6.741 -0.674 -9.040 224 H ARG 32 H ARG 32 3.223 -3.509 -10.825 225 HA ARG 32 HA ARG 32 0.836 -3.395 -9.328 226 HB2 ARG 32 HB2 ARG 32 -0.327 -3.633 -11.399 227 HB3 ARG 32 HB3 ARG 32 1.076 -2.623 -11.700 228 HG2 ARG 32 HG2 ARG 32 1.049 -3.963 -13.546 229 HG3 ARG 32 HG3 ARG 32 2.155 -4.843 -12.493 230 HD2 ARG 32 HD2 ARG 32 0.693 -6.446 -13.450 231 HD3 ARG 32 HD3 ARG 32 0.193 -6.238 -11.774 232 HE ARG 32 HE ARG 32 -1.198 -4.994 -14.065 233 HH11 ARG 32 HH11 ARG 32 -1.225 -6.489 -10.902 234 HH12 ARG 32 HH12 ARG 32 -2.951 -6.579 -10.810 235 HH21 ARG 32 HH21 ARG 32 -3.460 -5.087 -13.962 236 HH22 ARG 32 HH22 ARG 32 -4.236 -5.752 -12.559 237 H ALA 33 H ALA 33 2.695 -6.025 -10.619 238 HA ALA 33 HA ALA 33 0.823 -8.079 -9.954 239 HB1 ALA 33 HB1 ALA 33 2.623 -9.628 -10.449 240 HB2 ALA 33 HB2 ALA 33 3.788 -8.304 -10.443 241 HB3 ALA 33 HB3 ALA 33 2.539 -8.373 -11.685 242 H LYS 34 H LYS 34 3.256 -6.335 -8.222 243 HA LYS 34 HA LYS 34 3.903 -8.166 -6.212 244 HB2 LYS 34 HB2 LYS 34 5.180 -6.113 -6.589 245 HB3 LYS 34 HB3 LYS 34 3.805 -5.146 -6.087 246 HG2 LYS 34 HG2 LYS 34 4.984 -7.137 -4.198 247 HG3 LYS 34 HG3 LYS 34 5.763 -5.574 -4.440 248 HD2 LYS 34 HD2 LYS 34 3.816 -4.405 -3.707 249 HD3 LYS 34 HD3 LYS 34 2.854 -5.884 -3.720 250 HE2 LYS 34 HE2 LYS 34 5.146 -5.239 -1.872 251 HE3 LYS 34 HE3 LYS 34 3.436 -5.293 -1.454 252 HZ1 LYS 34 HZ1 LYS 34 4.246 -7.326 -0.754 253 HZ2 LYS 34 HZ2 LYS 34 5.255 -7.523 -2.092 254 HZ3 LYS 34 HZ3 LYS 34 3.579 -7.703 -2.261 255 H HIS 35 H HIS 35 1.283 -5.761 -6.346 256 HA HIS 35 HA HIS 35 0.391 -6.483 -3.720 257 HB2 HIS 35 HB2 HIS 35 -1.516 -5.005 -4.086 258 HB3 HIS 35 HB3 HIS 35 0.001 -4.226 -4.478 259 HD1 HIS 35 HD1 HIS 35 -2.942 -5.839 -6.291 260 HD2 HIS 35 HD2 HIS 35 0.020 -2.973 -6.858 261 HE1 HIS 35 HE1 HIS 35 -3.528 -4.667 -8.431 262 HE2 HIS 35 HE2 HIS 35 -1.895 -2.757 -8.576 263 H ASP 36 H ASP 36 -0.342 -7.501 -6.933 264 HA ASP 36 HA ASP 36 -2.822 -8.718 -6.615 265 HB2 ASP 36 HB2 ASP 36 -0.479 -9.243 -8.389 266 HB3 ASP 36 HB3 ASP 36 -1.776 -10.430 -8.340 267 H GLN 37 H GLN 37 0.390 -10.013 -5.897 268 HA GLN 37 HA GLN 37 -0.366 -12.646 -5.321 269 HB2 GLN 37 HB2 GLN 37 1.955 -10.995 -4.316 270 HB3 GLN 37 HB3 GLN 37 1.787 -12.719 -4.019 271 HG2 GLN 37 HG2 GLN 37 1.838 -11.525 -6.773 272 HG3 GLN 37 HG3 GLN 37 3.285 -12.074 -5.927 273 HE21 GLN 37 HE21 GLN 37 3.696 -13.633 -7.491 274 HE22 GLN 37 HE22 GLN 37 2.764 -15.083 -7.618 275 H GLN 38 H GLN 38 0.031 -9.869 -3.154 276 HA GLN 38 HA GLN 38 -0.714 -11.393 -0.838 277 HB2 GLN 38 HB2 GLN 38 -0.291 -8.428 -1.231 278 HB3 GLN 38 HB3 GLN 38 -0.611 -9.187 0.321 279 HG2 GLN 38 HG2 GLN 38 1.438 -10.453 0.173 280 HG3 GLN 38 HG3 GLN 38 1.747 -9.813 -1.440 281 HE21 GLN 38 HE21 GLN 38 3.365 -9.636 0.995 282 HE22 GLN 38 HE22 GLN 38 3.586 -7.950 1.315 283 H PHE 39 H PHE 39 -2.304 -9.232 -3.074 284 HA PHE 39 HA PHE 39 -4.600 -8.652 -1.540 285 HB2 PHE 39 HB2 PHE 39 -3.649 -7.696 -3.841 286 HB3 PHE 39 HB3 PHE 39 -4.806 -8.842 -4.504 287 HD1 PHE 39 HD1 PHE 39 -7.234 -8.635 -3.812 288 HD2 PHE 39 HD2 PHE 39 -4.324 -5.636 -3.019 289 HE1 PHE 39 HE1 PHE 39 -9.030 -6.976 -3.501 290 HE2 PHE 39 HE2 PHE 39 -6.110 -3.978 -2.708 291 HZ PHE 39 HZ PHE 39 -8.469 -4.640 -2.961 292 H HIS 40 H HIS 40 -3.735 -11.270 -3.680 293 HA HIS 40 HA HIS 40 -6.194 -12.509 -4.077 294 HB2 HIS 40 HB2 HIS 40 -3.944 -13.076 -5.115 295 HB3 HIS 40 HB3 HIS 40 -3.565 -13.938 -3.632 296 HD1 HIS 40 HD1 HIS 40 -4.865 -14.461 -6.906 297 HD2 HIS 40 HD2 HIS 40 -5.627 -16.099 -3.157 298 HE1 HIS 40 HE1 HIS 40 -5.973 -16.681 -7.343 299 HE2 HIS 40 HE2 HIS 40 -6.282 -17.719 -5.065 300 H SER 41 H SER 41 -3.971 -12.642 -1.369 301 HA SER 41 HA SER 41 -5.306 -14.764 -0.025 302 HB2 SER 41 HB2 SER 41 -3.243 -12.803 0.997 303 HB3 SER 41 HB3 SER 41 -3.698 -14.326 1.756 304 HG SER 41 HG SER 41 -1.763 -14.165 0.210 305 H LEU 42 H LEU 42 -5.906 -11.424 -0.264 306 HA LEU 42 HA LEU 42 -6.977 -11.036 2.366 307 HB2 LEU 42 HB2 LEU 42 -7.424 -9.412 -0.136 308 HB3 LEU 42 HB3 LEU 42 -7.781 -8.903 1.501 309 HG LEU 42 HG LEU 42 -5.043 -9.404 0.342 310 HD11 LEU 42 HD11 LEU 42 -6.059 -7.337 -0.419 311 HD12 LEU 42 HD12 LEU 42 -4.751 -6.999 0.716 312 HD13 LEU 42 HD13 LEU 42 -6.430 -6.887 1.247 313 HD21 LEU 42 HD21 LEU 42 -5.112 -10.095 2.674 314 HD22 LEU 42 HD22 LEU 42 -5.846 -8.555 3.121 315 HD23 LEU 42 HD23 LEU 42 -4.198 -8.597 2.496 316 H LYS 43 H LYS 43 -8.087 -12.654 -0.338 317 HA LYS 43 HA LYS 43 -10.058 -13.494 -1.050 318 HB2 LYS 43 HB2 LYS 43 -10.505 -13.182 1.857 319 HB3 LYS 43 HB3 LYS 43 -11.946 -13.368 0.871 320 HG2 LYS 43 HG2 LYS 43 -11.337 -15.523 1.611 321 HG3 LYS 43 HG3 LYS 43 -10.905 -15.432 -0.095 322 HD2 LYS 43 HD2 LYS 43 -9.128 -16.519 1.107 323 HD3 LYS 43 HD3 LYS 43 -8.569 -14.934 0.571 324 HE2 LYS 43 HE2 LYS 43 -7.903 -15.464 2.892 325 HE3 LYS 43 HE3 LYS 43 -8.897 -14.015 2.769 326 HZ1 LYS 43 HZ1 LYS 43 -10.763 -15.171 3.600 327 HZ2 LYS 43 HZ2 LYS 43 -9.472 -15.571 4.623 328 HZ3 LYS 43 HZ3 LYS 43 -10.005 -16.682 3.454 329 HA PRO 44 HA PRO 44 -12.003 -9.336 -1.775 330 HB2 PRO 44 HB2 PRO 44 -11.343 -9.139 -4.395 331 HB3 PRO 44 HB3 PRO 44 -10.319 -8.503 -3.106 332 HG2 PRO 44 HG2 PRO 44 -10.059 -11.034 -4.666 333 HG3 PRO 44 HG3 PRO 44 -8.799 -9.917 -4.121 334 HD2 PRO 44 HD2 PRO 44 -9.379 -12.283 -2.867 335 HD3 PRO 44 HD3 PRO 44 -8.671 -10.878 -2.046 336 H ILE 45 H ILE 45 -14.078 -9.352 -2.467 337 HA ILE 45 HA ILE 45 -15.051 -11.864 -3.561 338 HB ILE 45 HB ILE 45 -16.633 -9.501 -2.544 339 HG12 ILE 45 HG12 ILE 45 -15.321 -10.498 -0.759 340 HG13 ILE 45 HG13 ILE 45 -17.012 -10.942 -0.554 341 HG21 ILE 45 HG21 ILE 45 -17.917 -10.837 -4.108 342 HG22 ILE 45 HG22 ILE 45 -18.511 -11.095 -2.467 343 HG23 ILE 45 HG23 ILE 45 -17.490 -12.309 -3.238 344 HD11 ILE 45 HD11 ILE 45 -16.558 -13.138 -1.503 345 HD12 ILE 45 HD12 ILE 45 -15.531 -12.819 -0.105 346 HD13 ILE 45 HD13 ILE 45 -14.867 -12.694 -1.733 347 H SER 46 H SER 46 -16.248 -8.572 -4.196 348 HA SER 46 HA SER 46 -16.332 -9.305 -7.040 349 HB2 SER 46 HB2 SER 46 -18.068 -7.314 -5.559 350 HB3 SER 46 HB3 SER 46 -18.241 -7.796 -7.248 351 HG SER 46 HG SER 46 -18.491 -10.001 -6.371 352 H GLY 47 H GLY 47 -13.942 -8.413 -6.192 353 HA2 GLY 47 HA2 GLY 47 -12.328 -6.959 -6.954 354 HA3 GLY 47 HA3 GLY 47 -13.582 -6.107 -7.841 355 H PHE 48 H PHE 48 -14.027 -6.551 -4.445 356 HA PHE 48 HA PHE 48 -12.942 -3.915 -3.867 357 HB2 PHE 48 HB2 PHE 48 -14.952 -3.054 -2.926 358 HB3 PHE 48 HB3 PHE 48 -15.370 -3.659 -4.521 359 HD1 PHE 48 HD1 PHE 48 -16.455 -5.969 -4.657 360 HD2 PHE 48 HD2 PHE 48 -16.098 -3.763 -1.037 361 HE1 PHE 48 HE1 PHE 48 -18.256 -7.317 -3.661 362 HE2 PHE 48 HE2 PHE 48 -17.895 -5.109 -0.033 363 HZ PHE 48 HZ PHE 48 -18.977 -6.889 -1.347 364 H ILE 49 H ILE 49 -12.433 -3.581 -1.719 365 HA ILE 49 HA ILE 49 -12.906 -5.757 0.183 366 HB ILE 49 HB ILE 49 -10.657 -5.876 0.931 367 HG12 ILE 49 HG12 ILE 49 -10.026 -3.519 0.736 368 HG13 ILE 49 HG13 ILE 49 -8.807 -4.556 0.020 369 HG21 ILE 49 HG21 ILE 49 -9.438 -6.696 -1.028 370 HG22 ILE 49 HG22 ILE 49 -10.636 -5.939 -2.077 371 HG23 ILE 49 HG23 ILE 49 -11.112 -7.251 -1.000 372 HD11 ILE 49 HD11 ILE 49 -9.679 -4.006 -2.203 373 HD12 ILE 49 HD12 ILE 49 -9.141 -2.580 -1.317 374 HD13 ILE 49 HD13 ILE 49 -10.864 -2.934 -1.457 375 H THR 50 H THR 50 -12.137 -4.975 2.454 376 HA THR 50 HA THR 50 -12.525 -2.068 2.655 377 HB THR 50 HB THR 50 -13.744 -3.831 4.755 378 HG1 THR 50 HG1 THR 50 -14.376 -4.192 2.288 379 HG21 THR 50 HG21 THR 50 -13.701 -1.396 5.077 380 HG22 THR 50 HG22 THR 50 -15.355 -1.981 4.888 381 HG23 THR 50 HG23 THR 50 -14.544 -1.177 3.544 382 H GLY 51 H GLY 51 -12.406 -1.939 5.489 383 HA2 GLY 51 HA2 GLY 51 -9.710 -1.543 5.913 384 HA3 GLY 51 HA3 GLY 51 -10.895 -1.730 7.190 385 H ASP 52 H ASP 52 -11.591 -4.452 6.628 386 HA ASP 52 HA ASP 52 -9.780 -5.830 8.219 387 HB2 ASP 52 HB2 ASP 52 -11.768 -6.846 6.187 388 HB3 ASP 52 HB3 ASP 52 -10.883 -7.890 7.285 389 H GLN 53 H GLN 53 -10.142 -5.899 4.698 390 HA GLN 53 HA GLN 53 -8.045 -7.742 4.237 391 HB2 GLN 53 HB2 GLN 53 -9.401 -5.741 2.433 392 HB3 GLN 53 HB3 GLN 53 -8.165 -6.850 1.867 393 HG2 GLN 53 HG2 GLN 53 -10.330 -7.702 1.302 394 HG3 GLN 53 HG3 GLN 53 -9.595 -8.739 2.520 395 HE21 GLN 53 HE21 GLN 53 -10.598 -9.031 4.427 396 HE22 GLN 53 HE22 GLN 53 -12.130 -8.338 4.838 397 H ALA 54 H ALA 54 -8.254 -4.218 4.075 398 HA ALA 54 HA ALA 54 -5.720 -3.664 3.080 399 HB1 ALA 54 HB1 ALA 54 -7.314 -2.008 5.034 400 HB2 ALA 54 HB2 ALA 54 -7.517 -2.006 3.281 401 HB3 ALA 54 HB3 ALA 54 -6.010 -1.432 3.994 402 H ARG 55 H ARG 55 -6.774 -4.024 6.454 403 HA ARG 55 HA ARG 55 -4.342 -3.342 7.658 404 HB2 ARG 55 HB2 ARG 55 -6.464 -3.496 8.890 405 HB3 ARG 55 HB3 ARG 55 -6.469 -5.240 8.673 406 HG2 ARG 55 HG2 ARG 55 -4.410 -5.404 9.990 407 HG3 ARG 55 HG3 ARG 55 -4.427 -3.655 10.218 408 HD2 ARG 55 HD2 ARG 55 -6.574 -3.825 11.379 409 HD3 ARG 55 HD3 ARG 55 -6.569 -5.572 11.138 410 HE ARG 55 HE ARG 55 -4.199 -4.839 12.448 411 HH11 ARG 55 HH11 ARG 55 -7.649 -4.957 13.102 412 HH12 ARG 55 HH12 ARG 55 -7.434 -5.228 14.805 413 HH21 ARG 55 HH21 ARG 55 -3.928 -5.194 14.669 414 HH22 ARG 55 HH22 ARG 55 -5.324 -5.403 15.689 415 H ASN 56 H ASN 56 -5.584 -6.527 6.695 416 HA ASN 56 HA ASN 56 -3.358 -7.961 7.696 417 HB2 ASN 56 HB2 ASN 56 -5.572 -8.634 5.782 418 HB3 ASN 56 HB3 ASN 56 -4.242 -9.754 6.057 419 HD21 ASN 56 HD21 ASN 56 -7.068 -8.272 7.411 420 HD22 ASN 56 HD22 ASN 56 -7.174 -9.290 8.810 421 H PHE 57 H PHE 57 -4.028 -6.364 4.670 422 HA PHE 57 HA PHE 57 -2.159 -7.619 3.020 423 HB2 PHE 57 HB2 PHE 57 -3.925 -6.072 2.239 424 HB3 PHE 57 HB3 PHE 57 -3.022 -4.727 2.925 425 HD1 PHE 57 HD1 PHE 57 -0.893 -4.025 1.929 426 HD2 PHE 57 HD2 PHE 57 -3.261 -7.100 0.184 427 HE1 PHE 57 HE1 PHE 57 0.372 -3.811 -0.163 428 HE2 PHE 57 HE2 PHE 57 -2.001 -6.882 -1.919 429 HZ PHE 57 HZ PHE 57 -0.177 -5.233 -2.093 430 H PHE 58 H PHE 58 -1.734 -4.518 4.793 431 HA PHE 58 HA PHE 58 1.052 -4.578 4.056 432 HB2 PHE 58 HB2 PHE 58 1.155 -2.490 5.587 433 HB3 PHE 58 HB3 PHE 58 0.334 -2.390 4.041 434 HD1 PHE 58 HD2 PHE 58 -0.537 -3.278 7.578 435 HD2 PHE 58 HD1 PHE 58 -1.591 -1.196 4.021 436 HE1 PHE 58 HE2 PHE 58 -2.524 -2.361 8.706 437 HE2 PHE 58 HE1 PHE 58 -3.575 -0.274 5.142 438 HZ PHE 58 HZ PHE 58 -4.044 -0.855 7.487 439 H PHE 59 H PHE 59 -0.812 -5.560 6.792 440 HA PHE 59 HA PHE 59 1.347 -5.639 8.656 441 HB2 PHE 59 HB2 PHE 59 -1.092 -5.692 9.273 442 HB3 PHE 59 HB3 PHE 59 -1.154 -7.344 8.669 443 HD1 PHE 59 HD1 PHE 59 0.744 -5.224 11.058 444 HD2 PHE 59 HD2 PHE 59 -0.798 -9.079 10.146 445 HE1 PHE 59 HE1 PHE 59 1.476 -6.034 13.265 446 HE2 PHE 59 HE2 PHE 59 -0.073 -9.897 12.348 447 HZ PHE 59 HZ PHE 59 1.067 -8.372 13.913 448 H GLN 60 H GLN 60 0.205 -7.712 6.132 449 HA GLN 60 HA GLN 60 1.534 -10.103 6.799 450 HB2 GLN 60 HB2 GLN 60 -0.230 -9.487 4.933 451 HB3 GLN 60 HB3 GLN 60 1.198 -9.201 3.957 452 HG2 GLN 60 HG2 GLN 60 0.527 -11.798 5.325 453 HG3 GLN 60 HG3 GLN 60 0.213 -11.430 3.633 454 HE21 GLN 60 HE21 GLN 60 2.532 -12.402 5.960 455 HE22 GLN 60 HE22 GLN 60 3.861 -12.618 4.872 456 H SER 61 H SER 61 2.545 -7.206 5.061 457 HA SER 61 HA SER 61 4.997 -8.230 4.107 458 HB2 SER 61 HB2 SER 61 4.162 -5.359 4.554 459 HB3 SER 61 HB3 SER 61 5.546 -5.885 3.594 460 HG SER 61 HG SER 61 2.790 -6.235 3.075 461 H GLY 62 H GLY 62 4.050 -7.006 7.191 462 HA2 GLY 62 HA2 GLY 62 5.223 -7.493 9.152 463 HA3 GLY 62 HA3 GLY 62 6.643 -7.847 8.186 464 H LEU 63 H LEU 63 4.764 -4.865 8.061 465 HA LEU 63 HA LEU 63 7.106 -3.429 9.093 466 HB2 LEU 63 HB2 LEU 63 4.728 -2.550 7.478 467 HB3 LEU 63 HB3 LEU 63 5.759 -1.391 8.292 468 HG LEU 63 HG LEU 63 6.730 -3.366 6.228 469 HD11 LEU 63 HD11 LEU 63 6.847 -1.448 4.722 470 HD12 LEU 63 HD12 LEU 63 6.109 -0.427 5.957 471 HD13 LEU 63 HD13 LEU 63 5.188 -1.751 5.241 472 HD21 LEU 63 HD21 LEU 63 8.740 -1.975 6.225 473 HD22 LEU 63 HD22 LEU 63 8.440 -2.656 7.823 474 HD23 LEU 63 HD23 LEU 63 8.051 -0.967 7.497 475 HA PRO 64 HA PRO 64 5.223 -2.409 12.994 476 HB2 PRO 64 HB2 PRO 64 6.054 0.397 12.463 477 HB3 PRO 64 HB3 PRO 64 6.422 -0.643 13.843 478 HG2 PRO 64 HG2 PRO 64 8.280 -0.116 12.017 479 HG3 PRO 64 HG3 PRO 64 8.141 -1.735 12.731 480 HD2 PRO 64 HD2 PRO 64 7.233 -0.758 10.049 481 HD3 PRO 64 HD3 PRO 64 7.989 -2.305 10.488 482 H GLN 65 H GLN 65 3.366 -1.421 13.847 483 HA GLN 65 HA GLN 65 1.302 -1.084 11.985 484 HB2 GLN 65 HB2 GLN 65 0.989 -1.895 14.303 485 HB3 GLN 65 HB3 GLN 65 1.252 -0.256 14.883 486 HG2 GLN 65 HG2 GLN 65 -0.712 0.518 13.706 487 HG3 GLN 65 HG3 GLN 65 -0.952 -1.085 13.011 488 HE21 GLN 65 HE21 GLN 65 -1.176 0.871 15.867 489 HE22 GLN 65 HE22 GLN 65 -2.127 -0.242 16.794 490 HA PRO 66 HA PRO 66 1.522 3.758 13.006 491 HB2 PRO 66 HB2 PRO 66 4.221 4.458 13.238 492 HB3 PRO 66 HB3 PRO 66 3.042 4.442 14.553 493 HG2 PRO 66 HG2 PRO 66 5.070 2.390 13.795 494 HG3 PRO 66 HG3 PRO 66 4.523 2.891 15.406 495 HD2 PRO 66 HD2 PRO 66 3.696 0.594 14.318 496 HD3 PRO 66 HD3 PRO 66 2.594 1.596 15.287 497 H VAL 67 H VAL 67 4.275 2.055 11.604 498 HA VAL 67 HA VAL 67 4.656 3.635 9.315 499 HB VAL 67 HB VAL 67 5.244 0.731 9.892 500 HG11 VAL 67 HG11 VAL 67 6.119 2.334 7.498 501 HG12 VAL 67 HG12 VAL 67 4.999 0.973 7.484 502 HG13 VAL 67 HG13 VAL 67 6.689 0.721 7.920 503 HG21 VAL 67 HG21 VAL 67 6.507 2.302 11.223 504 HG22 VAL 67 HG22 VAL 67 6.986 3.187 9.775 505 HG23 VAL 67 HG23 VAL 67 7.566 1.542 10.035 506 H LEU 68 H LEU 68 2.693 0.748 9.884 507 HA LEU 68 HA LEU 68 1.712 0.420 7.271 508 HB2 LEU 68 HB2 LEU 68 0.384 -0.298 9.885 509 HB3 LEU 68 HB3 LEU 68 -0.035 -0.942 8.310 510 HG LEU 68 HG LEU 68 2.578 -1.375 9.752 511 HD11 LEU 68 HD11 LEU 68 0.272 -3.240 9.207 512 HD12 LEU 68 HD12 LEU 68 0.726 -2.575 10.776 513 HD13 LEU 68 HD13 LEU 68 1.810 -3.690 9.943 514 HD21 LEU 68 HD21 LEU 68 3.044 -2.972 7.946 515 HD22 LEU 68 HD22 LEU 68 2.899 -1.318 7.350 516 HD23 LEU 68 HD23 LEU 68 1.571 -2.456 7.124 517 H ALA 69 H ALA 69 0.202 1.939 10.107 518 HA ALA 69 HA ALA 69 -2.128 2.817 8.830 519 HB1 ALA 69 HB1 ALA 69 -1.864 2.707 11.262 520 HB2 ALA 69 HB2 ALA 69 -2.420 4.296 10.738 521 HB3 ALA 69 HB3 ALA 69 -0.734 4.059 11.199 522 H GLN 70 H GLN 70 1.067 4.231 9.030 523 HA GLN 70 HA GLN 70 0.365 6.785 8.033 524 HB2 GLN 70 HB2 GLN 70 2.525 6.019 9.226 525 HB3 GLN 70 HB3 GLN 70 3.048 5.503 7.625 526 HG2 GLN 70 HG2 GLN 70 2.179 8.000 7.104 527 HG3 GLN 70 HG3 GLN 70 2.772 8.186 8.751 528 HE21 GLN 70 HE21 GLN 70 3.760 9.218 6.196 529 HE22 GLN 70 HE22 GLN 70 5.418 8.721 6.113 530 H ILE 71 H ILE 71 1.393 3.759 6.512 531 HA ILE 71 HA ILE 71 1.553 4.717 3.860 532 HB ILE 71 HB ILE 71 1.050 1.980 5.013 533 HG12 ILE 71 HG12 ILE 71 3.296 2.794 3.201 534 HG13 ILE 71 HG13 ILE 71 3.349 3.231 4.899 535 HG21 ILE 71 HG21 ILE 71 1.209 1.042 2.748 536 HG22 ILE 71 HG22 ILE 71 1.185 2.676 2.080 537 HG23 ILE 71 HG23 ILE 71 -0.222 2.055 2.943 538 HD11 ILE 71 HD11 ILE 71 4.576 1.179 4.456 539 HD12 ILE 71 HD12 ILE 71 3.115 0.440 3.801 540 HD13 ILE 71 HD13 ILE 71 3.196 0.872 5.510 541 H TRP 72 H TRP 72 -1.111 3.478 5.800 542 HA TRP 72 HA TRP 72 -3.066 3.543 3.763 543 HB2 TRP 72 HB2 TRP 72 -3.361 2.320 5.880 544 HB3 TRP 72 HB3 TRP 72 -3.415 3.851 6.749 545 HD1 TRP 72 HD1 TRP 72 -5.266 3.527 3.434 546 HE1 TRP 72 HE1 TRP 72 -7.790 3.597 3.880 547 HE3 TRP 72 HE3 TRP 72 -5.166 3.364 8.515 548 HZ2 TRP 72 HZ2 TRP 72 -9.525 3.521 6.106 549 HZ3 TRP 72 HZ3 TRP 72 -7.305 3.338 9.747 550 HH2 TRP 72 HH2 TRP 72 -9.441 3.413 8.553 551 H ALA 73 H ALA 73 -2.085 5.893 6.226 552 HA ALA 73 HA ALA 73 -4.034 7.818 5.617 553 HB1 ALA 73 HB1 ALA 73 -1.293 8.206 6.820 554 HB2 ALA 73 HB2 ALA 73 -2.781 7.858 7.703 555 HB3 ALA 73 HB3 ALA 73 -2.600 9.389 6.845 556 H LEU 74 H LEU 74 -1.148 6.867 4.060 557 HA LEU 74 HA LEU 74 -0.918 9.246 2.411 558 HB2 LEU 74 HB2 LEU 74 0.704 6.826 2.933 559 HB3 LEU 74 HB3 LEU 74 0.833 7.513 1.329 560 HG LEU 74 HG LEU 74 1.402 9.006 3.912 561 HD11 LEU 74 HD11 LEU 74 3.720 8.891 3.219 562 HD12 LEU 74 HD12 LEU 74 3.271 7.964 1.788 563 HD13 LEU 74 HD13 LEU 74 3.058 7.264 3.392 564 HD21 LEU 74 HD21 LEU 74 1.789 9.798 1.029 565 HD22 LEU 74 HD22 LEU 74 2.235 10.749 2.446 566 HD23 LEU 74 HD23 LEU 74 0.537 10.423 2.102 567 H ALA 75 H ALA 75 -2.292 6.065 2.252 568 HA ALA 75 HA ALA 75 -2.213 5.657 -0.544 569 HB1 ALA 75 HB1 ALA 75 -3.902 3.926 -0.140 570 HB2 ALA 75 HB2 ALA 75 -4.124 4.530 1.502 571 HB3 ALA 75 HB3 ALA 75 -2.579 3.828 1.021 572 H ASP 76 H ASP 76 -5.216 6.130 1.307 573 HA ASP 76 HA ASP 76 -6.290 7.672 -0.866 574 HB2 ASP 76 HB2 ASP 76 -8.154 8.083 0.941 575 HB3 ASP 76 HB3 ASP 76 -8.051 6.548 0.103 576 H MET 77 H MET 77 -5.224 9.417 -1.168 577 HA MET 77 HA MET 77 -3.710 10.845 0.630 578 HB2 MET 77 HB2 MET 77 -4.899 11.587 -2.026 579 HB3 MET 77 HB3 MET 77 -3.889 12.712 -1.126 580 HG2 MET 77 HG2 MET 77 -2.016 11.279 -1.251 581 HG3 MET 77 HG3 MET 77 -2.995 9.933 -1.826 582 HE1 MET 77 HE1 MET 77 -3.655 9.523 -4.286 583 HE2 MET 77 HE2 MET 77 -3.736 10.803 -5.498 584 HE3 MET 77 HE3 MET 77 -4.765 10.877 -4.066 585 H ASN 78 H ASN 78 -7.142 11.239 -0.038 586 HA ASN 78 HA ASN 78 -7.250 13.728 1.467 587 HB2 ASN 78 HB2 ASN 78 -8.787 13.046 -0.504 588 HB3 ASN 78 HB3 ASN 78 -9.638 12.071 0.688 589 HD21 ASN 78 HD21 ASN 78 -11.518 13.198 0.727 590 HD22 ASN 78 HD22 ASN 78 -11.648 14.832 1.284 591 H ASN 79 H ASN 79 -6.755 10.670 2.335 592 HA ASN 79 HA ASN 79 -7.291 9.202 3.968 593 HB2 ASN 79 HB2 ASN 79 -6.387 11.205 5.308 594 HB3 ASN 79 HB3 ASN 79 -8.067 11.577 5.674 595 HD21 ASN 79 HD21 ASN 79 -8.920 8.808 5.882 596 HD22 ASN 79 HD22 ASN 79 -8.241 8.196 7.346 597 H ASP 80 H ASP 80 -8.985 8.479 2.682 598 HA ASP 80 HA ASP 80 -11.657 9.519 3.156 599 HB2 ASP 80 HB2 ASP 80 -10.758 8.828 0.870 600 HB3 ASP 80 HB3 ASP 80 -10.866 7.164 1.433 601 H GLY 81 H GLY 81 -9.568 6.922 4.067 602 HA2 GLY 81 HA2 GLY 81 -9.752 5.557 5.920 603 HA3 GLY 81 HA3 GLY 81 -11.315 6.282 6.259 604 H ARG 82 H ARG 82 -10.581 4.818 3.180 605 HA ARG 82 HA ARG 82 -11.638 2.250 3.805 606 HB2 ARG 82 HB2 ARG 82 -13.701 2.416 2.418 607 HB3 ARG 82 HB3 ARG 82 -13.756 3.385 3.877 608 HG2 ARG 82 HG2 ARG 82 -13.145 5.369 2.533 609 HG3 ARG 82 HG3 ARG 82 -13.268 4.368 1.087 610 HD2 ARG 82 HD2 ARG 82 -15.608 3.964 1.512 611 HD3 ARG 82 HD3 ARG 82 -15.508 4.813 3.058 612 HE ARG 82 HE ARG 82 -14.669 6.475 0.901 613 HH11 ARG 82 HH11 ARG 82 -17.541 5.190 2.462 614 HH12 ARG 82 HH12 ARG 82 -18.542 6.536 1.997 615 HH21 ARG 82 HH21 ARG 82 -15.996 8.219 0.268 616 HH22 ARG 82 HH22 ARG 82 -17.672 8.244 0.736 617 H MET 83 H MET 83 -11.182 4.644 1.336 618 HA MET 83 HA MET 83 -10.097 4.712 -0.644 619 HB2 MET 83 HB2 MET 83 -8.018 3.754 -0.766 620 HB3 MET 83 HB3 MET 83 -8.311 3.644 0.962 621 HG2 MET 83 HG2 MET 83 -8.845 1.328 0.802 622 HG3 MET 83 HG3 MET 83 -8.862 1.398 -0.958 623 HE1 MET 83 HE1 MET 83 -6.678 1.415 2.280 624 HE2 MET 83 HE2 MET 83 -6.308 2.991 1.583 625 HE3 MET 83 HE3 MET 83 -5.067 1.739 1.637 626 H ASP 84 H ASP 84 -9.434 3.357 -2.638 627 HA ASP 84 HA ASP 84 -11.169 1.009 -2.982 628 HB2 ASP 84 HB2 ASP 84 -12.050 3.189 -4.078 629 HB3 ASP 84 HB3 ASP 84 -10.721 2.991 -5.213 630 H GLN 85 H GLN 85 -10.404 0.097 -5.362 631 HA GLN 85 HA GLN 85 -7.918 -1.080 -4.945 632 HB2 GLN 85 HB2 GLN 85 -9.317 -0.667 -7.590 633 HB3 GLN 85 HB3 GLN 85 -8.077 -1.863 -7.247 634 HG2 GLN 85 HG2 GLN 85 -10.849 -1.753 -6.084 635 HG3 GLN 85 HG3 GLN 85 -10.236 -2.912 -7.264 636 HE21 GLN 85 HE21 GLN 85 -11.391 -3.354 -4.637 637 HE22 GLN 85 HE22 GLN 85 -10.198 -4.209 -3.722 638 H VAL 86 H VAL 86 -8.693 1.941 -6.544 639 HA VAL 86 HA VAL 86 -6.219 2.216 -7.894 640 HB VAL 86 HB VAL 86 -8.011 3.549 -8.682 641 HG11 VAL 86 HG11 VAL 86 -9.084 5.314 -7.341 642 HG12 VAL 86 HG12 VAL 86 -8.190 4.752 -5.927 643 HG13 VAL 86 HG13 VAL 86 -9.370 3.696 -6.703 644 HG21 VAL 86 HG21 VAL 86 -7.094 5.824 -8.618 645 HG22 VAL 86 HG22 VAL 86 -5.843 4.610 -8.883 646 HG23 VAL 86 HG23 VAL 86 -6.029 5.349 -7.293 647 H GLU 87 H GLU 87 -7.335 3.409 -4.716 648 HA GLU 87 HA GLU 87 -4.848 4.589 -4.007 649 HB2 GLU 87 HB2 GLU 87 -7.188 3.627 -2.371 650 HB3 GLU 87 HB3 GLU 87 -5.745 4.283 -1.619 651 HG2 GLU 87 HG2 GLU 87 -7.342 6.015 -1.724 652 HG3 GLU 87 HG3 GLU 87 -6.112 6.372 -2.932 653 H PHE 88 H PHE 88 -6.235 1.399 -3.620 654 HA PHE 88 HA PHE 88 -4.271 0.379 -1.867 655 HB2 PHE 88 HB2 PHE 88 -6.661 -0.518 -2.797 656 HB3 PHE 88 HB3 PHE 88 -5.554 -1.515 -3.731 657 HD1 PHE 88 HD2 PHE 88 -3.519 -2.443 -2.175 658 HD2 PHE 88 HD1 PHE 88 -7.449 -1.456 -0.878 659 HE1 PHE 88 HE2 PHE 88 -3.252 -3.935 -0.238 660 HE2 PHE 88 HE1 PHE 88 -7.188 -2.945 1.061 661 HZ PHE 88 HZ PHE 88 -5.088 -4.184 1.382 662 H SER 89 H SER 89 -4.494 0.628 -5.350 663 HA SER 89 HA SER 89 -2.369 -1.202 -5.859 664 HB2 SER 89 HB2 SER 89 -4.231 -0.745 -7.464 665 HB3 SER 89 HB3 SER 89 -3.523 0.843 -7.760 666 HG SER 89 HG SER 89 -1.941 -0.049 -8.873 667 H ILE 90 H ILE 90 -2.466 2.123 -4.986 668 HA ILE 90 HA ILE 90 0.198 2.578 -6.112 669 HB ILE 90 HB ILE 90 -1.358 4.369 -6.547 670 HG12 ILE 90 HG12 ILE 90 0.626 5.232 -4.433 671 HG13 ILE 90 HG13 ILE 90 0.999 4.980 -6.135 672 HG21 ILE 90 HG21 ILE 90 -2.367 5.709 -4.783 673 HG22 ILE 90 HG22 ILE 90 -1.675 4.637 -3.566 674 HG23 ILE 90 HG23 ILE 90 -2.888 4.028 -4.691 675 HD11 ILE 90 HD11 ILE 90 -0.900 7.035 -5.027 676 HD12 ILE 90 HD12 ILE 90 -0.517 6.793 -6.733 677 HD13 ILE 90 HD13 ILE 90 0.736 7.338 -5.616 678 H ALA 91 H ALA 91 -1.458 2.447 -2.989 679 HA ALA 91 HA ALA 91 0.717 3.335 -1.419 680 HB1 ALA 91 HB1 ALA 91 -0.524 2.414 0.475 681 HB2 ALA 91 HB2 ALA 91 -1.602 1.576 -0.643 682 HB3 ALA 91 HB3 ALA 91 -1.572 3.339 -0.601 683 H MET 92 H MET 92 -0.069 0.267 -2.795 684 HA MET 92 HA MET 92 1.288 -1.442 -1.046 685 HB2 MET 92 HB2 MET 92 1.225 -3.076 -2.875 686 HB3 MET 92 HB3 MET 92 -0.317 -2.254 -2.691 687 HG2 MET 92 HG2 MET 92 -0.068 -2.256 -4.964 688 HG3 MET 92 HG3 MET 92 0.602 -0.682 -4.544 689 HE1 MET 92 HE1 MET 92 3.008 -1.456 -7.420 690 HE2 MET 92 HE2 MET 92 2.055 -0.226 -6.588 691 HE3 MET 92 HE3 MET 92 1.252 -1.609 -7.333 692 H LYS 93 H LYS 93 2.507 0.634 -3.573 693 HA LYS 93 HA LYS 93 4.998 -0.791 -3.809 694 HB2 LYS 93 HB2 LYS 93 3.812 0.663 -5.615 695 HB3 LYS 93 HB3 LYS 93 4.579 2.016 -4.797 696 HG2 LYS 93 HG2 LYS 93 6.209 -0.334 -5.678 697 HG3 LYS 93 HG3 LYS 93 5.753 0.924 -6.827 698 HD2 LYS 93 HD2 LYS 93 6.977 2.558 -5.699 699 HD3 LYS 93 HD3 LYS 93 7.052 1.607 -4.215 700 HE2 LYS 93 HE2 LYS 93 9.210 1.698 -5.438 701 HE3 LYS 93 HE3 LYS 93 8.597 0.063 -5.211 702 HZ1 LYS 93 HZ1 LYS 93 9.517 0.709 -7.494 703 HZ2 LYS 93 HZ2 LYS 93 8.051 1.535 -7.717 704 HZ3 LYS 93 HZ3 LYS 93 8.054 -0.139 -7.433 705 H LEU 94 H LEU 94 3.754 1.913 -1.968 706 HA LEU 94 HA LEU 94 6.179 2.960 -1.027 707 HB2 LEU 94 HB2 LEU 94 3.826 3.901 -0.692 708 HB3 LEU 94 HB3 LEU 94 3.640 2.718 0.580 709 HG LEU 94 HG LEU 94 5.634 3.703 1.694 710 HD11 LEU 94 HD11 LEU 94 5.280 5.836 -0.401 711 HD12 LEU 94 HD12 LEU 94 6.675 4.774 -0.201 712 HD13 LEU 94 HD13 LEU 94 6.299 5.978 1.032 713 HD21 LEU 94 HD21 LEU 94 3.360 4.242 2.405 714 HD22 LEU 94 HD22 LEU 94 3.308 5.561 1.236 715 HD23 LEU 94 HD23 LEU 94 4.433 5.628 2.590 716 H ILE 95 H ILE 95 4.049 0.420 0.148 717 HA ILE 95 HA ILE 95 5.350 -0.313 2.487 718 HB ILE 95 HB ILE 95 3.991 -2.219 0.572 719 HG12 ILE 95 HG12 ILE 95 2.757 -0.569 2.788 720 HG13 ILE 95 HG13 ILE 95 2.609 -0.211 1.071 721 HG21 ILE 95 HG21 ILE 95 5.188 -3.338 2.356 722 HG22 ILE 95 HG22 ILE 95 3.450 -3.468 2.626 723 HG23 ILE 95 HG23 ILE 95 4.406 -2.314 3.559 724 HD11 ILE 95 HD11 ILE 95 0.623 -1.315 1.911 725 HD12 ILE 95 HD12 ILE 95 1.595 -2.683 2.452 726 HD13 ILE 95 HD13 ILE 95 1.450 -2.330 0.730 727 H LYS 96 H LYS 96 5.887 -1.426 -0.824 728 HA LYS 96 HA LYS 96 7.689 -3.478 -0.318 729 HB2 LYS 96 HB2 LYS 96 6.679 -3.205 -2.492 730 HB3 LYS 96 HB3 LYS 96 7.465 -1.648 -2.710 731 HG2 LYS 96 HG2 LYS 96 9.637 -2.723 -2.781 732 HG3 LYS 96 HG3 LYS 96 8.889 -4.293 -2.485 733 HD2 LYS 96 HD2 LYS 96 7.695 -4.159 -4.588 734 HD3 LYS 96 HD3 LYS 96 8.330 -2.537 -4.873 735 HE2 LYS 96 HE2 LYS 96 10.572 -3.387 -5.044 736 HE3 LYS 96 HE3 LYS 96 10.039 -4.998 -4.567 737 HZ1 LYS 96 HZ1 LYS 96 8.736 -5.127 -6.593 738 HZ2 LYS 96 HZ2 LYS 96 10.369 -4.853 -6.947 739 HZ3 LYS 96 HZ3 LYS 96 9.249 -3.581 -7.056 740 H LEU 97 H LEU 97 8.413 -0.066 -1.096 741 HA LEU 97 HA LEU 97 11.236 -0.541 -0.753 742 HB2 LEU 97 HB2 LEU 97 10.304 1.054 -2.427 743 HB3 LEU 97 HB3 LEU 97 9.798 2.084 -1.101 744 HG LEU 97 HG LEU 97 12.137 2.397 -0.431 745 HD11 LEU 97 HD11 LEU 97 13.944 1.597 -1.872 746 HD12 LEU 97 HD12 LEU 97 12.770 0.715 -2.850 747 HD13 LEU 97 HD13 LEU 97 13.035 0.260 -1.166 748 HD21 LEU 97 HD21 LEU 97 11.145 3.965 -2.001 749 HD22 LEU 97 HD22 LEU 97 11.642 2.944 -3.349 750 HD23 LEU 97 HD23 LEU 97 12.859 3.730 -2.345 751 H LYS 98 H LYS 98 8.596 0.629 1.176 752 HA LYS 98 HA LYS 98 10.082 2.024 3.131 753 HB2 LYS 98 HB2 LYS 98 7.505 1.913 2.703 754 HB3 LYS 98 HB3 LYS 98 7.559 0.529 3.786 755 HG2 LYS 98 HG2 LYS 98 8.285 1.839 5.592 756 HG3 LYS 98 HG3 LYS 98 8.690 3.201 4.546 757 HD2 LYS 98 HD2 LYS 98 6.272 3.422 3.998 758 HD3 LYS 98 HD3 LYS 98 5.930 2.157 5.179 759 HE2 LYS 98 HE2 LYS 98 6.819 3.513 6.956 760 HE3 LYS 98 HE3 LYS 98 7.340 4.743 5.806 761 HZ1 LYS 98 HZ1 LYS 98 5.002 5.110 5.236 762 HZ2 LYS 98 HZ2 LYS 98 5.302 5.415 6.872 763 HZ3 LYS 98 HZ3 LYS 98 4.528 3.979 6.405 764 H LEU 99 H LEU 99 9.404 -1.338 2.589 765 HA LEU 99 HA LEU 99 10.169 -2.455 5.038 766 HB2 LEU 99 HB2 LEU 99 10.384 -3.488 2.213 767 HB3 LEU 99 HB3 LEU 99 10.809 -4.457 3.609 768 HG LEU 99 HG LEU 99 8.072 -3.253 3.247 769 HD11 LEU 99 HD11 LEU 99 8.539 -4.721 1.352 770 HD12 LEU 99 HD12 LEU 99 7.353 -5.445 2.440 771 HD13 LEU 99 HD13 LEU 99 9.026 -6.004 2.459 772 HD21 LEU 99 HD21 LEU 99 9.134 -5.496 4.961 773 HD22 LEU 99 HD22 LEU 99 7.443 -5.015 4.840 774 HD23 LEU 99 HD23 LEU 99 8.629 -3.900 5.518 775 H GLN 100 H GLN 100 12.067 -0.959 2.564 776 HA GLN 100 HA GLN 100 14.519 -2.319 3.247 777 HB2 GLN 100 HB2 GLN 100 14.132 0.146 1.537 778 HB3 GLN 100 HB3 GLN 100 15.575 -0.852 1.617 779 HG2 GLN 100 HG2 GLN 100 12.886 -1.642 0.526 780 HG3 GLN 100 HG3 GLN 100 14.364 -1.356 -0.390 781 HE21 GLN 100 HE21 GLN 100 16.005 -2.906 -0.354 782 HE22 GLN 100 HE22 GLN 100 15.737 -4.517 0.230 783 H GLY 101 H GLY 101 12.776 0.189 4.620 784 HA2 GLY 101 HA2 GLY 101 13.634 0.955 6.782 785 HA3 GLY 101 HA3 GLY 101 15.206 1.127 6.018 786 H TYR 102 H TYR 102 11.910 2.197 5.206 787 HA TYR 102 HA TYR 102 12.874 4.968 5.248 788 HB2 TYR 102 HB2 TYR 102 11.248 3.654 3.060 789 HB3 TYR 102 HB3 TYR 102 11.393 5.396 3.239 790 HD1 TYR 102 HD1 TYR 102 13.637 6.475 2.958 791 HD2 TYR 102 HD2 TYR 102 12.965 2.380 2.026 792 HE1 TYR 102 HE1 TYR 102 15.692 6.451 1.608 793 HE2 TYR 102 HE2 TYR 102 15.019 2.344 0.673 794 HH TYR 102 HH TYR 102 17.344 4.815 0.787 795 H GLN 103 H GLN 103 10.945 6.522 5.249 796 HA GLN 103 HA GLN 103 8.596 5.311 6.525 797 HB2 GLN 103 HB2 GLN 103 10.143 7.662 7.621 798 HB3 GLN 103 HB3 GLN 103 8.553 7.173 8.190 799 HG2 GLN 103 HG2 GLN 103 9.515 4.966 8.802 800 HG3 GLN 103 HG3 GLN 103 11.104 5.582 8.353 801 HE21 GLN 103 HE21 GLN 103 10.169 4.610 10.918 802 HE22 GLN 103 HE22 GLN 103 10.380 5.915 12.036 803 H LEU 104 H LEU 104 9.977 8.335 5.266 804 HA LEU 104 HA LEU 104 9.131 10.003 3.996 805 HB2 LEU 104 HB2 LEU 104 7.174 7.844 3.278 806 HB3 LEU 104 HB3 LEU 104 6.999 9.469 2.648 807 HG LEU 104 HG LEU 104 9.409 9.189 1.795 808 HD11 LEU 104 HD11 LEU 104 8.690 6.293 2.220 809 HD12 LEU 104 HD12 LEU 104 9.961 7.179 3.062 810 HD13 LEU 104 HD13 LEU 104 10.087 6.894 1.327 811 HD21 LEU 104 HD21 LEU 104 8.596 8.062 -0.236 812 HD22 LEU 104 HD22 LEU 104 7.492 9.312 0.338 813 HD23 LEU 104 HD23 LEU 104 7.125 7.612 0.626 814 HA PRO 105 HA PRO 105 5.744 11.801 6.314 815 HB2 PRO 105 HB2 PRO 105 5.455 14.097 4.985 816 HB3 PRO 105 HB3 PRO 105 6.958 13.719 5.834 817 HG2 PRO 105 HG2 PRO 105 6.399 13.762 2.932 818 HG3 PRO 105 HG3 PRO 105 7.933 13.980 3.786 819 HD2 PRO 105 HD2 PRO 105 6.904 11.592 2.546 820 HD3 PRO 105 HD3 PRO 105 8.460 11.819 3.367 821 H SER 106 H SER 106 3.752 13.438 5.475 822 HA SER 106 HA SER 106 1.860 11.525 4.428 823 HB2 SER 106 HB2 SER 106 1.466 14.398 5.291 824 HB3 SER 106 HB3 SER 106 0.201 13.207 5.008 825 HG SER 106 HG SER 106 2.177 13.221 7.041 826 H ALA 107 H ALA 107 3.986 13.343 2.909 827 HA ALA 107 HA ALA 107 2.198 14.090 0.702 828 HB1 ALA 107 HB1 ALA 107 3.977 15.565 -0.068 829 HB2 ALA 107 HB2 ALA 107 5.008 15.032 1.259 830 HB3 ALA 107 HB3 ALA 107 3.530 15.934 1.596 831 H LEU 108 H LEU 108 2.065 12.484 -0.733 832 HA LEU 108 HA LEU 108 4.164 10.592 -1.188 833 HB2 LEU 108 HB2 LEU 108 1.532 11.148 -2.532 834 HB3 LEU 108 HB3 LEU 108 2.662 9.985 -3.195 835 HG LEU 108 HG LEU 108 1.389 9.829 -0.460 836 HD11 LEU 108 HD11 LEU 108 0.918 8.226 -2.972 837 HD12 LEU 108 HD12 LEU 108 -0.190 9.408 -2.274 838 HD13 LEU 108 HD13 LEU 108 0.180 7.922 -1.399 839 HD21 LEU 108 HD21 LEU 108 3.612 8.847 -0.457 840 HD22 LEU 108 HD22 LEU 108 3.230 7.930 -1.914 841 HD23 LEU 108 HD23 LEU 108 2.391 7.576 -0.404 842 HA PRO 109 HA PRO 109 6.364 12.779 -4.380 843 HB2 PRO 109 HB2 PRO 109 7.089 10.170 -5.504 844 HB3 PRO 109 HB3 PRO 109 8.127 11.393 -4.768 845 HG2 PRO 109 HG2 PRO 109 7.603 9.036 -3.564 846 HG3 PRO 109 HG3 PRO 109 7.865 10.532 -2.648 847 HD2 PRO 109 HD2 PRO 109 5.295 9.155 -3.341 848 HD3 PRO 109 HD3 PRO 109 5.781 9.936 -1.819 849 HA PRO 110 HA PRO 110 3.629 12.698 -7.839 850 HB2 PRO 110 HB2 PRO 110 5.135 13.932 -9.709 851 HB3 PRO 110 HB3 PRO 110 4.482 14.785 -8.308 852 HG2 PRO 110 HG2 PRO 110 7.235 13.699 -8.743 853 HG3 PRO 110 HG3 PRO 110 6.744 15.259 -8.054 854 HD2 PRO 110 HD2 PRO 110 7.490 13.131 -6.533 855 HD3 PRO 110 HD3 PRO 110 6.325 14.353 -5.985 856 H VAL 111 H VAL 111 6.411 10.860 -7.733 857 HA VAL 111 HA VAL 111 6.344 9.903 -10.455 858 HB VAL 111 HB VAL 111 7.887 8.713 -8.150 859 HG11 VAL 111 HG11 VAL 111 8.360 8.644 -11.127 860 HG12 VAL 111 HG12 VAL 111 7.753 7.313 -10.141 861 HG13 VAL 111 HG13 VAL 111 9.393 7.915 -9.898 862 HG21 VAL 111 HG21 VAL 111 8.390 11.097 -8.312 863 HG22 VAL 111 HG22 VAL 111 8.752 10.908 -10.028 864 HG23 VAL 111 HG23 VAL 111 9.764 10.117 -8.820 865 H MET 112 H MET 112 5.112 8.909 -7.338 866 HA MET 112 HA MET 112 4.523 6.224 -8.155 867 HB2 MET 112 HB2 MET 112 3.489 7.793 -5.787 868 HB3 MET 112 HB3 MET 112 3.273 6.067 -6.035 869 HG2 MET 112 HG2 MET 112 5.776 5.858 -6.027 870 HG3 MET 112 HG3 MET 112 5.837 7.543 -5.509 871 HE1 MET 112 HE1 MET 112 4.752 3.900 -4.610 872 HE2 MET 112 HE2 MET 112 3.214 4.758 -4.546 873 HE3 MET 112 HE3 MET 112 3.932 4.126 -3.064 874 H LYS 113 H LYS 113 2.763 9.256 -7.945 875 HA LYS 113 HA LYS 113 0.268 7.995 -8.725 876 HB2 LYS 113 HB2 LYS 113 -0.708 10.217 -8.496 877 HB3 LYS 113 HB3 LYS 113 0.243 9.817 -7.072 878 HG2 LYS 113 HG2 LYS 113 2.056 11.208 -7.841 879 HG3 LYS 113 HG3 LYS 113 1.202 11.538 -9.349 880 HD2 LYS 113 HD2 LYS 113 0.321 12.335 -6.574 881 HD3 LYS 113 HD3 LYS 113 0.976 13.405 -7.812 882 HE2 LYS 113 HE2 LYS 113 -0.951 12.795 -9.269 883 HE3 LYS 113 HE3 LYS 113 -1.626 11.883 -7.920 884 HZ1 LYS 113 HZ1 LYS 113 -1.160 14.810 -8.067 885 HZ2 LYS 113 HZ2 LYS 113 -1.560 14.004 -6.628 886 HZ3 LYS 113 HZ3 LYS 113 -2.647 14.004 -7.930 887 H GLN 114 H GLN 114 2.953 9.518 -10.170 888 HA GLN 114 HA GLN 114 3.512 10.102 -12.279 889 HB2 GLN 114 HB2 GLN 114 1.064 8.476 -12.989 890 HB3 GLN 114 HB3 GLN 114 2.272 9.037 -14.136 891 HG2 GLN 114 HG2 GLN 114 3.959 7.672 -13.122 892 HG3 GLN 114 HG3 GLN 114 2.870 7.226 -11.813 893 HE21 GLN 114 HE21 GLN 114 1.266 5.725 -12.170 894 HE22 GLN 114 HE22 GLN 114 1.213 4.725 -13.578 895 H GLN 115 H GLN 115 2.145 10.908 -14.491 896 HA GLN 115 HA GLN 115 0.479 13.105 -13.463 897 HB2 GLN 115 HB2 GLN 115 2.633 13.780 -14.525 898 HB3 GLN 115 HB3 GLN 115 2.080 13.050 -16.024 899 HG2 GLN 115 HG2 GLN 115 0.341 14.644 -16.260 900 HG3 GLN 115 HG3 GLN 115 0.594 15.254 -14.625 901 HE21 GLN 115 HE21 GLN 115 1.767 15.240 -17.894 902 HE22 GLN 115 HE22 GLN 115 2.890 16.541 -17.707 903 HA PRO 116 HA PRO 116 -2.538 10.520 -15.604 904 HB2 PRO 116 HB2 PRO 116 -4.456 12.323 -14.301 905 HB3 PRO 116 HB3 PRO 116 -4.294 10.570 -14.169 906 HG2 PRO 116 HG2 PRO 116 -3.622 12.204 -12.151 907 HG3 PRO 116 HG3 PRO 116 -2.734 10.705 -12.475 908 HD2 PRO 116 HD2 PRO 116 -2.003 13.531 -13.161 909 HD3 PRO 116 HD3 PRO 116 -0.976 12.221 -12.538 910 H VAL 117 H VAL 117 -3.389 10.788 -17.534 911 HA VAL 117 HA VAL 117 -3.964 13.528 -18.437 912 HB VAL 117 HB VAL 117 -3.378 12.740 -20.756 913 HG11 VAL 117 HG11 VAL 117 -0.958 12.987 -20.424 914 HG12 VAL 117 HG12 VAL 117 -1.178 12.731 -18.694 915 HG13 VAL 117 HG13 VAL 117 -1.877 14.152 -19.470 916 HG21 VAL 117 HG21 VAL 117 -3.505 10.331 -20.391 917 HG22 VAL 117 HG22 VAL 117 -2.154 10.418 -19.262 918 HG23 VAL 117 HG23 VAL 117 -1.901 10.789 -20.967 919 H ALA 118 H ALA 118 -6.052 13.802 -18.656 920 HA ALA 118 HA ALA 118 -7.698 11.544 -19.585 921 HB1 ALA 118 HB1 ALA 118 -8.377 12.487 -17.433 922 HB2 ALA 118 HB2 ALA 118 -9.611 12.759 -18.663 923 HB3 ALA 118 HB3 ALA 118 -8.544 14.077 -18.176 924 H ILE 119 H ILE 119 -6.509 14.665 -20.326 925 HA ILE 119 HA ILE 119 -6.680 16.070 -22.078 926 HB ILE 119 HB ILE 119 -7.763 13.621 -23.451 927 HG12 ILE 119 HG12 ILE 119 -4.987 14.820 -23.471 928 HG13 ILE 119 HG13 ILE 119 -5.471 13.397 -22.552 929 HG21 ILE 119 HG21 ILE 119 -8.419 15.638 -24.661 930 HG22 ILE 119 HG22 ILE 119 -7.191 14.746 -25.558 931 HG23 ILE 119 HG23 ILE 119 -6.744 16.194 -24.659 932 HD11 ILE 119 HD11 ILE 119 -5.512 13.638 -25.553 933 HD12 ILE 119 HD12 ILE 119 -5.936 12.206 -24.615 934 HD13 ILE 119 HD13 ILE 119 -4.280 12.811 -24.599 935 H SER 120 H SER 120 -8.200 17.363 -21.024 936 HA SER 120 HA SER 120 -10.772 17.476 -22.343 937 HB2 SER 120 HB2 SER 120 -10.607 17.185 -19.327 938 HB3 SER 120 HB3 SER 120 -12.075 17.484 -20.256 939 HG SER 120 HG SER 120 -10.855 15.347 -21.279 940 H SER 121 H SER 121 -10.932 19.537 -22.925 941 HA SER 121 HA SER 121 -10.479 21.621 -20.956 942 HB2 SER 121 HB2 SER 121 -9.034 22.936 -22.496 943 HB3 SER 121 HB3 SER 121 -8.271 21.435 -21.972 944 HG SER 121 HG SER 121 -9.627 21.857 -24.430 Start of MODEL 3 1 H1 MET 1 H1 MET 1 6.287 16.675 -25.622 2 H2 MET 1 H2 MET 1 6.736 18.303 -25.776 3 H3 MET 1 H3 MET 1 5.443 17.872 -24.772 4 HA MET 1 HA MET 1 6.851 16.782 -23.244 5 HB2 MET 1 HB2 MET 1 8.427 15.912 -24.977 6 HB3 MET 1 HB3 MET 1 9.126 17.521 -25.101 7 HG2 MET 1 HG2 MET 1 10.506 16.103 -23.717 8 HG3 MET 1 HG3 MET 1 9.806 17.405 -22.757 9 HE1 MET 1 HE1 MET 1 8.193 13.077 -22.696 10 HE2 MET 1 HE2 MET 1 9.574 13.572 -23.671 11 HE3 MET 1 HE3 MET 1 7.965 14.188 -24.048 12 H GLY 2 H GLY 2 7.238 18.052 -21.496 13 HA2 GLY 2 HA2 GLY 2 8.422 19.941 -20.526 14 HA3 GLY 2 HA3 GLY 2 8.117 20.825 -22.014 15 H HIS 3 H HIS 3 5.347 19.249 -21.574 16 HA HIS 3 HA HIS 3 4.022 21.542 -20.420 17 HB2 HIS 3 HB2 HIS 3 3.098 20.197 -22.353 18 HB3 HIS 3 HB3 HIS 3 2.800 18.888 -21.218 19 HD1 HIS 3 HD1 HIS 3 0.524 18.868 -20.222 20 HD2 HIS 3 HD2 HIS 3 1.623 22.661 -21.542 21 HE1 HIS 3 HE1 HIS 3 -1.503 20.324 -19.880 22 HE2 HIS 3 HE2 HIS 3 -0.861 22.578 -20.816 23 H HIS 4 H HIS 4 5.414 21.088 -18.441 24 HA HIS 4 HA HIS 4 4.624 18.928 -16.720 25 HB2 HIS 4 HB2 HIS 4 6.918 20.033 -16.786 26 HB3 HIS 4 HB3 HIS 4 6.185 21.396 -15.952 27 HD1 HIS 4 HD1 HIS 4 5.712 21.136 -13.439 28 HD2 HIS 4 HD2 HIS 4 7.237 17.702 -15.226 29 HE1 HIS 4 HE1 HIS 4 6.355 19.611 -11.547 30 HE2 HIS 4 HE2 HIS 4 7.516 17.665 -12.652 31 H HIS 5 H HIS 5 2.518 19.048 -16.144 32 HA HIS 5 HA HIS 5 1.723 21.356 -14.535 33 HB2 HIS 5 HB2 HIS 5 0.927 21.732 -16.881 34 HB3 HIS 5 HB3 HIS 5 -0.017 20.255 -16.755 35 HD1 HIS 5 HD1 HIS 5 0.294 23.515 -14.806 36 HD2 HIS 5 HD2 HIS 5 -2.561 20.751 -16.036 37 HE1 HIS 5 HE1 HIS 5 -1.919 24.456 -14.072 38 HE2 HIS 5 HE2 HIS 5 -3.643 22.878 -15.018 39 H HIS 6 H HIS 6 1.744 20.164 -12.698 40 HA HIS 6 HA HIS 6 -0.501 18.475 -12.201 41 HB2 HIS 6 HB2 HIS 6 0.922 16.815 -13.313 42 HB3 HIS 6 HB3 HIS 6 2.246 17.198 -12.219 43 HD1 HIS 6 HD1 HIS 6 -1.375 16.505 -11.252 44 HD2 HIS 6 HD2 HIS 6 2.437 14.896 -10.802 45 HE1 HIS 6 HE1 HIS 6 -1.631 14.587 -9.653 46 HE2 HIS 6 HE2 HIS 6 0.624 13.479 -9.619 47 H HIS 7 H HIS 7 -0.984 19.745 -10.501 48 HA HIS 7 HA HIS 7 1.055 20.028 -8.391 49 HB2 HIS 7 HB2 HIS 7 0.161 22.151 -9.337 50 HB3 HIS 7 HB3 HIS 7 -1.453 21.672 -8.820 51 HD1 HIS 7 HD1 HIS 7 -2.132 22.617 -6.635 52 HD2 HIS 7 HD2 HIS 7 2.001 22.246 -6.943 53 HE1 HIS 7 HE1 HIS 7 -1.199 23.599 -4.516 54 HE2 HIS 7 HE2 HIS 7 1.291 23.267 -4.673 55 H HIS 8 H HIS 8 -2.364 19.359 -8.985 56 HA HIS 8 HA HIS 8 -2.375 17.371 -6.897 57 HB2 HIS 8 HB2 HIS 8 -2.995 19.854 -6.013 58 HB3 HIS 8 HB3 HIS 8 -4.580 19.335 -6.575 59 HD1 HIS 8 HD1 HIS 8 -2.290 19.088 -3.760 60 HD2 HIS 8 HD2 HIS 8 -5.485 16.874 -5.246 61 HE1 HIS 8 HE1 HIS 8 -3.035 17.613 -1.862 62 HE2 HIS 8 HE2 HIS 8 -4.873 16.182 -2.823 63 H SER 9 H SER 9 -3.155 15.772 -8.160 64 HA SER 9 HA SER 9 -5.613 16.281 -9.680 65 HB2 SER 9 HB2 SER 9 -3.302 14.770 -10.892 66 HB3 SER 9 HB3 SER 9 -4.730 15.417 -11.700 67 HG SER 9 HG SER 9 -3.876 17.546 -11.009 68 H HIS 10 H HIS 10 -6.358 14.113 -10.699 69 HA HIS 10 HA HIS 10 -6.231 12.046 -8.631 70 HB2 HIS 10 HB2 HIS 10 -8.237 12.970 -10.506 71 HB3 HIS 10 HB3 HIS 10 -7.995 11.233 -10.652 72 HD1 HIS 10 HD1 HIS 10 -9.356 9.872 -9.121 73 HD2 HIS 10 HD2 HIS 10 -8.730 13.711 -7.637 74 HE1 HIS 10 HE1 HIS 10 -10.700 10.010 -6.998 75 HE2 HIS 10 HE2 HIS 10 -10.491 12.407 -6.252 76 H MET 11 H MET 11 -5.947 9.823 -9.244 77 HA MET 11 HA MET 11 -3.985 9.469 -11.355 78 HB2 MET 11 HB2 MET 11 -3.678 7.235 -10.401 79 HB3 MET 11 HB3 MET 11 -3.569 8.466 -9.153 80 HG2 MET 11 HG2 MET 11 -6.015 6.794 -9.699 81 HG3 MET 11 HG3 MET 11 -4.812 6.442 -8.464 82 HE1 MET 11 HE1 MET 11 -7.953 6.707 -7.873 83 HE2 MET 11 HE2 MET 11 -7.918 7.630 -6.371 84 HE3 MET 11 HE3 MET 11 -6.751 6.333 -6.637 85 H ALA 12 H ALA 12 -4.199 7.819 -12.999 86 HA ALA 12 HA ALA 12 -6.812 6.655 -13.434 87 HB1 ALA 12 HB1 ALA 12 -7.202 7.700 -15.588 88 HB2 ALA 12 HB2 ALA 12 -5.732 8.657 -15.416 89 HB3 ALA 12 HB3 ALA 12 -7.092 8.927 -14.326 90 H GLN 13 H GLN 13 -6.785 4.905 -14.761 91 HA GLN 13 HA GLN 13 -6.045 3.209 -16.054 92 HB2 GLN 13 HB2 GLN 13 -4.374 5.443 -17.172 93 HB3 GLN 13 HB3 GLN 13 -4.301 3.809 -17.819 94 HG2 GLN 13 HG2 GLN 13 -6.750 5.559 -17.681 95 HG3 GLN 13 HG3 GLN 13 -5.808 5.188 -19.126 96 HE21 GLN 13 HE21 GLN 13 -8.120 4.012 -16.831 97 HE22 GLN 13 HE22 GLN 13 -8.535 2.553 -17.667 98 H PHE 14 H PHE 14 -3.504 2.595 -17.071 99 HA PHE 14 HA PHE 14 -1.880 2.183 -14.659 100 HB2 PHE 14 HB2 PHE 14 -2.583 -0.031 -16.606 101 HB3 PHE 14 HB3 PHE 14 -1.633 -0.182 -15.135 102 HD1 PHE 14 HD1 PHE 14 -2.756 0.012 -12.925 103 HD2 PHE 14 HD2 PHE 14 -4.944 -0.123 -16.574 104 HE1 PHE 14 HE1 PHE 14 -4.797 -0.572 -11.676 105 HE2 PHE 14 HE2 PHE 14 -6.986 -0.699 -15.332 106 HZ PHE 14 HZ PHE 14 -6.917 -0.924 -12.881 107 HA PRO 15 HA PRO 15 1.468 3.089 -17.519 108 HB2 PRO 15 HB2 PRO 15 3.106 1.421 -15.708 109 HB3 PRO 15 HB3 PRO 15 3.318 3.111 -16.174 110 HG2 PRO 15 HG2 PRO 15 2.486 2.449 -13.720 111 HG3 PRO 15 HG3 PRO 15 1.852 3.881 -14.555 112 HD2 PRO 15 HD2 PRO 15 0.599 1.184 -14.199 113 HD3 PRO 15 HD3 PRO 15 -0.142 2.795 -14.083 114 H THR 16 H THR 16 2.717 1.965 -19.068 115 HA THR 16 HA THR 16 2.137 -0.910 -19.244 116 HB THR 16 HB THR 16 2.201 0.952 -21.620 117 HG1 THR 16 HG1 THR 16 0.279 0.609 -19.772 118 HG21 THR 16 HG21 THR 16 1.258 -1.902 -21.295 119 HG22 THR 16 HG22 THR 16 2.717 -1.381 -22.136 120 HG23 THR 16 HG23 THR 16 1.131 -0.943 -22.769 121 HA PRO 17 HA PRO 17 6.303 -0.243 -21.584 122 HB2 PRO 17 HB2 PRO 17 7.592 2.127 -21.298 123 HB3 PRO 17 HB3 PRO 17 6.442 1.813 -22.603 124 HG2 PRO 17 HG2 PRO 17 6.023 3.255 -20.013 125 HG3 PRO 17 HG3 PRO 17 5.471 3.692 -21.641 126 HD2 PRO 17 HD2 PRO 17 3.854 2.517 -19.828 127 HD3 PRO 17 HD3 PRO 17 3.694 2.229 -21.570 128 H PHE 18 H PHE 18 8.474 -0.452 -20.847 129 HA PHE 18 HA PHE 18 8.922 -0.034 -17.982 130 HB2 PHE 18 HB2 PHE 18 9.726 -2.327 -17.682 131 HB3 PHE 18 HB3 PHE 18 8.047 -2.328 -18.210 132 HD1 PHE 18 HD1 PHE 18 7.480 -2.997 -20.519 133 HD2 PHE 18 HD2 PHE 18 11.451 -3.279 -19.013 134 HE1 PHE 18 HE1 PHE 18 8.070 -4.508 -22.369 135 HE2 PHE 18 HE2 PHE 18 12.048 -4.788 -20.862 136 HZ PHE 18 HZ PHE 18 10.358 -5.403 -22.542 137 H GLY 19 H GLY 19 11.327 -0.837 -17.507 138 HA2 GLY 19 HA2 GLY 19 13.401 -1.189 -19.036 139 HA3 GLY 19 HA3 GLY 19 12.983 0.433 -19.570 140 H GLY 20 H GLY 20 15.312 0.629 -18.755 141 HA2 GLY 20 HA2 GLY 20 15.629 0.819 -15.892 142 HA3 GLY 20 HA3 GLY 20 16.814 1.265 -17.112 143 H SER 21 H SER 21 14.185 2.342 -15.142 144 HA SER 21 HA SER 21 14.312 5.032 -16.264 145 HB2 SER 21 HB2 SER 21 12.364 5.454 -14.745 146 HB3 SER 21 HB3 SER 21 12.080 4.160 -15.909 147 HG SER 21 HG SER 21 11.750 3.989 -13.353 148 H LEU 22 H LEU 22 14.500 6.872 -14.817 149 HA LEU 22 HA LEU 22 16.477 6.494 -12.738 150 HB2 LEU 22 HB2 LEU 22 16.193 8.462 -14.450 151 HB3 LEU 22 HB3 LEU 22 15.017 9.059 -13.299 152 HG LEU 22 HG LEU 22 17.921 8.534 -12.641 153 HD11 LEU 22 HD11 LEU 22 18.213 10.938 -12.750 154 HD12 LEU 22 HD12 LEU 22 16.531 11.139 -13.243 155 HD13 LEU 22 HD13 LEU 22 17.668 10.312 -14.307 156 HD21 LEU 22 HD21 LEU 22 15.768 10.009 -11.120 157 HD22 LEU 22 HD22 LEU 22 17.467 9.905 -10.660 158 HD23 LEU 22 HD23 LEU 22 16.469 8.450 -10.681 159 H ASP 23 H ASP 23 13.104 6.898 -13.113 160 HA ASP 23 HA ASP 23 12.539 7.791 -10.454 161 HB2 ASP 23 HB2 ASP 23 10.648 6.660 -12.530 162 HB3 ASP 23 HB3 ASP 23 10.191 7.539 -11.074 163 H THR 24 H THR 24 13.389 6.277 -9.048 164 HA THR 24 HA THR 24 12.596 3.522 -9.080 165 HB THR 24 HB THR 24 13.517 5.040 -6.640 166 HG1 THR 24 HG1 THR 24 15.514 3.823 -8.060 167 HG21 THR 24 HG21 THR 24 13.968 2.200 -7.569 168 HG22 THR 24 HG22 THR 24 12.824 2.706 -6.326 169 HG23 THR 24 HG23 THR 24 14.558 2.898 -6.061 170 H TRP 25 H TRP 25 11.363 6.501 -7.851 171 HA TRP 25 HA TRP 25 9.358 5.247 -6.167 172 HB2 TRP 25 HB2 TRP 25 10.118 8.093 -6.755 173 HB3 TRP 25 HB3 TRP 25 8.656 7.670 -5.879 174 HD1 TRP 25 HD1 TRP 25 12.429 7.842 -5.489 175 HE1 TRP 25 HE1 TRP 25 13.059 7.416 -3.026 176 HE3 TRP 25 HE3 TRP 25 7.851 6.400 -3.736 177 HZ2 TRP 25 HZ2 TRP 25 11.762 6.584 -0.647 178 HZ3 TRP 25 HZ3 TRP 25 7.628 5.804 -1.362 179 HH2 TRP 25 HH2 TRP 25 9.538 5.890 0.153 180 H ALA 26 H ALA 26 9.491 5.032 -9.111 181 HA ALA 26 HA ALA 26 6.833 6.019 -9.833 182 HB1 ALA 26 HB1 ALA 26 7.377 5.324 -12.106 183 HB2 ALA 26 HB2 ALA 26 8.905 4.645 -11.546 184 HB3 ALA 26 HB3 ALA 26 8.632 6.385 -11.463 185 H ILE 27 H ILE 27 5.234 4.532 -10.643 186 HA ILE 27 HA ILE 27 5.515 1.861 -9.491 187 HB ILE 27 HB ILE 27 3.040 3.050 -10.755 188 HG12 ILE 27 HG12 ILE 27 3.827 2.942 -7.834 189 HG13 ILE 27 HG13 ILE 27 3.779 4.394 -8.822 190 HG21 ILE 27 HG21 ILE 27 3.452 0.677 -8.935 191 HG22 ILE 27 HG22 ILE 27 3.028 0.625 -10.648 192 HG23 ILE 27 HG23 ILE 27 1.889 1.286 -9.475 193 HD11 ILE 27 HD11 ILE 27 1.822 4.267 -7.421 194 HD12 ILE 27 HD12 ILE 27 1.430 2.675 -8.071 195 HD13 ILE 27 HD13 ILE 27 1.363 4.095 -9.114 196 H THR 28 H THR 28 6.994 1.097 -11.004 197 HA THR 28 HA THR 28 6.482 1.088 -13.811 198 HB THR 28 HB THR 28 8.410 -0.830 -12.595 199 HG1 THR 28 HG1 THR 28 9.851 0.933 -12.156 200 HG21 THR 28 HG21 THR 28 9.852 0.026 -14.397 201 HG22 THR 28 HG22 THR 28 8.612 1.202 -14.830 202 HG23 THR 28 HG23 THR 28 8.300 -0.522 -15.027 203 H VAL 29 H VAL 29 6.940 -1.335 -14.796 204 HA VAL 29 HA VAL 29 4.484 -2.585 -14.725 205 HB VAL 29 HB VAL 29 5.982 -2.813 -16.611 206 HG11 VAL 29 HG11 VAL 29 7.698 -4.525 -14.829 207 HG12 VAL 29 HG12 VAL 29 8.113 -2.936 -15.473 208 HG13 VAL 29 HG13 VAL 29 7.918 -4.308 -16.565 209 HG21 VAL 29 HG21 VAL 29 4.250 -4.494 -16.337 210 HG22 VAL 29 HG22 VAL 29 5.343 -5.478 -15.363 211 HG23 VAL 29 HG23 VAL 29 5.691 -5.201 -17.070 212 H GLU 30 H GLU 30 7.480 -3.622 -13.058 213 HA GLU 30 HA GLU 30 6.369 -5.993 -11.983 214 HB2 GLU 30 HB2 GLU 30 8.808 -5.538 -12.089 215 HB3 GLU 30 HB3 GLU 30 8.615 -4.308 -10.847 216 HG2 GLU 30 HG2 GLU 30 7.708 -6.123 -9.354 217 HG3 GLU 30 HG3 GLU 30 8.236 -7.278 -10.578 218 H GLU 31 H GLU 31 6.813 -2.766 -10.596 219 HA GLU 31 HA GLU 31 5.643 -3.177 -8.108 220 HB2 GLU 31 HB2 GLU 31 5.297 -0.643 -9.713 221 HB3 GLU 31 HB3 GLU 31 5.388 -0.810 -7.969 222 HG2 GLU 31 HG2 GLU 31 7.656 -1.277 -9.892 223 HG3 GLU 31 HG3 GLU 31 7.408 0.173 -8.919 224 H ARG 32 H ARG 32 4.199 -2.111 -11.151 225 HA ARG 32 HA ARG 32 1.591 -1.758 -10.153 226 HB2 ARG 32 HB2 ARG 32 2.661 -0.850 -12.307 227 HB3 ARG 32 HB3 ARG 32 2.239 -2.395 -13.027 228 HG2 ARG 32 HG2 ARG 32 0.570 -0.684 -13.514 229 HG3 ARG 32 HG3 ARG 32 -0.116 -1.991 -12.542 230 HD2 ARG 32 HD2 ARG 32 -0.139 -0.681 -10.599 231 HD3 ARG 32 HD3 ARG 32 0.987 0.496 -11.271 232 HE ARG 32 HE ARG 32 -1.669 0.236 -12.479 233 HH11 ARG 32 HH11 ARG 32 0.579 2.070 -10.531 234 HH12 ARG 32 HH12 ARG 32 -0.282 3.563 -10.705 235 HH21 ARG 32 HH21 ARG 32 -2.822 2.230 -12.701 236 HH22 ARG 32 HH22 ARG 32 -2.207 3.651 -11.914 237 H ALA 33 H ALA 33 3.160 -4.501 -11.761 238 HA ALA 33 HA ALA 33 0.838 -6.087 -12.043 239 HB1 ALA 33 HB1 ALA 33 2.347 -7.944 -12.428 240 HB2 ALA 33 HB2 ALA 33 3.695 -7.009 -11.780 241 HB3 ALA 33 HB3 ALA 33 2.914 -6.508 -13.280 242 H LYS 34 H LYS 34 3.014 -5.556 -9.372 243 HA LYS 34 HA LYS 34 2.502 -7.819 -7.832 244 HB2 LYS 34 HB2 LYS 34 3.783 -5.282 -7.490 245 HB3 LYS 34 HB3 LYS 34 2.821 -5.638 -6.063 246 HG2 LYS 34 HG2 LYS 34 4.826 -7.542 -7.252 247 HG3 LYS 34 HG3 LYS 34 5.188 -6.409 -5.946 248 HD2 LYS 34 HD2 LYS 34 3.425 -7.459 -4.581 249 HD3 LYS 34 HD3 LYS 34 3.121 -8.611 -5.882 250 HE2 LYS 34 HE2 LYS 34 5.784 -8.284 -4.513 251 HE3 LYS 34 HE3 LYS 34 4.569 -9.464 -4.024 252 HZ1 LYS 34 HZ1 LYS 34 5.707 -9.340 -6.765 253 HZ2 LYS 34 HZ2 LYS 34 4.765 -10.577 -6.090 254 HZ3 LYS 34 HZ3 LYS 34 6.343 -10.317 -5.536 255 H HIS 35 H HIS 35 0.478 -5.037 -8.400 256 HA HIS 35 HA HIS 35 -1.110 -5.078 -6.105 257 HB2 HIS 35 HB2 HIS 35 -2.625 -3.718 -7.205 258 HB3 HIS 35 HB3 HIS 35 -1.171 -3.426 -8.140 259 HD1 HIS 35 HD1 HIS 35 -1.128 -4.464 -10.579 260 HD2 HIS 35 HD2 HIS 35 -4.754 -4.828 -8.572 261 HE1 HIS 35 HE1 HIS 35 -2.819 -5.080 -12.338 262 HE2 HIS 35 HE2 HIS 35 -4.980 -5.419 -11.088 263 H ASP 36 H ASP 36 -1.172 -7.092 -8.939 264 HA ASP 36 HA ASP 36 -3.718 -8.263 -8.530 265 HB2 ASP 36 HB2 ASP 36 -2.581 -8.295 -10.704 266 HB3 ASP 36 HB3 ASP 36 -1.319 -9.330 -10.044 267 H GLN 37 H GLN 37 -0.438 -9.404 -7.812 268 HA GLN 37 HA GLN 37 -1.162 -11.845 -6.633 269 HB2 GLN 37 HB2 GLN 37 1.116 -11.302 -7.414 270 HB3 GLN 37 HB3 GLN 37 1.273 -10.124 -6.118 271 HG2 GLN 37 HG2 GLN 37 1.007 -11.963 -4.482 272 HG3 GLN 37 HG3 GLN 37 0.992 -13.104 -5.825 273 HE21 GLN 37 HE21 GLN 37 2.843 -12.873 -3.595 274 HE22 GLN 37 HE22 GLN 37 4.417 -12.680 -4.298 275 H GLN 38 H GLN 38 -0.430 -8.688 -5.197 276 HA GLN 38 HA GLN 38 -0.747 -9.555 -2.519 277 HB2 GLN 38 HB2 GLN 38 -0.881 -6.752 -3.647 278 HB3 GLN 38 HB3 GLN 38 -0.707 -7.163 -1.945 279 HG2 GLN 38 HG2 GLN 38 1.264 -7.759 -4.138 280 HG3 GLN 38 HG3 GLN 38 1.423 -6.527 -2.889 281 HE21 GLN 38 HE21 GLN 38 1.915 -7.151 -0.789 282 HE22 GLN 38 HE22 GLN 38 2.525 -8.723 -0.414 283 H PHE 39 H PHE 39 -2.965 -8.167 -4.873 284 HA PHE 39 HA PHE 39 -5.055 -7.545 -3.087 285 HB2 PHE 39 HB2 PHE 39 -4.966 -6.686 -5.393 286 HB3 PHE 39 HB3 PHE 39 -5.232 -8.312 -6.010 287 HD1 PHE 39 HD1 PHE 39 -6.804 -5.992 -3.547 288 HD2 PHE 39 HD2 PHE 39 -7.356 -8.781 -6.712 289 HE1 PHE 39 HE1 PHE 39 -9.230 -5.606 -3.458 290 HE2 PHE 39 HE2 PHE 39 -9.786 -8.402 -6.627 291 HZ PHE 39 HZ PHE 39 -10.723 -6.806 -5.000 292 H HIS 40 H HIS 40 -4.260 -10.477 -4.883 293 HA HIS 40 HA HIS 40 -6.592 -11.915 -4.160 294 HB2 HIS 40 HB2 HIS 40 -5.057 -12.526 -6.045 295 HB3 HIS 40 HB3 HIS 40 -3.872 -13.048 -4.853 296 HD1 HIS 40 HD1 HIS 40 -7.377 -13.904 -6.032 297 HD2 HIS 40 HD2 HIS 40 -4.183 -15.629 -3.991 298 HE1 HIS 40 HE1 HIS 40 -7.975 -16.335 -5.755 299 HE2 HIS 40 HE2 HIS 40 -5.988 -17.382 -4.615 300 H SER 41 H SER 41 -3.413 -11.543 -2.705 301 HA SER 41 HA SER 41 -3.884 -13.468 -0.640 302 HB2 SER 41 HB2 SER 41 -1.611 -12.940 -1.487 303 HB3 SER 41 HB3 SER 41 -1.756 -11.314 -0.820 304 HG SER 41 HG SER 41 -2.156 -12.496 1.255 305 H LEU 42 H LEU 42 -4.728 -10.202 -1.095 306 HA LEU 42 HA LEU 42 -4.761 -9.250 1.559 307 HB2 LEU 42 HB2 LEU 42 -5.342 -8.258 -0.965 308 HB3 LEU 42 HB3 LEU 42 -6.892 -8.231 -0.153 309 HG LEU 42 HG LEU 42 -5.794 -6.087 0.038 310 HD11 LEU 42 HD11 LEU 42 -5.840 -5.803 2.459 311 HD12 LEU 42 HD12 LEU 42 -5.805 -7.554 2.668 312 HD13 LEU 42 HD13 LEU 42 -7.192 -6.784 1.897 313 HD21 LEU 42 HD21 LEU 42 -3.570 -7.592 1.399 314 HD22 LEU 42 HD22 LEU 42 -3.701 -5.837 1.277 315 HD23 LEU 42 HD23 LEU 42 -3.493 -6.807 -0.180 316 H LYS 43 H LYS 43 -6.648 -11.553 -0.024 317 HA LYS 43 HA LYS 43 -8.562 -12.668 0.378 318 HB2 LYS 43 HB2 LYS 43 -7.554 -12.795 2.712 319 HB3 LYS 43 HB3 LYS 43 -8.565 -11.427 3.138 320 HG2 LYS 43 HG2 LYS 43 -9.803 -13.903 2.004 321 HG3 LYS 43 HG3 LYS 43 -9.337 -13.838 3.702 322 HD2 LYS 43 HD2 LYS 43 -10.679 -11.672 3.805 323 HD3 LYS 43 HD3 LYS 43 -11.348 -12.148 2.245 324 HE2 LYS 43 HE2 LYS 43 -12.265 -14.153 3.170 325 HE3 LYS 43 HE3 LYS 43 -11.428 -13.892 4.699 326 HZ1 LYS 43 HZ1 LYS 43 -13.663 -12.280 3.585 327 HZ2 LYS 43 HZ2 LYS 43 -12.773 -11.833 4.957 328 HZ3 LYS 43 HZ3 LYS 43 -13.689 -13.258 4.971 329 HA PRO 44 HA PRO 44 -10.694 -8.703 -0.771 330 HB2 PRO 44 HB2 PRO 44 -11.680 -10.511 -2.879 331 HB3 PRO 44 HB3 PRO 44 -11.005 -8.889 -3.016 332 HG2 PRO 44 HG2 PRO 44 -9.646 -11.104 -3.754 333 HG3 PRO 44 HG3 PRO 44 -8.855 -9.644 -3.141 334 HD2 PRO 44 HD2 PRO 44 -9.278 -12.260 -1.804 335 HD3 PRO 44 HD3 PRO 44 -8.011 -11.049 -1.562 336 H ILE 45 H ILE 45 -12.672 -8.224 -0.150 337 HA ILE 45 HA ILE 45 -14.468 -10.342 0.741 338 HB ILE 45 HB ILE 45 -14.739 -7.336 0.988 339 HG12 ILE 45 HG12 ILE 45 -13.861 -9.355 3.065 340 HG13 ILE 45 HG13 ILE 45 -12.778 -8.266 2.203 341 HG21 ILE 45 HG21 ILE 45 -16.264 -9.562 2.338 342 HG22 ILE 45 HG22 ILE 45 -16.888 -8.487 1.086 343 HG23 ILE 45 HG23 ILE 45 -16.450 -7.840 2.669 344 HD11 ILE 45 HD11 ILE 45 -13.902 -6.352 3.208 345 HD12 ILE 45 HD12 ILE 45 -13.279 -7.454 4.437 346 HD13 ILE 45 HD13 ILE 45 -15.001 -7.440 4.056 347 H SER 46 H SER 46 -15.182 -11.164 -1.220 348 HA SER 46 HA SER 46 -16.565 -11.382 -2.996 349 HB2 SER 46 HB2 SER 46 -17.899 -8.940 -1.798 350 HB3 SER 46 HB3 SER 46 -18.603 -9.972 -3.046 351 HG SER 46 HG SER 46 -18.360 -11.736 -1.525 352 H GLY 47 H GLY 47 -14.141 -9.575 -3.140 353 HA2 GLY 47 HA2 GLY 47 -13.435 -9.122 -5.467 354 HA3 GLY 47 HA3 GLY 47 -14.949 -8.256 -5.655 355 H PHE 48 H PHE 48 -14.303 -7.255 -2.727 356 HA PHE 48 HA PHE 48 -12.348 -5.224 -3.571 357 HB2 PHE 48 HB2 PHE 48 -13.682 -3.477 -2.446 358 HB3 PHE 48 HB3 PHE 48 -14.535 -4.201 -3.801 359 HD1 PHE 48 HD2 PHE 48 -14.385 -3.924 -0.140 360 HD2 PHE 48 HD1 PHE 48 -16.547 -5.449 -3.475 361 HE1 PHE 48 HE2 PHE 48 -16.313 -4.372 1.318 362 HE2 PHE 48 HE1 PHE 48 -18.479 -5.900 -2.019 363 HZ PHE 48 HZ PHE 48 -18.362 -5.361 0.382 364 H ILE 49 H ILE 49 -11.588 -3.889 -1.652 365 HA ILE 49 HA ILE 49 -11.426 -5.572 0.747 366 HB ILE 49 HB ILE 49 -9.151 -4.806 1.183 367 HG12 ILE 49 HG12 ILE 49 -9.248 -2.655 -0.066 368 HG13 ILE 49 HG13 ILE 49 -7.815 -3.605 -0.432 369 HG21 ILE 49 HG21 ILE 49 -9.441 -6.910 0.050 370 HG22 ILE 49 HG22 ILE 49 -7.998 -6.098 -0.556 371 HG23 ILE 49 HG23 ILE 49 -9.478 -6.096 -1.515 372 HD11 ILE 49 HD11 ILE 49 -8.836 -4.323 -2.533 373 HD12 ILE 49 HD12 ILE 49 -8.719 -2.567 -2.426 374 HD13 ILE 49 HD13 ILE 49 -10.269 -3.365 -2.159 375 H THR 50 H THR 50 -10.253 -3.939 2.513 376 HA THR 50 HA THR 50 -11.423 -1.332 2.484 377 HB THR 50 HB THR 50 -13.432 -2.699 2.938 378 HG1 THR 50 HG1 THR 50 -14.123 -1.497 4.693 379 HG21 THR 50 HG21 THR 50 -11.966 -3.574 5.428 380 HG22 THR 50 HG22 THR 50 -12.321 -4.591 4.032 381 HG23 THR 50 HG23 THR 50 -13.639 -3.956 5.015 382 H GLY 51 H GLY 51 -11.353 -0.482 4.924 383 HA2 GLY 51 HA2 GLY 51 -8.668 -0.247 5.591 384 HA3 GLY 51 HA3 GLY 51 -10.004 0.161 6.653 385 H ASP 52 H ASP 52 -11.092 -2.449 6.969 386 HA ASP 52 HA ASP 52 -9.476 -3.370 9.090 387 HB2 ASP 52 HB2 ASP 52 -11.889 -3.722 9.087 388 HB3 ASP 52 HB3 ASP 52 -11.749 -4.777 7.684 389 H GLN 53 H GLN 53 -9.900 -4.541 5.782 390 HA GLN 53 HA GLN 53 -8.188 -6.792 6.162 391 HB2 GLN 53 HB2 GLN 53 -9.156 -5.417 3.656 392 HB3 GLN 53 HB3 GLN 53 -8.168 -6.871 3.652 393 HG2 GLN 53 HG2 GLN 53 -10.900 -6.609 4.881 394 HG3 GLN 53 HG3 GLN 53 -10.535 -7.369 3.335 395 HE21 GLN 53 HE21 GLN 53 -11.316 -9.358 3.936 396 HE22 GLN 53 HE22 GLN 53 -10.545 -10.373 5.107 397 H ALA 54 H ALA 54 -7.778 -3.480 5.134 398 HA ALA 54 HA ALA 54 -5.147 -3.615 4.193 399 HB1 ALA 54 HB1 ALA 54 -6.598 -1.654 3.902 400 HB2 ALA 54 HB2 ALA 54 -5.048 -1.219 4.623 401 HB3 ALA 54 HB3 ALA 54 -6.490 -1.326 5.633 402 H ARG 55 H ARG 55 -6.317 -2.715 7.452 403 HA ARG 55 HA ARG 55 -3.781 -2.458 8.601 404 HB2 ARG 55 HB2 ARG 55 -4.953 -2.797 10.799 405 HB3 ARG 55 HB3 ARG 55 -5.639 -1.540 9.781 406 HG2 ARG 55 HG2 ARG 55 -7.525 -2.801 9.282 407 HG3 ARG 55 HG3 ARG 55 -6.749 -4.317 9.741 408 HD2 ARG 55 HD2 ARG 55 -7.465 -2.105 11.658 409 HD3 ARG 55 HD3 ARG 55 -8.453 -3.535 11.361 410 HE ARG 55 HE ARG 55 -5.898 -3.429 12.773 411 HH11 ARG 55 HH11 ARG 55 -8.565 -5.348 11.544 412 HH12 ARG 55 HH12 ARG 55 -8.173 -6.737 12.512 413 HH21 ARG 55 HH21 ARG 55 -5.383 -5.264 14.043 414 HH22 ARG 55 HH22 ARG 55 -6.380 -6.684 13.941 415 H ASN 56 H ASN 56 -5.861 -5.299 8.286 416 HA ASN 56 HA ASN 56 -4.353 -6.962 10.015 417 HB2 ASN 56 HB2 ASN 56 -6.699 -7.434 9.368 418 HB3 ASN 56 HB3 ASN 56 -6.166 -7.769 7.726 419 HD21 ASN 56 HD21 ASN 56 -6.849 -9.875 7.720 420 HD22 ASN 56 HD22 ASN 56 -6.102 -11.111 8.666 421 H PHE 57 H PHE 57 -4.448 -6.754 6.460 422 HA PHE 57 HA PHE 57 -2.463 -8.724 6.045 423 HB2 PHE 57 HB2 PHE 57 -4.069 -8.065 4.303 424 HB3 PHE 57 HB3 PHE 57 -3.317 -6.475 4.216 425 HD1 PHE 57 HD1 PHE 57 -1.089 -6.205 3.274 426 HD2 PHE 57 HD2 PHE 57 -3.047 -9.981 3.283 427 HE1 PHE 57 HE1 PHE 57 0.501 -7.029 1.613 428 HE2 PHE 57 HE2 PHE 57 -1.449 -10.815 1.608 429 HZ PHE 57 HZ PHE 57 0.334 -9.336 0.769 430 H PHE 58 H PHE 58 -2.290 -5.173 6.047 431 HA PHE 58 HA PHE 58 0.431 -4.957 5.436 432 HB2 PHE 58 HB2 PHE 58 -1.421 -3.132 6.971 433 HB3 PHE 58 HB3 PHE 58 0.250 -2.708 6.627 434 HD1 PHE 58 HD1 PHE 58 -2.019 -4.505 4.317 435 HD2 PHE 58 HD2 PHE 58 -0.123 -0.819 5.277 436 HE1 PHE 58 HE1 PHE 58 -2.715 -3.587 2.147 437 HE2 PHE 58 HE2 PHE 58 -0.816 0.105 3.106 438 HZ PHE 58 HZ PHE 58 -2.116 -1.277 1.539 439 H PHE 59 H PHE 59 -1.214 -5.261 8.567 440 HA PHE 59 HA PHE 59 1.081 -5.029 10.183 441 HB2 PHE 59 HB2 PHE 59 -1.257 -4.888 11.030 442 HB3 PHE 59 HB3 PHE 59 -1.441 -6.610 10.732 443 HD1 PHE 59 HD1 PHE 59 0.739 -4.231 12.581 444 HD2 PHE 59 HD2 PHE 59 -1.038 -8.096 12.446 445 HE1 PHE 59 HE1 PHE 59 1.605 -4.706 14.832 446 HE2 PHE 59 HE2 PHE 59 -0.169 -8.580 14.697 447 HZ PHE 59 HZ PHE 59 1.154 -6.881 15.891 448 H GLN 60 H GLN 60 -0.470 -7.760 8.602 449 HA GLN 60 HA GLN 60 1.187 -9.737 9.846 450 HB2 GLN 60 HB2 GLN 60 -1.138 -10.155 9.043 451 HB3 GLN 60 HB3 GLN 60 -0.563 -9.988 7.390 452 HG2 GLN 60 HG2 GLN 60 0.784 -11.937 7.585 453 HG3 GLN 60 HG3 GLN 60 0.481 -12.044 9.320 454 HE21 GLN 60 HE21 GLN 60 -0.846 -12.504 6.136 455 HE22 GLN 60 HE22 GLN 60 -2.213 -13.453 6.632 456 H SER 61 H SER 61 1.792 -7.484 7.495 457 HA SER 61 HA SER 61 3.592 -9.087 5.899 458 HB2 SER 61 HB2 SER 61 3.159 -6.090 5.947 459 HB3 SER 61 HB3 SER 61 4.105 -6.973 4.749 460 HG SER 61 HG SER 61 1.358 -7.499 5.256 461 H GLY 62 H GLY 62 3.723 -7.663 8.914 462 HA2 GLY 62 HA2 GLY 62 5.574 -7.878 10.352 463 HA3 GLY 62 HA3 GLY 62 6.624 -7.992 8.948 464 H LEU 63 H LEU 63 4.210 -5.500 9.593 465 HA LEU 63 HA LEU 63 6.383 -3.583 10.091 466 HB2 LEU 63 HB2 LEU 63 3.999 -3.260 8.272 467 HB3 LEU 63 HB3 LEU 63 4.918 -1.894 8.869 468 HG LEU 63 HG LEU 63 6.071 -4.126 7.178 469 HD11 LEU 63 HD11 LEU 63 4.472 -2.816 5.909 470 HD12 LEU 63 HD12 LEU 63 6.118 -2.456 5.390 471 HD13 LEU 63 HD13 LEU 63 5.253 -1.323 6.430 472 HD21 LEU 63 HD21 LEU 63 7.710 -3.070 8.644 473 HD22 LEU 63 HD22 LEU 63 7.223 -1.479 8.060 474 HD23 LEU 63 HD23 LEU 63 7.989 -2.626 6.961 475 HA PRO 64 HA PRO 64 3.906 -2.559 13.613 476 HB2 PRO 64 HB2 PRO 64 5.054 -0.223 14.322 477 HB3 PRO 64 HB3 PRO 64 5.868 -1.780 14.523 478 HG2 PRO 64 HG2 PRO 64 6.215 0.279 12.385 479 HG3 PRO 64 HG3 PRO 64 7.445 -0.677 13.229 480 HD2 PRO 64 HD2 PRO 64 6.508 -1.278 10.729 481 HD3 PRO 64 HD3 PRO 64 7.151 -2.491 11.854 482 H GLN 65 H GLN 65 2.499 -0.921 14.480 483 HA GLN 65 HA GLN 65 0.540 -0.146 12.728 484 HB2 GLN 65 HB2 GLN 65 1.105 1.115 15.412 485 HB3 GLN 65 HB3 GLN 65 -0.412 1.203 14.534 486 HG2 GLN 65 HG2 GLN 65 -0.777 -0.430 16.148 487 HG3 GLN 65 HG3 GLN 65 -0.443 -1.345 14.680 488 HE21 GLN 65 HE21 GLN 65 0.815 -0.310 17.755 489 HE22 GLN 65 HE22 GLN 65 2.069 -1.498 17.872 490 HA PRO 66 HA PRO 66 2.155 4.517 12.938 491 HB2 PRO 66 HB2 PRO 66 5.061 3.881 13.143 492 HB3 PRO 66 HB3 PRO 66 4.156 5.249 13.803 493 HG2 PRO 66 HG2 PRO 66 4.937 3.267 15.388 494 HG3 PRO 66 HG3 PRO 66 3.341 4.012 15.593 495 HD2 PRO 66 HD2 PRO 66 4.068 1.394 14.348 496 HD3 PRO 66 HD3 PRO 66 2.671 1.812 15.360 497 H VAL 67 H VAL 67 4.150 1.919 11.603 498 HA VAL 67 HA VAL 67 4.795 3.311 9.192 499 HB VAL 67 HB VAL 67 4.956 0.385 9.929 500 HG11 VAL 67 HG11 VAL 67 6.302 0.073 7.913 501 HG12 VAL 67 HG12 VAL 67 5.994 1.745 7.443 502 HG13 VAL 67 HG13 VAL 67 4.664 0.590 7.513 503 HG21 VAL 67 HG21 VAL 67 6.489 1.819 11.149 504 HG22 VAL 67 HG22 VAL 67 7.060 2.530 9.639 505 HG23 VAL 67 HG23 VAL 67 7.376 0.829 9.988 506 H LEU 68 H LEU 68 2.392 0.908 10.128 507 HA LEU 68 HA LEU 68 1.245 0.454 7.608 508 HB2 LEU 68 HB2 LEU 68 -0.162 0.443 10.278 509 HB3 LEU 68 HB3 LEU 68 -0.674 -0.387 8.825 510 HG LEU 68 HG LEU 68 1.741 -1.022 10.513 511 HD11 LEU 68 HD11 LEU 68 -0.339 -1.765 11.493 512 HD12 LEU 68 HD12 LEU 68 0.567 -3.150 10.884 513 HD13 LEU 68 HD13 LEU 68 -0.812 -2.529 9.976 514 HD21 LEU 68 HD21 LEU 68 0.804 -2.322 7.960 515 HD22 LEU 68 HD22 LEU 68 2.110 -2.899 8.995 516 HD23 LEU 68 HD23 LEU 68 2.264 -1.353 8.162 517 H ALA 69 H ALA 69 0.285 2.644 10.201 518 HA ALA 69 HA ALA 69 -1.880 3.860 8.935 519 HB1 ALA 69 HB1 ALA 69 -1.424 4.084 11.322 520 HB2 ALA 69 HB2 ALA 69 -1.607 5.663 10.556 521 HB3 ALA 69 HB3 ALA 69 0.001 5.062 10.962 522 H GLN 70 H GLN 70 1.567 4.650 8.823 523 HA GLN 70 HA GLN 70 1.337 7.064 7.436 524 HB2 GLN 70 HB2 GLN 70 3.340 6.297 8.653 525 HB3 GLN 70 HB3 GLN 70 3.590 5.056 7.433 526 HG2 GLN 70 HG2 GLN 70 5.046 6.933 7.085 527 HG3 GLN 70 HG3 GLN 70 3.917 6.755 5.747 528 HE21 GLN 70 HE21 GLN 70 2.316 8.296 5.441 529 HE22 GLN 70 HE22 GLN 70 2.355 9.840 6.220 530 H ILE 71 H ILE 71 1.649 3.709 6.319 531 HA ILE 71 HA ILE 71 1.792 4.353 3.546 532 HB ILE 71 HB ILE 71 0.880 1.803 4.899 533 HG12 ILE 71 HG12 ILE 71 3.494 2.414 3.516 534 HG13 ILE 71 HG13 ILE 71 3.268 2.518 5.255 535 HG21 ILE 71 HG21 ILE 71 1.221 0.731 2.716 536 HG22 ILE 71 HG22 ILE 71 1.547 2.312 2.002 537 HG23 ILE 71 HG23 ILE 71 -0.050 1.954 2.658 538 HD11 ILE 71 HD11 ILE 71 2.974 0.040 3.574 539 HD12 ILE 71 HD12 ILE 71 2.726 0.133 5.317 540 HD13 ILE 71 HD13 ILE 71 4.326 0.431 4.637 541 H TRP 72 H TRP 72 -0.828 3.485 5.734 542 HA TRP 72 HA TRP 72 -2.880 3.354 3.814 543 HB2 TRP 72 HB2 TRP 72 -3.009 2.381 6.080 544 HB3 TRP 72 HB3 TRP 72 -3.080 4.002 6.761 545 HD1 TRP 72 HD1 TRP 72 -5.084 2.858 3.679 546 HE1 TRP 72 HE1 TRP 72 -7.583 3.034 4.238 547 HE3 TRP 72 HE3 TRP 72 -4.716 4.112 8.612 548 HZ2 TRP 72 HZ2 TRP 72 -9.189 3.620 6.474 549 HZ3 TRP 72 HZ3 TRP 72 -6.785 4.455 9.900 550 HH2 TRP 72 HH2 TRP 72 -8.977 4.213 8.848 551 H ALA 73 H ALA 73 -1.753 6.019 5.867 552 HA ALA 73 HA ALA 73 -3.768 7.848 5.071 553 HB1 ALA 73 HB1 ALA 73 -2.477 8.124 7.127 554 HB2 ALA 73 HB2 ALA 73 -2.367 9.555 6.102 555 HB3 ALA 73 HB3 ALA 73 -1.020 8.417 6.176 556 H LEU 74 H LEU 74 -1.088 6.615 3.435 557 HA LEU 74 HA LEU 74 -0.810 8.912 1.665 558 HB2 LEU 74 HB2 LEU 74 0.750 6.409 2.148 559 HB3 LEU 74 HB3 LEU 74 0.953 7.282 0.646 560 HG LEU 74 HG LEU 74 1.426 8.434 3.399 561 HD11 LEU 74 HD11 LEU 74 3.374 7.586 1.258 562 HD12 LEU 74 HD12 LEU 74 3.092 6.757 2.790 563 HD13 LEU 74 HD13 LEU 74 3.782 8.379 2.781 564 HD21 LEU 74 HD21 LEU 74 0.660 10.094 1.799 565 HD22 LEU 74 HD22 LEU 74 1.887 9.570 0.646 566 HD23 LEU 74 HD23 LEU 74 2.370 10.326 2.165 567 H ALA 75 H ALA 75 -1.951 5.580 1.670 568 HA ALA 75 HA ALA 75 -1.815 5.145 -1.099 569 HB1 ALA 75 HB1 ALA 75 -3.592 3.793 0.928 570 HB2 ALA 75 HB2 ALA 75 -1.939 3.325 0.529 571 HB3 ALA 75 HB3 ALA 75 -3.212 3.191 -0.685 572 H ASP 76 H ASP 76 -4.882 5.329 0.753 573 HA ASP 76 HA ASP 76 -6.094 6.558 -1.555 574 HB2 ASP 76 HB2 ASP 76 -8.165 6.576 -0.163 575 HB3 ASP 76 HB3 ASP 76 -7.501 4.979 -0.414 576 H MET 77 H MET 77 -5.249 8.451 -1.861 577 HA MET 77 HA MET 77 -4.104 10.153 -0.045 578 HB2 MET 77 HB2 MET 77 -5.284 10.649 -2.758 579 HB3 MET 77 HB3 MET 77 -4.494 11.929 -1.848 580 HG2 MET 77 HG2 MET 77 -2.417 10.807 -1.876 581 HG3 MET 77 HG3 MET 77 -3.152 9.312 -2.447 582 HE1 MET 77 HE1 MET 77 -3.536 8.694 -4.867 583 HE2 MET 77 HE2 MET 77 -3.758 9.866 -6.165 584 HE3 MET 77 HE3 MET 77 -4.898 9.815 -4.821 585 H ASN 78 H ASN 78 -7.509 10.039 -0.935 586 HA ASN 78 HA ASN 78 -8.135 12.508 0.414 587 HB2 ASN 78 HB2 ASN 78 -9.470 11.474 -1.494 588 HB3 ASN 78 HB3 ASN 78 -10.063 10.301 -0.326 589 HD21 ASN 78 HD21 ASN 78 -11.556 10.937 1.216 590 HD22 ASN 78 HD22 ASN 78 -12.374 12.461 1.145 591 H ASN 79 H ASN 79 -7.343 9.447 1.360 592 HA ASN 79 HA ASN 79 -7.665 8.061 3.091 593 HB2 ASN 79 HB2 ASN 79 -6.330 9.916 4.110 594 HB3 ASN 79 HB3 ASN 79 -7.835 10.575 4.747 595 HD21 ASN 79 HD21 ASN 79 -5.813 7.693 4.719 596 HD22 ASN 79 HD22 ASN 79 -6.264 7.138 6.293 597 H ASP 80 H ASP 80 -9.611 7.395 2.235 598 HA ASP 80 HA ASP 80 -12.064 8.362 3.507 599 HB2 ASP 80 HB2 ASP 80 -12.084 8.040 1.061 600 HB3 ASP 80 HB3 ASP 80 -11.619 6.357 1.276 601 H GLY 81 H GLY 81 -9.762 5.802 3.493 602 HA2 GLY 81 HA2 GLY 81 -9.487 4.274 5.267 603 HA3 GLY 81 HA3 GLY 81 -11.153 4.560 5.749 604 H ARG 82 H ARG 82 -10.187 3.846 2.471 605 HA ARG 82 HA ARG 82 -11.557 1.264 2.736 606 HB2 ARG 82 HB2 ARG 82 -12.633 1.623 0.579 607 HB3 ARG 82 HB3 ARG 82 -13.045 2.897 1.711 608 HG2 ARG 82 HG2 ARG 82 -11.446 4.393 0.641 609 HG3 ARG 82 HG3 ARG 82 -11.019 3.118 -0.503 610 HD2 ARG 82 HD2 ARG 82 -13.707 4.448 -0.185 611 HD3 ARG 82 HD3 ARG 82 -12.588 4.638 -1.535 612 HE ARG 82 HE ARG 82 -13.026 2.311 -2.100 613 HH11 ARG 82 HH11 ARG 82 -15.221 3.865 0.127 614 HH12 ARG 82 HH12 ARG 82 -16.542 2.783 -0.204 615 HH21 ARG 82 HH21 ARG 82 -14.749 0.856 -2.531 616 HH22 ARG 82 HH22 ARG 82 -16.260 1.050 -1.695 617 H MET 83 H MET 83 -9.366 3.167 0.800 618 HA MET 83 HA MET 83 -8.026 2.667 -0.953 619 HB2 MET 83 HB2 MET 83 -6.155 1.188 -0.448 620 HB3 MET 83 HB3 MET 83 -6.503 2.271 0.882 621 HG2 MET 83 HG2 MET 83 -7.343 0.546 2.217 622 HG3 MET 83 HG3 MET 83 -7.528 -0.543 0.844 623 HE1 MET 83 HE1 MET 83 -4.926 1.359 3.099 624 HE2 MET 83 HE2 MET 83 -4.367 1.731 1.468 625 HE3 MET 83 HE3 MET 83 -3.403 0.690 2.517 626 H ASP 84 H ASP 84 -9.809 2.020 -2.271 627 HA ASP 84 HA ASP 84 -10.412 -0.767 -2.619 628 HB2 ASP 84 HB2 ASP 84 -11.963 1.190 -3.132 629 HB3 ASP 84 HB3 ASP 84 -10.979 1.490 -4.559 630 H GLN 85 H GLN 85 -10.260 -1.292 -5.320 631 HA GLN 85 HA GLN 85 -7.695 -2.326 -5.438 632 HB2 GLN 85 HB2 GLN 85 -9.639 -1.819 -7.682 633 HB3 GLN 85 HB3 GLN 85 -8.140 -2.711 -7.885 634 HG2 GLN 85 HG2 GLN 85 -9.701 -4.379 -7.592 635 HG3 GLN 85 HG3 GLN 85 -9.009 -4.202 -5.982 636 HE21 GLN 85 HE21 GLN 85 -10.278 -3.311 -4.329 637 HE22 GLN 85 HE22 GLN 85 -11.990 -3.109 -4.487 638 H VAL 86 H VAL 86 -8.798 0.743 -6.876 639 HA VAL 86 HA VAL 86 -6.337 1.189 -8.251 640 HB VAL 86 HB VAL 86 -8.446 3.198 -7.431 641 HG11 VAL 86 HG11 VAL 86 -7.464 4.640 -9.149 642 HG12 VAL 86 HG12 VAL 86 -6.194 3.448 -9.423 643 HG13 VAL 86 HG13 VAL 86 -6.306 4.275 -7.870 644 HG21 VAL 86 HG21 VAL 86 -8.007 1.741 -10.038 645 HG22 VAL 86 HG22 VAL 86 -9.194 3.016 -9.767 646 HG23 VAL 86 HG23 VAL 86 -9.335 1.484 -8.907 647 H GLU 87 H GLU 87 -7.656 2.454 -5.188 648 HA GLU 87 HA GLU 87 -5.351 3.937 -4.494 649 HB2 GLU 87 HB2 GLU 87 -7.351 2.737 -2.574 650 HB3 GLU 87 HB3 GLU 87 -6.307 4.119 -2.287 651 HG2 GLU 87 HG2 GLU 87 -8.207 5.237 -2.743 652 HG3 GLU 87 HG3 GLU 87 -7.632 5.050 -4.399 653 H PHE 88 H PHE 88 -6.247 0.586 -4.029 654 HA PHE 88 HA PHE 88 -4.132 -0.029 -2.217 655 HB2 PHE 88 HB2 PHE 88 -6.069 -1.465 -2.289 656 HB3 PHE 88 HB3 PHE 88 -5.827 -1.784 -4.003 657 HD1 PHE 88 HD2 PHE 88 -4.074 -2.149 -0.730 658 HD2 PHE 88 HD1 PHE 88 -4.731 -3.701 -4.639 659 HE1 PHE 88 HE2 PHE 88 -2.695 -4.109 -0.180 660 HE2 PHE 88 HE1 PHE 88 -3.350 -5.663 -4.095 661 HZ PHE 88 HZ PHE 88 -2.332 -5.868 -1.865 662 H SER 89 H SER 89 -4.404 0.220 -5.665 663 HA SER 89 HA SER 89 -2.197 -1.390 -6.361 664 HB2 SER 89 HB2 SER 89 -3.608 0.825 -7.843 665 HB3 SER 89 HB3 SER 89 -2.288 -0.111 -8.545 666 HG SER 89 HG SER 89 -4.822 -1.044 -7.663 667 H ILE 90 H ILE 90 -2.260 1.579 -4.780 668 HA ILE 90 HA ILE 90 0.500 2.159 -5.631 669 HB ILE 90 HB ILE 90 -1.073 4.027 -5.959 670 HG12 ILE 90 HG12 ILE 90 0.944 4.504 -3.757 671 HG13 ILE 90 HG13 ILE 90 1.274 4.526 -5.486 672 HG21 ILE 90 HG21 ILE 90 -1.434 3.920 -2.969 673 HG22 ILE 90 HG22 ILE 90 -2.654 3.545 -4.189 674 HG23 ILE 90 HG23 ILE 90 -2.040 5.190 -4.034 675 HD11 ILE 90 HD11 ILE 90 -0.506 6.435 -3.992 676 HD12 ILE 90 HD12 ILE 90 -0.216 6.448 -5.731 677 HD13 ILE 90 HD13 ILE 90 1.110 6.770 -4.614 678 H ALA 91 H ALA 91 -1.447 1.031 -3.060 679 HA ALA 91 HA ALA 91 0.174 1.958 -0.889 680 HB1 ALA 91 HB1 ALA 91 -2.240 1.529 -0.670 681 HB2 ALA 91 HB2 ALA 91 -1.281 0.645 0.516 682 HB3 ALA 91 HB3 ALA 91 -1.936 -0.193 -0.891 683 H MET 92 H MET 92 -0.028 -1.013 -2.754 684 HA MET 92 HA MET 92 1.425 -2.561 -0.853 685 HB2 MET 92 HB2 MET 92 1.566 -4.240 -2.769 686 HB3 MET 92 HB3 MET 92 -0.031 -3.818 -2.178 687 HG2 MET 92 HG2 MET 92 -0.193 -3.899 -4.515 688 HG3 MET 92 HG3 MET 92 -0.187 -2.190 -4.088 689 HE1 MET 92 HE1 MET 92 0.380 -1.417 -6.532 690 HE2 MET 92 HE2 MET 92 0.240 -3.109 -7.011 691 HE3 MET 92 HE3 MET 92 1.641 -2.164 -7.515 692 H LYS 93 H LYS 93 2.377 -0.463 -3.424 693 HA LYS 93 HA LYS 93 4.985 -1.518 -3.818 694 HB2 LYS 93 HB2 LYS 93 4.008 0.013 -5.454 695 HB3 LYS 93 HB3 LYS 93 3.958 1.296 -4.250 696 HG2 LYS 93 HG2 LYS 93 6.464 1.089 -4.088 697 HG3 LYS 93 HG3 LYS 93 6.386 0.032 -5.497 698 HD2 LYS 93 HD2 LYS 93 5.518 1.779 -6.861 699 HD3 LYS 93 HD3 LYS 93 5.257 2.825 -5.462 700 HE2 LYS 93 HE2 LYS 93 7.215 3.612 -6.541 701 HE3 LYS 93 HE3 LYS 93 7.746 2.768 -5.091 702 HZ1 LYS 93 HZ1 LYS 93 7.868 1.806 -7.890 703 HZ2 LYS 93 HZ2 LYS 93 8.140 0.789 -6.560 704 HZ3 LYS 93 HZ3 LYS 93 9.164 2.114 -6.847 705 H LEU 94 H LEU 94 3.610 0.865 -1.604 706 HA LEU 94 HA LEU 94 6.058 1.804 -0.593 707 HB2 LEU 94 HB2 LEU 94 3.550 2.667 -0.335 708 HB3 LEU 94 HB3 LEU 94 3.647 1.742 1.149 709 HG LEU 94 HG LEU 94 5.641 3.048 1.793 710 HD11 LEU 94 HD11 LEU 94 4.979 4.698 -0.633 711 HD12 LEU 94 HD12 LEU 94 6.402 3.674 -0.433 712 HD13 LEU 94 HD13 LEU 94 6.184 5.093 0.592 713 HD21 LEU 94 HD21 LEU 94 3.180 4.672 1.175 714 HD22 LEU 94 HD22 LEU 94 4.440 5.118 2.326 715 HD23 LEU 94 HD23 LEU 94 3.444 3.691 2.617 716 H ILE 95 H ILE 95 3.865 -0.789 0.418 717 HA ILE 95 HA ILE 95 5.165 -1.557 2.774 718 HB ILE 95 HB ILE 95 3.905 -3.496 0.828 719 HG12 ILE 95 HG12 ILE 95 2.501 -1.854 2.951 720 HG13 ILE 95 HG13 ILE 95 2.412 -1.542 1.220 721 HG21 ILE 95 HG21 ILE 95 5.073 -4.522 2.699 722 HG22 ILE 95 HG22 ILE 95 3.330 -4.741 2.869 723 HG23 ILE 95 HG23 ILE 95 4.163 -3.525 3.836 724 HD11 ILE 95 HD11 ILE 95 0.445 -2.729 2.013 725 HD12 ILE 95 HD12 ILE 95 1.467 -4.041 2.600 726 HD13 ILE 95 HD13 ILE 95 1.366 -3.709 0.872 727 H LYS 96 H LYS 96 5.652 -2.601 -0.559 728 HA LYS 96 HA LYS 96 7.607 -4.533 -0.201 729 HB2 LYS 96 HB2 LYS 96 6.415 -4.066 -2.323 730 HB3 LYS 96 HB3 LYS 96 7.341 -2.584 -2.502 731 HG2 LYS 96 HG2 LYS 96 9.405 -4.120 -2.405 732 HG3 LYS 96 HG3 LYS 96 8.259 -5.422 -2.736 733 HD2 LYS 96 HD2 LYS 96 7.487 -4.125 -4.728 734 HD3 LYS 96 HD3 LYS 96 8.797 -2.982 -4.430 735 HE2 LYS 96 HE2 LYS 96 10.367 -4.961 -4.548 736 HE3 LYS 96 HE3 LYS 96 9.000 -5.891 -5.161 737 HZ1 LYS 96 HZ1 LYS 96 8.821 -4.016 -6.881 738 HZ2 LYS 96 HZ2 LYS 96 10.059 -5.156 -7.068 739 HZ3 LYS 96 HZ3 LYS 96 10.405 -3.624 -6.423 740 H LEU 97 H LEU 97 7.946 -1.026 -0.498 741 HA LEU 97 HA LEU 97 10.836 -1.217 -0.522 742 HB2 LEU 97 HB2 LEU 97 9.590 0.409 -1.934 743 HB3 LEU 97 HB3 LEU 97 9.090 1.241 -0.474 744 HG LEU 97 HG LEU 97 11.453 1.734 0.043 745 HD11 LEU 97 HD11 LEU 97 13.175 1.337 -1.632 746 HD12 LEU 97 HD12 LEU 97 12.005 0.503 -2.654 747 HD13 LEU 97 HD13 LEU 97 12.461 -0.184 -1.096 748 HD21 LEU 97 HD21 LEU 97 10.583 2.594 -2.714 749 HD22 LEU 97 HD22 LEU 97 11.792 3.396 -1.710 750 HD23 LEU 97 HD23 LEU 97 10.107 3.352 -1.194 751 H LYS 98 H LYS 98 8.281 -0.290 1.728 752 HA LYS 98 HA LYS 98 10.063 0.858 3.635 753 HB2 LYS 98 HB2 LYS 98 7.240 -0.154 3.957 754 HB3 LYS 98 HB3 LYS 98 8.142 0.669 5.222 755 HG2 LYS 98 HG2 LYS 98 8.393 2.606 3.632 756 HG3 LYS 98 HG3 LYS 98 7.232 1.787 2.584 757 HD2 LYS 98 HD2 LYS 98 5.796 3.098 3.774 758 HD3 LYS 98 HD3 LYS 98 5.837 1.690 4.832 759 HE2 LYS 98 HE2 LYS 98 7.436 4.225 5.139 760 HE3 LYS 98 HE3 LYS 98 6.074 3.719 6.133 761 HZ1 LYS 98 HZ1 LYS 98 8.736 2.414 5.959 762 HZ2 LYS 98 HZ2 LYS 98 7.421 1.780 6.816 763 HZ3 LYS 98 HZ3 LYS 98 8.102 3.260 7.282 764 H LEU 99 H LEU 99 8.940 -2.390 3.008 765 HA LEU 99 HA LEU 99 9.855 -3.560 5.422 766 HB2 LEU 99 HB2 LEU 99 9.339 -4.643 2.673 767 HB3 LEU 99 HB3 LEU 99 10.012 -5.661 3.930 768 HG LEU 99 HG LEU 99 7.360 -4.226 4.108 769 HD11 LEU 99 HD11 LEU 99 7.304 -5.967 2.406 770 HD12 LEU 99 HD12 LEU 99 6.373 -6.450 3.825 771 HD13 LEU 99 HD13 LEU 99 7.979 -7.125 3.553 772 HD21 LEU 99 HD21 LEU 99 8.405 -4.611 6.280 773 HD22 LEU 99 HD22 LEU 99 8.622 -6.314 5.881 774 HD23 LEU 99 HD23 LEU 99 6.998 -5.652 6.060 775 H GLN 100 H GLN 100 11.518 -2.172 2.828 776 HA GLN 100 HA GLN 100 13.979 -3.652 3.277 777 HB2 GLN 100 HB2 GLN 100 13.378 -2.914 1.000 778 HB3 GLN 100 HB3 GLN 100 13.387 -1.243 1.535 779 HG2 GLN 100 HG2 GLN 100 15.402 -1.765 0.310 780 HG3 GLN 100 HG3 GLN 100 15.776 -1.395 1.994 781 HE21 GLN 100 HE21 GLN 100 15.573 -3.891 -0.418 782 HE22 GLN 100 HE22 GLN 100 16.522 -5.062 0.438 783 H GLY 101 H GLY 101 12.321 -1.244 4.816 784 HA2 GLY 101 HA2 GLY 101 13.099 -0.175 6.775 785 HA3 GLY 101 HA3 GLY 101 14.745 -0.325 6.175 786 H TYR 102 H TYR 102 11.794 1.059 4.749 787 HA TYR 102 HA TYR 102 13.277 3.584 4.445 788 HB2 TYR 102 HB2 TYR 102 11.397 2.215 2.563 789 HB3 TYR 102 HB3 TYR 102 11.597 3.954 2.501 790 HD1 TYR 102 HD1 TYR 102 13.603 0.798 2.386 791 HD2 TYR 102 HD2 TYR 102 13.274 4.878 1.236 792 HE1 TYR 102 HE1 TYR 102 15.594 0.557 0.962 793 HE2 TYR 102 HE2 TYR 102 15.261 4.646 -0.184 794 HH TYR 102 HH TYR 102 17.192 3.274 -0.432 795 H GLN 103 H GLN 103 11.974 5.493 4.306 796 HA GLN 103 HA GLN 103 9.401 5.384 5.700 797 HB2 GLN 103 HB2 GLN 103 11.855 6.894 6.529 798 HB3 GLN 103 HB3 GLN 103 10.270 7.583 6.851 799 HG2 GLN 103 HG2 GLN 103 11.169 4.864 7.774 800 HG3 GLN 103 HG3 GLN 103 11.232 6.330 8.752 801 HE21 GLN 103 HE21 GLN 103 9.287 7.302 9.410 802 HE22 GLN 103 HE22 GLN 103 7.808 6.400 9.457 803 H LEU 104 H LEU 104 8.027 7.128 5.238 804 HA LEU 104 HA LEU 104 8.884 9.224 3.434 805 HB2 LEU 104 HB2 LEU 104 8.273 7.241 1.981 806 HB3 LEU 104 HB3 LEU 104 6.650 7.342 2.632 807 HG LEU 104 HG LEU 104 6.568 9.709 1.709 808 HD11 LEU 104 HD11 LEU 104 8.096 10.207 -0.136 809 HD12 LEU 104 HD12 LEU 104 9.004 8.738 0.223 810 HD13 LEU 104 HD13 LEU 104 8.949 10.052 1.399 811 HD21 LEU 104 HD21 LEU 104 5.391 7.842 0.680 812 HD22 LEU 104 HD22 LEU 104 6.841 7.414 -0.229 813 HD23 LEU 104 HD23 LEU 104 6.020 8.943 -0.543 814 HA PRO 105 HA PRO 105 5.623 11.094 5.870 815 HB2 PRO 105 HB2 PRO 105 5.734 13.460 4.235 816 HB3 PRO 105 HB3 PRO 105 6.412 13.215 5.845 817 HG2 PRO 105 HG2 PRO 105 7.913 13.571 3.575 818 HG3 PRO 105 HG3 PRO 105 8.486 12.737 5.031 819 HD2 PRO 105 HD2 PRO 105 7.447 11.586 2.469 820 HD3 PRO 105 HD3 PRO 105 8.794 11.036 3.490 821 H SER 106 H SER 106 3.773 12.905 5.043 822 HA SER 106 HA SER 106 1.972 11.230 3.542 823 HB2 SER 106 HB2 SER 106 1.656 13.947 4.818 824 HB3 SER 106 HB3 SER 106 0.359 13.094 3.987 825 HG SER 106 HG SER 106 1.517 12.610 6.464 826 H ALA 107 H ALA 107 4.362 12.806 2.368 827 HA ALA 107 HA ALA 107 2.904 14.105 0.180 828 HB1 ALA 107 HB1 ALA 107 4.546 15.530 1.328 829 HB2 ALA 107 HB2 ALA 107 4.973 15.261 -0.361 830 HB3 ALA 107 HB3 ALA 107 5.820 14.382 0.912 831 H LEU 108 H LEU 108 2.383 12.232 -0.968 832 HA LEU 108 HA LEU 108 4.279 10.269 -1.745 833 HB2 LEU 108 HB2 LEU 108 1.566 11.063 -2.757 834 HB3 LEU 108 HB3 LEU 108 2.527 9.888 -3.628 835 HG LEU 108 HG LEU 108 1.564 9.600 -0.778 836 HD11 LEU 108 HD11 LEU 108 -0.238 9.443 -2.396 837 HD12 LEU 108 HD12 LEU 108 0.125 7.859 -1.713 838 HD13 LEU 108 HD13 LEU 108 0.688 8.269 -3.332 839 HD21 LEU 108 HD21 LEU 108 3.020 7.651 -2.563 840 HD22 LEU 108 HD22 LEU 108 2.424 7.332 -0.935 841 HD23 LEU 108 HD23 LEU 108 3.724 8.496 -1.186 842 HA PRO 109 HA PRO 109 6.402 12.370 -5.052 843 HB2 PRO 109 HB2 PRO 109 6.495 9.726 -6.371 844 HB3 PRO 109 HB3 PRO 109 7.823 10.784 -5.886 845 HG2 PRO 109 HG2 PRO 109 7.293 8.518 -4.559 846 HG3 PRO 109 HG3 PRO 109 7.855 9.977 -3.719 847 HD2 PRO 109 HD2 PRO 109 5.094 8.839 -3.911 848 HD3 PRO 109 HD3 PRO 109 5.909 9.595 -2.526 849 HA PRO 110 HA PRO 110 3.238 13.223 -7.956 850 HB2 PRO 110 HB2 PRO 110 5.304 13.592 -10.035 851 HB3 PRO 110 HB3 PRO 110 4.150 14.756 -9.378 852 HG2 PRO 110 HG2 PRO 110 6.753 14.889 -8.776 853 HG3 PRO 110 HG3 PRO 110 5.504 15.293 -7.585 854 HD2 PRO 110 HD2 PRO 110 7.141 12.801 -7.847 855 HD3 PRO 110 HD3 PRO 110 6.651 13.681 -6.384 856 H VAL 111 H VAL 111 5.563 10.775 -8.667 857 HA VAL 111 HA VAL 111 4.205 9.915 -11.087 858 HB VAL 111 HB VAL 111 6.507 8.501 -9.752 859 HG11 VAL 111 HG11 VAL 111 6.976 7.724 -12.020 860 HG12 VAL 111 HG12 VAL 111 5.585 8.626 -12.621 861 HG13 VAL 111 HG13 VAL 111 5.347 7.275 -11.513 862 HG21 VAL 111 HG21 VAL 111 6.631 10.797 -11.707 863 HG22 VAL 111 HG22 VAL 111 8.004 9.803 -11.222 864 HG23 VAL 111 HG23 VAL 111 7.181 10.813 -10.032 865 H MET 112 H MET 112 4.538 8.928 -7.733 866 HA MET 112 HA MET 112 3.288 6.378 -8.111 867 HB2 MET 112 HB2 MET 112 3.945 8.016 -5.676 868 HB3 MET 112 HB3 MET 112 2.957 6.566 -5.551 869 HG2 MET 112 HG2 MET 112 4.789 5.278 -6.591 870 HG3 MET 112 HG3 MET 112 5.778 6.737 -6.581 871 HE1 MET 112 HE1 MET 112 4.028 3.972 -4.465 872 HE2 MET 112 HE2 MET 112 3.227 5.419 -3.848 873 HE3 MET 112 HE3 MET 112 4.325 4.507 -2.810 874 H LYS 113 H LYS 113 2.215 9.555 -6.995 875 HA LYS 113 HA LYS 113 -0.469 8.620 -6.567 876 HB2 LYS 113 HB2 LYS 113 -0.990 10.957 -6.036 877 HB3 LYS 113 HB3 LYS 113 0.396 10.367 -5.136 878 HG2 LYS 113 HG2 LYS 113 1.837 11.500 -6.881 879 HG3 LYS 113 HG3 LYS 113 0.363 12.286 -7.446 880 HD2 LYS 113 HD2 LYS 113 1.678 12.515 -4.744 881 HD3 LYS 113 HD3 LYS 113 1.381 13.793 -5.924 882 HE2 LYS 113 HE2 LYS 113 -0.985 13.669 -5.551 883 HE3 LYS 113 HE3 LYS 113 -0.794 12.249 -4.523 884 HZ1 LYS 113 HZ1 LYS 113 0.100 15.018 -3.937 885 HZ2 LYS 113 HZ2 LYS 113 0.512 13.676 -2.989 886 HZ3 LYS 113 HZ3 LYS 113 -1.111 14.138 -3.138 887 H GLN 114 H GLN 114 1.347 9.718 -9.194 888 HA GLN 114 HA GLN 114 0.896 9.680 -11.405 889 HB2 GLN 114 HB2 GLN 114 -1.754 8.531 -10.517 890 HB3 GLN 114 HB3 GLN 114 -1.109 8.484 -12.152 891 HG2 GLN 114 HG2 GLN 114 0.524 6.942 -11.611 892 HG3 GLN 114 HG3 GLN 114 0.471 7.342 -9.899 893 HE21 GLN 114 HE21 GLN 114 -1.067 6.427 -8.598 894 HE22 GLN 114 HE22 GLN 114 -2.047 5.091 -9.095 895 H GLN 115 H GLN 115 -1.036 10.327 -13.039 896 HA GLN 115 HA GLN 115 -2.631 12.539 -12.136 897 HB2 GLN 115 HB2 GLN 115 -1.620 14.184 -13.603 898 HB3 GLN 115 HB3 GLN 115 -0.406 13.552 -12.503 899 HG2 GLN 115 HG2 GLN 115 0.504 12.156 -14.240 900 HG3 GLN 115 HG3 GLN 115 -0.760 12.674 -15.354 901 HE21 GLN 115 HE21 GLN 115 -0.684 14.737 -16.226 902 HE22 GLN 115 HE22 GLN 115 0.740 15.714 -16.167 903 HA PRO 116 HA PRO 116 -5.041 11.209 -15.623 904 HB2 PRO 116 HB2 PRO 116 -6.286 13.469 -16.422 905 HB3 PRO 116 HB3 PRO 116 -6.685 12.658 -14.903 906 HG2 PRO 116 HG2 PRO 116 -4.982 15.067 -15.377 907 HG3 PRO 116 HG3 PRO 116 -6.160 14.761 -14.087 908 HD2 PRO 116 HD2 PRO 116 -3.454 14.489 -13.772 909 HD3 PRO 116 HD3 PRO 116 -4.648 13.588 -12.823 910 H VAL 117 H VAL 117 -5.232 11.295 -17.934 911 HA VAL 117 HA VAL 117 -2.761 12.305 -19.117 912 HB VAL 117 HB VAL 117 -3.130 9.995 -19.534 913 HG11 VAL 117 HG11 VAL 117 -5.518 9.834 -19.209 914 HG12 VAL 117 HG12 VAL 117 -5.095 9.160 -20.782 915 HG13 VAL 117 HG13 VAL 117 -5.806 10.769 -20.676 916 HG21 VAL 117 HG21 VAL 117 -3.179 9.911 -21.999 917 HG22 VAL 117 HG22 VAL 117 -2.111 11.163 -21.366 918 HG23 VAL 117 HG23 VAL 117 -3.693 11.598 -22.013 919 H ALA 118 H ALA 118 -2.657 13.616 -20.807 920 HA ALA 118 HA ALA 118 -5.152 14.933 -21.655 921 HB1 ALA 118 HB1 ALA 118 -2.479 16.252 -21.180 922 HB2 ALA 118 HB2 ALA 118 -3.898 16.392 -20.143 923 HB3 ALA 118 HB3 ALA 118 -3.933 17.049 -21.779 924 H ILE 119 H ILE 119 -5.474 14.197 -23.656 925 HA ILE 119 HA ILE 119 -3.269 13.667 -25.444 926 HB ILE 119 HB ILE 119 -5.242 12.230 -25.531 927 HG12 ILE 119 HG12 ILE 119 -4.951 13.871 -28.060 928 HG13 ILE 119 HG13 ILE 119 -3.894 12.549 -27.577 929 HG21 ILE 119 HG21 ILE 119 -6.737 14.690 -26.432 930 HG22 ILE 119 HG22 ILE 119 -6.944 13.847 -24.897 931 HG23 ILE 119 HG23 ILE 119 -7.382 13.049 -26.408 932 HD11 ILE 119 HD11 ILE 119 -5.748 10.988 -27.746 933 HD12 ILE 119 HD12 ILE 119 -5.507 11.853 -29.264 934 HD13 ILE 119 HD13 ILE 119 -6.830 12.309 -28.191 935 H SER 120 H SER 120 -5.580 16.210 -24.886 936 HA SER 120 HA SER 120 -4.124 17.950 -26.694 937 HB2 SER 120 HB2 SER 120 -5.886 16.980 -28.122 938 HB3 SER 120 HB3 SER 120 -7.110 17.478 -26.956 939 HG SER 120 HG SER 120 -6.858 19.549 -27.528 940 H SER 121 H SER 121 -4.132 20.049 -25.995 941 HA SER 121 HA SER 121 -5.876 20.688 -23.719 942 HB2 SER 121 HB2 SER 121 -3.505 20.333 -23.009 943 HB3 SER 121 HB3 SER 121 -3.016 21.627 -24.100 944 HG SER 121 HG SER 121 -3.804 23.087 -22.766 Start of MODEL 4 1 H1 MET 1 H1 MET 1 8.838 16.025 -14.292 2 H2 MET 1 H2 MET 1 8.943 14.403 -14.764 3 H3 MET 1 H3 MET 1 10.227 15.461 -15.090 4 HA MET 1 HA MET 1 9.305 14.684 -12.382 5 HB2 MET 1 HB2 MET 1 11.763 13.831 -13.935 6 HB3 MET 1 HB3 MET 1 11.407 13.400 -12.267 7 HG2 MET 1 HG2 MET 1 9.468 12.148 -12.959 8 HG3 MET 1 HG3 MET 1 9.705 12.648 -14.631 9 HE1 MET 1 HE1 MET 1 12.391 9.703 -12.309 10 HE2 MET 1 HE2 MET 1 10.886 10.395 -11.700 11 HE3 MET 1 HE3 MET 1 12.315 11.413 -11.887 12 H GLY 2 H GLY 2 10.873 15.376 -10.706 13 HA2 GLY 2 HA2 GLY 2 12.991 16.903 -10.665 14 HA3 GLY 2 HA3 GLY 2 11.882 18.046 -11.411 15 H HIS 3 H HIS 3 12.492 19.321 -9.462 16 HA HIS 3 HA HIS 3 11.631 18.400 -6.908 17 HB2 HIS 3 HB2 HIS 3 12.194 20.618 -6.066 18 HB3 HIS 3 HB3 HIS 3 13.475 20.002 -7.094 19 HD1 HIS 3 HD1 HIS 3 13.963 21.294 -9.285 20 HD2 HIS 3 HD2 HIS 3 10.892 22.919 -6.998 21 HE1 HIS 3 HE1 HIS 3 13.500 23.557 -10.276 22 HE2 HIS 3 HE2 HIS 3 11.523 24.447 -8.984 23 H HIS 4 H HIS 4 9.589 17.983 -6.590 24 HA HIS 4 HA HIS 4 7.695 20.211 -6.764 25 HB2 HIS 4 HB2 HIS 4 7.114 17.426 -7.820 26 HB3 HIS 4 HB3 HIS 4 5.907 18.687 -7.600 27 HD1 HIS 4 HD1 HIS 4 5.917 20.659 -9.323 28 HD2 HIS 4 HD2 HIS 4 8.725 17.680 -10.074 29 HE1 HIS 4 HE1 HIS 4 6.743 21.077 -11.659 30 HE2 HIS 4 HE2 HIS 4 8.537 19.347 -12.046 31 H HIS 5 H HIS 5 6.556 20.384 -4.913 32 HA HIS 5 HA HIS 5 7.392 18.597 -2.800 33 HB2 HIS 5 HB2 HIS 5 5.719 21.114 -2.704 34 HB3 HIS 5 HB3 HIS 5 6.240 20.200 -1.292 35 HD1 HIS 5 HD1 HIS 5 8.969 19.985 -1.061 36 HD2 HIS 5 HD2 HIS 5 7.483 23.023 -3.494 37 HE1 HIS 5 HE1 HIS 5 10.864 21.614 -1.355 38 HE2 HIS 5 HE2 HIS 5 9.969 23.410 -2.885 39 H HIS 6 H HIS 6 5.892 17.153 -4.463 40 HA HIS 6 HA HIS 6 4.449 15.418 -4.243 41 HB2 HIS 6 HB2 HIS 6 3.932 16.477 -1.458 42 HB3 HIS 6 HB3 HIS 6 3.553 14.864 -2.050 43 HD1 HIS 6 HD1 HIS 6 6.093 16.688 -0.268 44 HD2 HIS 6 HD2 HIS 6 6.040 13.424 -2.844 45 HE1 HIS 6 HE1 HIS 6 8.285 15.505 0.087 46 HE2 HIS 6 HE2 HIS 6 8.302 13.641 -1.618 47 H HIS 7 H HIS 7 3.488 18.415 -4.685 48 HA HIS 7 HA HIS 7 0.697 18.169 -3.973 49 HB2 HIS 7 HB2 HIS 7 2.282 20.354 -5.310 50 HB3 HIS 7 HB3 HIS 7 0.529 20.426 -5.148 51 HD1 HIS 7 HD1 HIS 7 3.123 21.995 -3.633 52 HD2 HIS 7 HD2 HIS 7 0.151 19.533 -2.085 53 HE1 HIS 7 HE1 HIS 7 3.002 22.534 -1.181 54 HE2 HIS 7 HE2 HIS 7 1.324 20.912 -0.237 55 H HIS 8 H HIS 8 -0.575 19.439 -6.061 56 HA HIS 8 HA HIS 8 -1.894 18.823 -7.780 57 HB2 HIS 8 HB2 HIS 8 0.761 17.860 -8.826 58 HB3 HIS 8 HB3 HIS 8 -0.721 17.665 -9.757 59 HD1 HIS 8 HD1 HIS 8 -1.630 19.705 -10.965 60 HD2 HIS 8 HD2 HIS 8 1.584 20.561 -8.457 61 HE1 HIS 8 HE1 HIS 8 -0.974 22.078 -11.480 62 HE2 HIS 8 HE2 HIS 8 0.898 22.613 -9.882 63 H SER 9 H SER 9 -2.886 17.447 -6.158 64 HA SER 9 HA SER 9 -2.354 14.609 -6.335 65 HB2 SER 9 HB2 SER 9 -4.442 16.175 -4.809 66 HB3 SER 9 HB3 SER 9 -4.190 14.433 -4.667 67 HG SER 9 HG SER 9 -2.689 16.532 -3.669 68 H HIS 10 H HIS 10 -3.406 16.240 -8.626 69 HA HIS 10 HA HIS 10 -5.852 14.850 -9.298 70 HB2 HIS 10 HB2 HIS 10 -5.554 17.086 -10.190 71 HB3 HIS 10 HB3 HIS 10 -3.996 16.652 -10.880 72 HD1 HIS 10 HD1 HIS 10 -4.072 16.228 -13.293 73 HD2 HIS 10 HD2 HIS 10 -7.723 15.406 -11.481 74 HE1 HIS 10 HE1 HIS 10 -5.628 15.573 -15.165 75 HE2 HIS 10 HE2 HIS 10 -7.852 15.146 -14.052 76 H MET 11 H MET 11 -5.130 12.709 -9.002 77 HA MET 11 HA MET 11 -2.700 11.764 -10.132 78 HB2 MET 11 HB2 MET 11 -3.322 9.599 -9.278 79 HB3 MET 11 HB3 MET 11 -3.684 10.820 -8.070 80 HG2 MET 11 HG2 MET 11 -5.728 9.629 -9.928 81 HG3 MET 11 HG3 MET 11 -5.401 9.037 -8.302 82 HE1 MET 11 HE1 MET 11 -8.291 9.909 -9.364 83 HE2 MET 11 HE2 MET 11 -8.898 10.793 -7.963 84 HE3 MET 11 HE3 MET 11 -7.995 9.294 -7.739 85 H ALA 12 H ALA 12 -2.277 10.881 -12.001 86 HA ALA 12 HA ALA 12 -4.427 9.648 -13.555 87 HB1 ALA 12 HB1 ALA 12 -2.511 11.677 -14.719 88 HB2 ALA 12 HB2 ALA 12 -4.231 11.933 -14.431 89 HB3 ALA 12 HB3 ALA 12 -3.707 10.742 -15.621 90 H GLN 13 H GLN 13 -3.702 7.620 -13.443 91 HA GLN 13 HA GLN 13 -0.904 6.988 -13.339 92 HB2 GLN 13 HB2 GLN 13 -3.339 5.212 -13.583 93 HB3 GLN 13 HB3 GLN 13 -1.702 4.633 -13.312 94 HG2 GLN 13 HG2 GLN 13 -3.161 6.492 -11.450 95 HG3 GLN 13 HG3 GLN 13 -3.134 4.739 -11.277 96 HE21 GLN 13 HE21 GLN 13 -1.313 7.676 -10.991 97 HE22 GLN 13 HE22 GLN 13 0.036 6.991 -10.149 98 H PHE 14 H PHE 14 0.337 7.000 -15.072 99 HA PHE 14 HA PHE 14 -0.837 6.238 -17.649 100 HB2 PHE 14 HB2 PHE 14 1.219 7.256 -18.648 101 HB3 PHE 14 HB3 PHE 14 0.211 8.394 -17.767 102 HD1 PHE 14 HD2 PHE 14 3.360 6.476 -17.669 103 HD2 PHE 14 HD1 PHE 14 1.039 9.555 -15.878 104 HE1 PHE 14 HE2 PHE 14 5.318 7.186 -16.361 105 HE2 PHE 14 HE1 PHE 14 2.995 10.276 -14.574 106 HZ PHE 14 HZ PHE 14 5.138 9.090 -14.812 107 HA PRO 15 HA PRO 15 1.287 2.379 -17.705 108 HB2 PRO 15 HB2 PRO 15 1.945 2.205 -20.364 109 HB3 PRO 15 HB3 PRO 15 0.340 1.861 -19.716 110 HG2 PRO 15 HG2 PRO 15 1.352 4.336 -21.042 111 HG3 PRO 15 HG3 PRO 15 -0.216 3.529 -21.214 112 HD2 PRO 15 HD2 PRO 15 0.100 5.738 -19.705 113 HD3 PRO 15 HD3 PRO 15 -1.052 4.456 -19.275 114 H THR 16 H THR 16 3.276 1.720 -17.301 115 HA THR 16 HA THR 16 5.524 3.451 -18.078 116 HB THR 16 HB THR 16 6.554 2.303 -15.951 117 HG1 THR 16 HG1 THR 16 4.977 1.758 -14.418 118 HG21 THR 16 HG21 THR 16 4.454 4.469 -15.762 119 HG22 THR 16 HG22 THR 16 6.159 4.704 -16.151 120 HG23 THR 16 HG23 THR 16 5.692 4.133 -14.549 121 HA PRO 17 HA PRO 17 7.295 -0.257 -19.817 122 HB2 PRO 17 HB2 PRO 17 9.822 0.546 -20.173 123 HB3 PRO 17 HB3 PRO 17 8.492 1.259 -21.094 124 HG2 PRO 17 HG2 PRO 17 9.968 2.353 -18.741 125 HG3 PRO 17 HG3 PRO 17 9.352 3.195 -20.174 126 HD2 PRO 17 HD2 PRO 17 8.100 3.108 -17.688 127 HD3 PRO 17 HD3 PRO 17 7.317 3.532 -19.222 128 H PHE 18 H PHE 18 9.654 -1.418 -19.509 129 HA PHE 18 HA PHE 18 10.108 -1.680 -16.625 130 HB2 PHE 18 HB2 PHE 18 10.450 -4.162 -17.016 131 HB3 PHE 18 HB3 PHE 18 8.793 -3.588 -17.109 132 HD1 PHE 18 HD1 PHE 18 7.741 -3.285 -19.375 133 HD2 PHE 18 HD2 PHE 18 11.465 -5.275 -18.821 134 HE1 PHE 18 HE1 PHE 18 7.494 -4.352 -21.577 135 HE2 PHE 18 HE2 PHE 18 11.224 -6.339 -21.025 136 HZ PHE 18 HZ PHE 18 9.239 -5.880 -22.405 137 H GLY 19 H GLY 19 12.063 -0.920 -16.286 138 HA2 GLY 19 HA2 GLY 19 14.432 -2.006 -16.771 139 HA3 GLY 19 HA3 GLY 19 14.133 -1.218 -18.315 140 H GLY 20 H GLY 20 14.870 -0.773 -14.953 141 HA2 GLY 20 HA2 GLY 20 16.171 1.700 -15.426 142 HA3 GLY 20 HA3 GLY 20 14.591 1.990 -14.711 143 H SER 21 H SER 21 17.653 1.966 -13.870 144 HA SER 21 HA SER 21 17.357 0.321 -11.477 145 HB2 SER 21 HB2 SER 21 19.813 1.728 -12.526 146 HB3 SER 21 HB3 SER 21 19.763 0.567 -11.199 147 HG SER 21 HG SER 21 18.626 -0.702 -13.108 148 H LEU 22 H LEU 22 16.919 3.477 -12.387 149 HA LEU 22 HA LEU 22 17.331 4.425 -9.629 150 HB2 LEU 22 HB2 LEU 22 17.185 5.923 -12.234 151 HB3 LEU 22 HB3 LEU 22 17.043 6.723 -10.682 152 HG LEU 22 HG LEU 22 19.443 5.145 -11.621 153 HD11 LEU 22 HD11 LEU 22 19.048 8.116 -11.281 154 HD12 LEU 22 HD12 LEU 22 19.170 7.259 -12.817 155 HD13 LEU 22 HD13 LEU 22 20.555 7.314 -11.725 156 HD21 LEU 22 HD21 LEU 22 19.127 5.034 -9.196 157 HD22 LEU 22 HD22 LEU 22 19.027 6.794 -9.129 158 HD23 LEU 22 HD23 LEU 22 20.531 6.015 -9.619 159 H ASP 23 H ASP 23 15.016 3.289 -11.665 160 HA ASP 23 HA ASP 23 12.866 5.048 -10.885 161 HB2 ASP 23 HB2 ASP 23 12.844 2.437 -12.414 162 HB3 ASP 23 HB3 ASP 23 11.430 3.450 -12.143 163 H THR 24 H THR 24 13.542 4.580 -8.580 164 HA THR 24 HA THR 24 12.707 2.058 -7.465 165 HB THR 24 HB THR 24 13.462 4.592 -5.998 166 HG1 THR 24 HG1 THR 24 15.032 2.541 -7.166 167 HG21 THR 24 HG21 THR 24 12.363 2.890 -4.616 168 HG22 THR 24 HG22 THR 24 14.063 3.063 -4.184 169 HG23 THR 24 HG23 THR 24 13.541 1.691 -5.160 170 H TRP 25 H TRP 25 11.584 5.438 -7.315 171 HA TRP 25 HA TRP 25 9.213 4.713 -5.849 172 HB2 TRP 25 HB2 TRP 25 10.079 7.294 -7.155 173 HB3 TRP 25 HB3 TRP 25 8.569 7.109 -6.270 174 HD1 TRP 25 HD1 TRP 25 12.079 8.070 -5.761 175 HE1 TRP 25 HE1 TRP 25 12.642 8.187 -3.253 176 HE3 TRP 25 HE3 TRP 25 7.967 5.681 -3.915 177 HZ2 TRP 25 HZ2 TRP 25 11.479 7.359 -0.807 178 HZ3 TRP 25 HZ3 TRP 25 7.765 5.377 -1.486 179 HH2 TRP 25 HH2 TRP 25 9.482 6.196 0.035 180 H ALA 26 H ALA 26 10.123 4.920 -9.144 181 HA ALA 26 HA ALA 26 7.585 5.391 -10.297 182 HB1 ALA 26 HB1 ALA 26 9.689 5.686 -11.526 183 HB2 ALA 26 HB2 ALA 26 8.573 4.615 -12.373 184 HB3 ALA 26 HB3 ALA 26 9.944 3.941 -11.492 185 H ILE 27 H ILE 27 5.938 4.071 -10.757 186 HA ILE 27 HA ILE 27 5.950 1.421 -9.631 187 HB ILE 27 HB ILE 27 3.775 2.824 -11.192 188 HG12 ILE 27 HG12 ILE 27 4.108 2.524 -8.196 189 HG13 ILE 27 HG13 ILE 27 4.452 3.993 -9.097 190 HG21 ILE 27 HG21 ILE 27 3.488 0.413 -11.195 191 HG22 ILE 27 HG22 ILE 27 2.280 1.165 -10.155 192 HG23 ILE 27 HG23 ILE 27 3.682 0.365 -9.444 193 HD11 ILE 27 HD11 ILE 27 2.274 4.068 -7.985 194 HD12 ILE 27 HD12 ILE 27 1.763 2.660 -8.916 195 HD13 ILE 27 HD13 ILE 27 2.125 4.176 -9.740 196 H THR 28 H THR 28 7.212 0.084 -10.790 197 HA THR 28 HA THR 28 7.285 -0.021 -13.626 198 HB THR 28 HB THR 28 8.054 -2.347 -11.887 199 HG1 THR 28 HG1 THR 28 9.664 -0.017 -12.193 200 HG21 THR 28 HG21 THR 28 9.378 -1.029 -14.267 201 HG22 THR 28 HG22 THR 28 8.394 -2.491 -14.322 202 HG23 THR 28 HG23 THR 28 9.929 -2.494 -13.453 203 H VAL 29 H VAL 29 6.719 -2.066 -14.836 204 HA VAL 29 HA VAL 29 4.029 -2.593 -14.874 205 HB VAL 29 HB VAL 29 6.192 -4.519 -15.747 206 HG11 VAL 29 HG11 VAL 29 4.528 -5.325 -17.349 207 HG12 VAL 29 HG12 VAL 29 3.335 -4.221 -16.667 208 HG13 VAL 29 HG13 VAL 29 3.976 -5.539 -15.687 209 HG21 VAL 29 HG21 VAL 29 5.972 -3.445 -17.952 210 HG22 VAL 29 HG22 VAL 29 6.571 -2.335 -16.720 211 HG23 VAL 29 HG23 VAL 29 4.889 -2.248 -17.243 212 H GLU 30 H GLU 30 6.552 -4.445 -13.199 213 HA GLU 30 HA GLU 30 4.935 -6.525 -12.261 214 HB2 GLU 30 HB2 GLU 30 7.448 -5.337 -11.075 215 HB3 GLU 30 HB3 GLU 30 6.751 -6.879 -10.629 216 HG2 GLU 30 HG2 GLU 30 7.082 -7.694 -12.908 217 HG3 GLU 30 HG3 GLU 30 7.810 -6.149 -13.338 218 H GLU 31 H GLU 31 5.834 -3.431 -10.801 219 HA GLU 31 HA GLU 31 4.462 -3.831 -8.357 220 HB2 GLU 31 HB2 GLU 31 5.200 -1.244 -9.739 221 HB3 GLU 31 HB3 GLU 31 4.723 -1.404 -8.055 222 HG2 GLU 31 HG2 GLU 31 7.123 -2.787 -9.218 223 HG3 GLU 31 HG3 GLU 31 7.185 -1.181 -8.499 224 H ARG 32 H ARG 32 3.524 -2.604 -11.492 225 HA ARG 32 HA ARG 32 0.981 -1.591 -10.757 226 HB2 ARG 32 HB2 ARG 32 2.144 -1.053 -12.886 227 HB3 ARG 32 HB3 ARG 32 1.893 -2.705 -13.423 228 HG2 ARG 32 HG2 ARG 32 0.231 -1.387 -14.461 229 HG3 ARG 32 HG3 ARG 32 -0.572 -2.305 -13.187 230 HD2 ARG 32 HD2 ARG 32 -1.441 -0.152 -12.966 231 HD3 ARG 32 HD3 ARG 32 -0.200 -0.243 -11.718 232 HE ARG 32 HE ARG 32 0.722 0.854 -14.226 233 HH11 ARG 32 HH11 ARG 32 -0.765 1.555 -11.145 234 HH12 ARG 32 HH12 ARG 32 -0.343 3.241 -11.161 235 HH21 ARG 32 HH21 ARG 32 1.288 3.087 -14.274 236 HH22 ARG 32 HH22 ARG 32 0.830 4.114 -12.953 237 H ALA 33 H ALA 33 2.065 -4.714 -12.036 238 HA ALA 33 HA ALA 33 -0.579 -5.825 -12.112 239 HB1 ALA 33 HB1 ALA 33 1.173 -6.481 -13.701 240 HB2 ALA 33 HB2 ALA 33 0.497 -7.866 -12.844 241 HB3 ALA 33 HB3 ALA 33 2.075 -7.227 -12.382 242 H LYS 34 H LYS 34 1.932 -5.686 -9.734 243 HA LYS 34 HA LYS 34 1.478 -8.046 -8.332 244 HB2 LYS 34 HB2 LYS 34 2.727 -7.127 -6.570 245 HB3 LYS 34 HB3 LYS 34 3.354 -6.346 -8.013 246 HG2 LYS 34 HG2 LYS 34 1.866 -4.403 -7.514 247 HG3 LYS 34 HG3 LYS 34 1.469 -5.179 -5.980 248 HD2 LYS 34 HD2 LYS 34 4.198 -4.294 -6.905 249 HD3 LYS 34 HD3 LYS 34 3.213 -3.538 -5.653 250 HE2 LYS 34 HE2 LYS 34 3.386 -5.525 -4.277 251 HE3 LYS 34 HE3 LYS 34 4.290 -6.349 -5.549 252 HZ1 LYS 34 HZ1 LYS 34 5.994 -4.581 -5.333 253 HZ2 LYS 34 HZ2 LYS 34 5.826 -5.549 -3.946 254 HZ3 LYS 34 HZ3 LYS 34 5.161 -3.992 -3.976 255 H HIS 35 H HIS 35 -0.412 -5.137 -8.414 256 HA HIS 35 HA HIS 35 -1.648 -5.314 -5.909 257 HB2 HIS 35 HB2 HIS 35 -3.089 -3.652 -6.611 258 HB3 HIS 35 HB3 HIS 35 -1.724 -3.400 -7.680 259 HD1 HIS 35 HD1 HIS 35 -2.113 -3.831 -10.212 260 HD2 HIS 35 HD2 HIS 35 -5.463 -4.478 -7.828 261 HE1 HIS 35 HE1 HIS 35 -4.060 -3.994 -11.797 262 HE2 HIS 35 HE2 HIS 35 -6.096 -4.174 -10.315 263 H ASP 36 H ASP 36 -2.319 -6.892 -8.937 264 HA ASP 36 HA ASP 36 -4.881 -7.903 -8.283 265 HB2 ASP 36 HB2 ASP 36 -4.169 -7.788 -10.595 266 HB3 ASP 36 HB3 ASP 36 -2.818 -8.867 -10.269 267 H GLN 37 H GLN 37 -1.646 -9.352 -8.186 268 HA GLN 37 HA GLN 37 -2.457 -11.881 -7.248 269 HB2 GLN 37 HB2 GLN 37 -0.233 -11.298 -8.302 270 HB3 GLN 37 HB3 GLN 37 0.224 -10.570 -6.769 271 HG2 GLN 37 HG2 GLN 37 -0.122 -12.750 -5.670 272 HG3 GLN 37 HG3 GLN 37 -0.460 -13.459 -7.248 273 HE21 GLN 37 HE21 GLN 37 1.965 -12.237 -5.113 274 HE22 GLN 37 HE22 GLN 37 3.333 -12.718 -6.060 275 H GLN 38 H GLN 38 -1.271 -8.995 -5.558 276 HA GLN 38 HA GLN 38 -1.234 -10.183 -2.981 277 HB2 GLN 38 HB2 GLN 38 -0.855 -7.507 -4.108 278 HB3 GLN 38 HB3 GLN 38 -1.571 -7.494 -2.506 279 HG2 GLN 38 HG2 GLN 38 0.698 -7.327 -2.093 280 HG3 GLN 38 HG3 GLN 38 0.356 -9.031 -1.827 281 HE21 GLN 38 HE21 GLN 38 0.254 -9.689 -4.656 282 HE22 GLN 38 HE22 GLN 38 1.883 -9.629 -5.226 283 H PHE 39 H PHE 39 -3.635 -8.282 -4.736 284 HA PHE 39 HA PHE 39 -5.511 -7.945 -2.669 285 HB2 PHE 39 HB2 PHE 39 -5.380 -6.870 -5.021 286 HB3 PHE 39 HB3 PHE 39 -6.240 -8.299 -5.572 287 HD1 PHE 39 HD1 PHE 39 -8.529 -8.775 -4.587 288 HD2 PHE 39 HD2 PHE 39 -6.497 -5.076 -4.070 289 HE1 PHE 39 HE1 PHE 39 -10.657 -7.688 -4.018 290 HE2 PHE 39 HE2 PHE 39 -8.623 -3.983 -3.491 291 HZ PHE 39 HZ PHE 39 -10.707 -5.287 -3.469 292 H HIS 40 H HIS 40 -5.036 -10.484 -5.052 293 HA HIS 40 HA HIS 40 -7.412 -11.921 -4.523 294 HB2 HIS 40 HB2 HIS 40 -5.871 -12.037 -6.574 295 HB3 HIS 40 HB3 HIS 40 -4.857 -13.103 -5.611 296 HD1 HIS 40 HD1 HIS 40 -7.588 -13.141 -7.930 297 HD2 HIS 40 HD2 HIS 40 -6.405 -15.505 -4.720 298 HE1 HIS 40 HE1 HIS 40 -8.788 -15.334 -8.227 299 HE2 HIS 40 HE2 HIS 40 -8.037 -16.768 -6.287 300 H SER 41 H SER 41 -4.135 -12.113 -3.263 301 HA SER 41 HA SER 41 -4.549 -14.537 -1.805 302 HB2 SER 41 HB2 SER 41 -2.336 -13.876 -2.634 303 HB3 SER 41 HB3 SER 41 -2.361 -12.451 -1.600 304 HG SER 41 HG SER 41 -2.825 -14.624 -0.104 305 H LEU 42 H LEU 42 -5.311 -11.273 -1.210 306 HA LEU 42 HA LEU 42 -4.953 -11.303 1.644 307 HB2 LEU 42 HB2 LEU 42 -4.876 -9.335 -0.068 308 HB3 LEU 42 HB3 LEU 42 -6.614 -9.310 0.140 309 HG LEU 42 HG LEU 42 -4.906 -9.175 2.585 310 HD11 LEU 42 HD11 LEU 42 -3.848 -7.597 1.060 311 HD12 LEU 42 HD12 LEU 42 -4.723 -6.748 2.334 312 HD13 LEU 42 HD13 LEU 42 -5.415 -6.863 0.716 313 HD21 LEU 42 HD21 LEU 42 -7.493 -7.869 1.751 314 HD22 LEU 42 HD22 LEU 42 -6.712 -7.693 3.323 315 HD23 LEU 42 HD23 LEU 42 -7.325 -9.267 2.815 316 H LYS 43 H LYS 43 -7.148 -12.794 -0.254 317 HA LYS 43 HA LYS 43 -9.221 -13.667 -0.029 318 HB2 LYS 43 HB2 LYS 43 -8.896 -12.878 2.874 319 HB3 LYS 43 HB3 LYS 43 -10.259 -13.795 2.254 320 HG2 LYS 43 HG2 LYS 43 -8.932 -15.466 3.075 321 HG3 LYS 43 HG3 LYS 43 -8.406 -15.420 1.393 322 HD2 LYS 43 HD2 LYS 43 -6.500 -14.009 2.044 323 HD3 LYS 43 HD3 LYS 43 -7.029 -14.090 3.727 324 HE2 LYS 43 HE2 LYS 43 -5.275 -15.685 3.407 325 HE3 LYS 43 HE3 LYS 43 -6.791 -16.557 3.622 326 HZ1 LYS 43 HZ1 LYS 43 -5.292 -16.111 1.109 327 HZ2 LYS 43 HZ2 LYS 43 -6.897 -16.656 1.124 328 HZ3 LYS 43 HZ3 LYS 43 -5.679 -17.590 1.843 329 HA PRO 44 HA PRO 44 -11.045 -9.447 -0.342 330 HB2 PRO 44 HB2 PRO 44 -11.694 -9.548 -2.947 331 HB3 PRO 44 HB3 PRO 44 -10.060 -9.137 -2.408 332 HG2 PRO 44 HG2 PRO 44 -11.116 -11.735 -3.445 333 HG3 PRO 44 HG3 PRO 44 -9.578 -10.928 -3.801 334 HD2 PRO 44 HD2 PRO 44 -9.844 -12.985 -2.005 335 HD3 PRO 44 HD3 PRO 44 -8.572 -11.752 -1.914 336 H ILE 45 H ILE 45 -13.225 -8.877 -0.522 337 HA ILE 45 HA ILE 45 -15.109 -11.122 -0.886 338 HB ILE 45 HB ILE 45 -15.459 -8.676 0.866 339 HG12 ILE 45 HG12 ILE 45 -15.102 -11.586 1.616 340 HG13 ILE 45 HG13 ILE 45 -13.869 -10.341 1.774 341 HG21 ILE 45 HG21 ILE 45 -17.281 -11.038 0.414 342 HG22 ILE 45 HG22 ILE 45 -17.570 -9.377 -0.103 343 HG23 ILE 45 HG23 ILE 45 -17.531 -9.771 1.615 344 HD11 ILE 45 HD11 ILE 45 -14.905 -10.805 3.908 345 HD12 ILE 45 HD12 ILE 45 -16.495 -10.433 3.241 346 HD13 ILE 45 HD13 ILE 45 -15.281 -9.162 3.388 347 H SER 46 H SER 46 -16.254 -10.936 -2.674 348 HA SER 46 HA SER 46 -17.367 -10.085 -4.467 349 HB2 SER 46 HB2 SER 46 -17.551 -7.523 -2.857 350 HB3 SER 46 HB3 SER 46 -18.568 -7.988 -4.221 351 HG SER 46 HG SER 46 -18.946 -8.504 -1.656 352 H GLY 47 H GLY 47 -14.452 -9.842 -4.215 353 HA2 GLY 47 HA2 GLY 47 -12.688 -8.926 -5.377 354 HA3 GLY 47 HA3 GLY 47 -13.876 -8.178 -6.435 355 H PHE 48 H PHE 48 -13.598 -7.707 -2.962 356 HA PHE 48 HA PHE 48 -12.478 -5.050 -3.300 357 HB2 PHE 48 HB2 PHE 48 -14.881 -4.729 -3.679 358 HB3 PHE 48 HB3 PHE 48 -15.241 -5.531 -2.158 359 HD1 PHE 48 HD2 PHE 48 -12.898 -2.792 -3.169 360 HD2 PHE 48 HD1 PHE 48 -16.046 -4.080 -0.614 361 HE1 PHE 48 HE2 PHE 48 -12.838 -0.621 -2.007 362 HE2 PHE 48 HE1 PHE 48 -15.999 -1.918 0.547 363 HZ PHE 48 HZ PHE 48 -14.392 -0.183 -0.147 364 H ILE 49 H ILE 49 -11.552 -4.251 -1.434 365 HA ILE 49 HA ILE 49 -11.547 -6.036 0.904 366 HB ILE 49 HB ILE 49 -9.299 -4.944 1.420 367 HG12 ILE 49 HG12 ILE 49 -8.070 -4.253 -0.737 368 HG13 ILE 49 HG13 ILE 49 -9.670 -4.029 -1.428 369 HG21 ILE 49 HG21 ILE 49 -9.519 -6.713 -1.010 370 HG22 ILE 49 HG22 ILE 49 -9.498 -7.244 0.672 371 HG23 ILE 49 HG23 ILE 49 -8.070 -6.487 -0.031 372 HD11 ILE 49 HD11 ILE 49 -8.555 -2.584 0.964 373 HD12 ILE 49 HD12 ILE 49 -10.173 -2.368 0.294 374 HD13 ILE 49 HD13 ILE 49 -8.758 -1.928 -0.661 375 H THR 50 H THR 50 -10.486 -4.443 2.820 376 HA THR 50 HA THR 50 -11.749 -1.841 2.730 377 HB THR 50 HB THR 50 -12.497 -3.493 5.120 378 HG1 THR 50 HG1 THR 50 -13.523 -3.748 2.505 379 HG21 THR 50 HG21 THR 50 -12.973 -1.089 5.086 380 HG22 THR 50 HG22 THR 50 -14.470 -2.024 5.069 381 HG23 THR 50 HG23 THR 50 -13.875 -1.282 3.584 382 H GLY 51 H GLY 51 -11.448 -0.910 5.191 383 HA2 GLY 51 HA2 GLY 51 -8.718 -0.372 5.301 384 HA3 GLY 51 HA3 GLY 51 -9.877 0.028 6.555 385 H ASP 52 H ASP 52 -10.625 -2.505 7.428 386 HA ASP 52 HA ASP 52 -8.552 -3.077 9.224 387 HB2 ASP 52 HB2 ASP 52 -10.987 -4.684 8.439 388 HB3 ASP 52 HB3 ASP 52 -9.896 -5.151 9.732 389 H GLN 53 H GLN 53 -9.584 -4.701 6.261 390 HA GLN 53 HA GLN 53 -7.756 -6.845 6.409 391 HB2 GLN 53 HB2 GLN 53 -9.158 -5.589 4.049 392 HB3 GLN 53 HB3 GLN 53 -8.188 -7.052 3.936 393 HG2 GLN 53 HG2 GLN 53 -10.714 -6.664 5.523 394 HG3 GLN 53 HG3 GLN 53 -10.496 -7.658 4.081 395 HE21 GLN 53 HE21 GLN 53 -9.376 -9.608 4.247 396 HE22 GLN 53 HE22 GLN 53 -9.099 -10.375 5.773 397 H ALA 54 H ALA 54 -7.520 -3.623 4.992 398 HA ALA 54 HA ALA 54 -5.087 -3.940 3.646 399 HB1 ALA 54 HB1 ALA 54 -6.161 -1.464 4.993 400 HB2 ALA 54 HB2 ALA 54 -6.542 -1.994 3.354 401 HB3 ALA 54 HB3 ALA 54 -4.896 -1.512 3.766 402 H ARG 55 H ARG 55 -5.737 -2.769 6.934 403 HA ARG 55 HA ARG 55 -3.083 -2.337 7.732 404 HB2 ARG 55 HB2 ARG 55 -5.333 -3.265 9.516 405 HB3 ARG 55 HB3 ARG 55 -3.911 -2.350 9.991 406 HG2 ARG 55 HG2 ARG 55 -4.697 -0.440 8.723 407 HG3 ARG 55 HG3 ARG 55 -6.109 -1.363 8.197 408 HD2 ARG 55 HD2 ARG 55 -6.692 0.064 10.052 409 HD3 ARG 55 HD3 ARG 55 -6.790 -1.622 10.536 410 HE ARG 55 HE ARG 55 -4.742 -1.358 11.750 411 HH11 ARG 55 HH11 ARG 55 -6.217 1.605 10.629 412 HH12 ARG 55 HH12 ARG 55 -5.312 2.629 11.703 413 HH21 ARG 55 HH21 ARG 55 -3.528 -0.034 13.162 414 HH22 ARG 55 HH22 ARG 55 -3.783 1.688 13.170 415 H ASN 56 H ASN 56 -5.209 -5.098 8.204 416 HA ASN 56 HA ASN 56 -3.561 -6.780 9.650 417 HB2 ASN 56 HB2 ASN 56 -5.985 -7.144 9.060 418 HB3 ASN 56 HB3 ASN 56 -5.454 -7.680 7.471 419 HD21 ASN 56 HD21 ASN 56 -6.229 -9.734 7.690 420 HD22 ASN 56 HD22 ASN 56 -5.536 -10.895 8.765 421 H PHE 57 H PHE 57 -3.752 -6.496 6.104 422 HA PHE 57 HA PHE 57 -1.857 -8.500 5.531 423 HB2 PHE 57 HB2 PHE 57 -3.377 -7.542 3.838 424 HB3 PHE 57 HB3 PHE 57 -2.498 -6.018 3.924 425 HD1 PHE 57 HD1 PHE 57 -0.259 -5.822 3.033 426 HD2 PHE 57 HD2 PHE 57 -2.455 -9.447 2.695 427 HE1 PHE 57 HE1 PHE 57 1.325 -6.618 1.351 428 HE2 PHE 57 HE2 PHE 57 -0.867 -10.254 0.999 429 HZ PHE 57 HZ PHE 57 1.032 -8.840 0.321 430 H PHE 58 H PHE 58 -1.477 -4.984 5.879 431 HA PHE 58 HA PHE 58 1.293 -4.898 5.466 432 HB2 PHE 58 HB2 PHE 58 -0.325 -3.062 7.247 433 HB3 PHE 58 HB3 PHE 58 1.240 -2.711 6.525 434 HD1 PHE 58 HD2 PHE 58 0.335 -4.077 3.800 435 HD2 PHE 58 HD1 PHE 58 -1.254 -1.036 6.313 436 HE1 PHE 58 HE2 PHE 58 -0.796 -3.067 1.859 437 HE2 PHE 58 HE1 PHE 58 -2.385 -0.020 4.381 438 HZ PHE 58 HZ PHE 58 -2.159 -1.035 2.150 439 H PHE 59 H PHE 59 -0.623 -5.551 8.334 440 HA PHE 59 HA PHE 59 1.460 -5.503 10.238 441 HB2 PHE 59 HB2 PHE 59 -0.971 -5.481 10.787 442 HB3 PHE 59 HB3 PHE 59 -1.074 -7.163 10.283 443 HD1 PHE 59 HD1 PHE 59 0.752 -4.957 12.664 444 HD2 PHE 59 HD2 PHE 59 -0.812 -8.830 11.854 445 HE1 PHE 59 HE1 PHE 59 1.323 -5.667 14.952 446 HE2 PHE 59 HE2 PHE 59 -0.241 -9.545 14.135 447 HZ PHE 59 HZ PHE 59 0.828 -7.963 15.688 448 H GLN 60 H GLN 60 0.229 -8.026 8.106 449 HA GLN 60 HA GLN 60 1.944 -10.078 9.146 450 HB2 GLN 60 HB2 GLN 60 0.037 -9.838 6.907 451 HB3 GLN 60 HB3 GLN 60 1.353 -10.975 6.652 452 HG2 GLN 60 HG2 GLN 60 -0.391 -12.243 7.548 453 HG3 GLN 60 HG3 GLN 60 0.720 -11.986 8.890 454 HE21 GLN 60 HE21 GLN 60 0.106 -10.589 10.578 455 HE22 GLN 60 HE22 GLN 60 -1.544 -10.127 10.803 456 H SER 61 H SER 61 2.649 -7.352 7.402 457 HA SER 61 HA SER 61 4.742 -8.564 5.785 458 HB2 SER 61 HB2 SER 61 4.003 -5.649 6.113 459 HB3 SER 61 HB3 SER 61 5.073 -6.328 4.889 460 HG SER 61 HG SER 61 2.352 -7.088 5.189 461 H GLY 62 H GLY 62 4.405 -7.556 8.929 462 HA2 GLY 62 HA2 GLY 62 6.106 -7.813 10.541 463 HA3 GLY 62 HA3 GLY 62 7.304 -7.622 9.271 464 H LEU 63 H LEU 63 4.759 -5.333 9.302 465 HA LEU 63 HA LEU 63 6.619 -3.329 10.382 466 HB2 LEU 63 HB2 LEU 63 4.330 -3.089 8.433 467 HB3 LEU 63 HB3 LEU 63 5.127 -1.702 9.147 468 HG LEU 63 HG LEU 63 6.576 -3.770 7.481 469 HD11 LEU 63 HD11 LEU 63 6.518 -2.120 5.684 470 HD12 LEU 63 HD12 LEU 63 5.484 -1.083 6.667 471 HD13 LEU 63 HD13 LEU 63 4.894 -2.653 6.122 472 HD21 LEU 63 HD21 LEU 63 8.009 -2.544 9.005 473 HD22 LEU 63 HD22 LEU 63 7.332 -1.016 8.447 474 HD23 LEU 63 HD23 LEU 63 8.286 -2.010 7.347 475 HA PRO 64 HA PRO 64 3.848 -2.732 13.784 476 HB2 PRO 64 HB2 PRO 64 4.724 -0.350 14.688 477 HB3 PRO 64 HB3 PRO 64 5.679 -1.829 14.840 478 HG2 PRO 64 HG2 PRO 64 5.929 0.396 12.866 479 HG3 PRO 64 HG3 PRO 64 7.201 -0.514 13.699 480 HD2 PRO 64 HD2 PRO 64 6.407 -0.993 11.114 481 HD3 PRO 64 HD3 PRO 64 7.160 -2.206 12.165 482 H GLN 65 H GLN 65 2.235 -1.262 14.678 483 HA GLN 65 HA GLN 65 0.273 -0.612 12.876 484 HB2 GLN 65 HB2 GLN 65 0.699 0.541 15.630 485 HB3 GLN 65 HB3 GLN 65 -0.785 0.710 14.705 486 HG2 GLN 65 HG2 GLN 65 0.410 -1.917 15.542 487 HG3 GLN 65 HG3 GLN 65 -0.864 -1.071 16.413 488 HE21 GLN 65 HE21 GLN 65 -0.917 -3.697 15.214 489 HE22 GLN 65 HE22 GLN 65 -2.196 -3.688 14.054 490 HA PRO 66 HA PRO 66 1.427 4.184 13.197 491 HB2 PRO 66 HB2 PRO 66 4.369 3.826 13.498 492 HB3 PRO 66 HB3 PRO 66 3.315 5.084 14.153 493 HG2 PRO 66 HG2 PRO 66 4.234 3.156 15.730 494 HG3 PRO 66 HG3 PRO 66 2.567 3.742 15.893 495 HD2 PRO 66 HD2 PRO 66 3.578 1.223 14.641 496 HD3 PRO 66 HD3 PRO 66 2.113 1.498 15.606 497 H VAL 67 H VAL 67 3.708 1.812 11.942 498 HA VAL 67 HA VAL 67 4.338 3.262 9.562 499 HB VAL 67 HB VAL 67 4.763 0.383 10.367 500 HG11 VAL 67 HG11 VAL 67 5.749 1.787 7.893 501 HG12 VAL 67 HG12 VAL 67 4.563 0.483 7.948 502 HG13 VAL 67 HG13 VAL 67 6.234 0.180 8.428 503 HG21 VAL 67 HG21 VAL 67 6.080 1.987 11.615 504 HG22 VAL 67 HG22 VAL 67 6.634 2.735 10.117 505 HG23 VAL 67 HG23 VAL 67 7.119 1.086 10.511 506 H LEU 68 H LEU 68 2.092 0.689 10.423 507 HA LEU 68 HA LEU 68 1.157 0.057 7.847 508 HB2 LEU 68 HB2 LEU 68 -0.498 -0.001 10.368 509 HB3 LEU 68 HB3 LEU 68 -0.706 -0.982 8.934 510 HG LEU 68 HG LEU 68 1.487 -1.192 10.987 511 HD11 LEU 68 HD11 LEU 68 -0.654 -3.127 10.126 512 HD12 LEU 68 HD12 LEU 68 -0.653 -2.183 11.615 513 HD13 LEU 68 HD13 LEU 68 0.580 -3.417 11.354 514 HD21 LEU 68 HD21 LEU 68 2.392 -3.020 9.670 515 HD22 LEU 68 HD22 LEU 68 2.416 -1.516 8.750 516 HD23 LEU 68 HD23 LEU 68 1.184 -2.733 8.416 517 H ALA 69 H ALA 69 -0.238 2.141 10.335 518 HA ALA 69 HA ALA 69 -2.374 3.155 8.868 519 HB1 ALA 69 HB1 ALA 69 -2.152 3.403 11.291 520 HB2 ALA 69 HB2 ALA 69 -2.422 4.963 10.510 521 HB3 ALA 69 HB3 ALA 69 -0.805 4.517 11.056 522 H GLN 70 H GLN 70 0.982 4.277 9.081 523 HA GLN 70 HA GLN 70 0.591 6.658 7.647 524 HB2 GLN 70 HB2 GLN 70 2.504 6.169 9.143 525 HB3 GLN 70 HB3 GLN 70 3.100 5.012 7.962 526 HG2 GLN 70 HG2 GLN 70 4.297 7.065 7.789 527 HG3 GLN 70 HG3 GLN 70 3.335 6.814 6.337 528 HE21 GLN 70 HE21 GLN 70 1.548 8.150 5.955 529 HE22 GLN 70 HE22 GLN 70 1.325 9.645 6.797 530 H ILE 71 H ILE 71 1.267 3.342 6.642 531 HA ILE 71 HA ILE 71 1.777 3.991 3.903 532 HB ILE 71 HB ILE 71 0.998 1.415 5.266 533 HG12 ILE 71 HG12 ILE 71 3.492 2.210 3.755 534 HG13 ILE 71 HG13 ILE 71 3.321 2.290 5.502 535 HG21 ILE 71 HG21 ILE 71 -0.047 1.406 3.061 536 HG22 ILE 71 HG22 ILE 71 1.296 0.264 3.125 537 HG23 ILE 71 HG23 ILE 71 1.499 1.820 2.320 538 HD11 ILE 71 HD11 ILE 71 3.188 -0.194 3.815 539 HD12 ILE 71 HD12 ILE 71 2.966 -0.135 5.563 540 HD13 ILE 71 HD13 ILE 71 4.523 0.298 4.858 541 H TRP 72 H TRP 72 -1.058 2.865 5.694 542 HA TRP 72 HA TRP 72 -2.864 2.761 3.569 543 HB2 TRP 72 HB2 TRP 72 -3.416 1.769 5.696 544 HB3 TRP 72 HB3 TRP 72 -3.295 3.325 6.507 545 HD1 TRP 72 HD1 TRP 72 -5.277 2.832 3.241 546 HE1 TRP 72 HE1 TRP 72 -7.755 3.318 3.720 547 HE3 TRP 72 HE3 TRP 72 -5.019 3.394 8.315 548 HZ2 TRP 72 HZ2 TRP 72 -9.393 3.840 5.963 549 HZ3 TRP 72 HZ3 TRP 72 -7.090 3.871 9.554 550 HH2 TRP 72 HH2 TRP 72 -9.229 4.093 8.400 551 H ALA 73 H ALA 73 -2.355 5.391 5.927 552 HA ALA 73 HA ALA 73 -4.227 7.144 4.751 553 HB1 ALA 73 HB1 ALA 73 -3.315 8.825 6.251 554 HB2 ALA 73 HB2 ALA 73 -1.919 7.795 6.577 555 HB3 ALA 73 HB3 ALA 73 -3.528 7.286 7.088 556 H LEU 74 H LEU 74 -1.092 6.313 3.796 557 HA LEU 74 HA LEU 74 -0.572 8.772 2.352 558 HB2 LEU 74 HB2 LEU 74 0.912 6.366 3.060 559 HB3 LEU 74 HB3 LEU 74 1.169 6.845 1.394 560 HG LEU 74 HG LEU 74 1.609 8.650 3.779 561 HD11 LEU 74 HD11 LEU 74 3.585 7.158 2.054 562 HD12 LEU 74 HD12 LEU 74 3.198 6.793 3.735 563 HD13 LEU 74 HD13 LEU 74 3.984 8.317 3.322 564 HD21 LEU 74 HD21 LEU 74 2.296 8.970 0.858 565 HD22 LEU 74 HD22 LEU 74 2.700 10.098 2.152 566 HD23 LEU 74 HD23 LEU 74 1.014 9.825 1.715 567 H ALA 75 H ALA 75 -1.683 5.499 1.735 568 HA ALA 75 HA ALA 75 -1.352 5.534 -1.067 569 HB1 ALA 75 HB1 ALA 75 -1.539 3.479 0.239 570 HB2 ALA 75 HB2 ALA 75 -2.720 3.533 -1.072 571 HB3 ALA 75 HB3 ALA 75 -3.224 3.857 0.588 572 H ASP 76 H ASP 76 -4.347 5.924 0.906 573 HA ASP 76 HA ASP 76 -5.637 7.012 -1.437 574 HB2 ASP 76 HB2 ASP 76 -7.622 7.258 0.020 575 HB3 ASP 76 HB3 ASP 76 -7.046 5.612 -0.078 576 H MET 77 H MET 77 -4.649 8.824 -1.926 577 HA MET 77 HA MET 77 -3.574 10.710 -0.180 578 HB2 MET 77 HB2 MET 77 -3.598 12.216 -2.181 579 HB3 MET 77 HB3 MET 77 -2.847 10.651 -2.433 580 HG2 MET 77 HG2 MET 77 -5.010 9.886 -3.442 581 HG3 MET 77 HG3 MET 77 -5.544 11.561 -3.372 582 HE1 MET 77 HE1 MET 77 -3.121 8.980 -4.991 583 HE2 MET 77 HE2 MET 77 -1.985 10.047 -4.170 584 HE3 MET 77 HE3 MET 77 -2.041 10.007 -5.933 585 H ASN 78 H ASN 78 -6.779 10.412 -1.471 586 HA ASN 78 HA ASN 78 -7.676 12.944 -0.402 587 HB2 ASN 78 HB2 ASN 78 -9.888 12.293 -1.162 588 HB3 ASN 78 HB3 ASN 78 -8.718 11.944 -2.426 589 HD21 ASN 78 HD21 ASN 78 -11.412 10.831 -1.733 590 HD22 ASN 78 HD22 ASN 78 -11.163 9.117 -1.680 591 H ASN 79 H ASN 79 -6.882 10.059 0.918 592 HA ASN 79 HA ASN 79 -7.482 8.741 2.645 593 HB2 ASN 79 HB2 ASN 79 -6.673 10.836 3.801 594 HB3 ASN 79 HB3 ASN 79 -8.363 11.295 3.994 595 HD21 ASN 79 HD21 ASN 79 -7.126 8.004 4.157 596 HD22 ASN 79 HD22 ASN 79 -7.467 7.774 5.838 597 H ASP 80 H ASP 80 -9.130 7.831 1.361 598 HA ASP 80 HA ASP 80 -11.841 8.747 1.591 599 HB2 ASP 80 HB2 ASP 80 -10.996 7.642 -0.448 600 HB3 ASP 80 HB3 ASP 80 -10.712 6.169 0.473 601 H GLY 81 H GLY 81 -9.763 6.378 3.089 602 HA2 GLY 81 HA2 GLY 81 -10.062 5.460 5.219 603 HA3 GLY 81 HA3 GLY 81 -11.726 6.024 5.208 604 H ARG 82 H ARG 82 -11.429 4.635 2.330 605 HA ARG 82 HA ARG 82 -12.182 1.967 3.334 606 HB2 ARG 82 HB2 ARG 82 -13.327 3.493 0.995 607 HB3 ARG 82 HB3 ARG 82 -13.686 1.807 1.346 608 HG2 ARG 82 HG2 ARG 82 -14.820 2.352 3.333 609 HG3 ARG 82 HG3 ARG 82 -14.188 4.000 3.334 610 HD2 ARG 82 HD2 ARG 82 -16.053 2.875 1.252 611 HD3 ARG 82 HD3 ARG 82 -16.564 3.839 2.636 612 HE ARG 82 HE ARG 82 -14.563 5.025 0.870 613 HH11 ARG 82 HH11 ARG 82 -17.940 4.836 1.835 614 HH12 ARG 82 HH12 ARG 82 -18.362 6.347 1.089 615 HH21 ARG 82 HH21 ARG 82 -15.121 6.991 -0.113 616 HH22 ARG 82 HH22 ARG 82 -16.774 7.547 -0.061 617 H MET 83 H MET 83 -10.940 3.752 0.592 618 HA MET 83 HA MET 83 -9.229 3.388 -0.840 619 HB2 MET 83 HB2 MET 83 -7.854 2.709 1.000 620 HB3 MET 83 HB3 MET 83 -8.595 1.116 1.035 621 HG2 MET 83 HG2 MET 83 -7.607 0.555 -1.086 622 HG3 MET 83 HG3 MET 83 -6.964 2.187 -1.255 623 HE1 MET 83 HE1 MET 83 -5.974 2.822 1.689 624 HE2 MET 83 HE2 MET 83 -5.063 3.189 0.224 625 HE3 MET 83 HE3 MET 83 -4.285 2.336 1.558 626 H ASP 84 H ASP 84 -9.795 2.878 -2.792 627 HA ASP 84 HA ASP 84 -11.051 0.294 -3.346 628 HB2 ASP 84 HB2 ASP 84 -11.823 2.567 -4.312 629 HB3 ASP 84 HB3 ASP 84 -10.423 2.443 -5.370 630 H GLN 85 H GLN 85 -10.151 -0.330 -5.833 631 HA GLN 85 HA GLN 85 -7.739 -1.667 -5.169 632 HB2 GLN 85 HB2 GLN 85 -9.254 -1.392 -7.763 633 HB3 GLN 85 HB3 GLN 85 -7.787 -2.347 -7.619 634 HG2 GLN 85 HG2 GLN 85 -9.594 -3.849 -7.451 635 HG3 GLN 85 HG3 GLN 85 -8.942 -3.671 -5.826 636 HE21 GLN 85 HE21 GLN 85 -10.174 -2.654 -4.247 637 HE22 GLN 85 HE22 GLN 85 -11.858 -2.327 -4.458 638 H VAL 86 H VAL 86 -8.353 1.370 -6.741 639 HA VAL 86 HA VAL 86 -5.861 1.576 -8.093 640 HB VAL 86 HB VAL 86 -7.630 3.815 -7.084 641 HG11 VAL 86 HG11 VAL 86 -6.543 5.165 -8.822 642 HG12 VAL 86 HG12 VAL 86 -5.485 3.808 -9.208 643 HG13 VAL 86 HG13 VAL 86 -5.384 4.582 -7.627 644 HG21 VAL 86 HG21 VAL 86 -8.861 2.315 -8.552 645 HG22 VAL 86 HG22 VAL 86 -7.588 2.432 -9.765 646 HG23 VAL 86 HG23 VAL 86 -8.549 3.853 -9.358 647 H GLU 87 H GLU 87 -7.010 3.108 -5.080 648 HA GLU 87 HA GLU 87 -4.477 4.031 -4.251 649 HB2 GLU 87 HB2 GLU 87 -6.720 3.296 -2.370 650 HB3 GLU 87 HB3 GLU 87 -5.470 4.508 -2.138 651 HG2 GLU 87 HG2 GLU 87 -7.273 5.819 -2.635 652 HG3 GLU 87 HG3 GLU 87 -6.554 5.619 -4.232 653 H PHE 88 H PHE 88 -6.113 0.981 -3.891 654 HA PHE 88 HA PHE 88 -4.443 -0.100 -1.877 655 HB2 PHE 88 HB2 PHE 88 -6.740 -0.920 -2.673 656 HB3 PHE 88 HB3 PHE 88 -5.872 -1.713 -3.984 657 HD1 PHE 88 HD1 PHE 88 -5.926 -1.436 -0.283 658 HD2 PHE 88 HD2 PHE 88 -5.047 -3.848 -3.674 659 HE1 PHE 88 HE1 PHE 88 -5.476 -3.348 1.199 660 HE2 PHE 88 HE2 PHE 88 -4.596 -5.762 -2.201 661 HZ PHE 88 HZ PHE 88 -4.810 -5.512 0.239 662 H SER 89 H SER 89 -4.156 0.218 -5.329 663 HA SER 89 HA SER 89 -2.139 -1.729 -5.712 664 HB2 SER 89 HB2 SER 89 -2.851 0.706 -7.359 665 HB3 SER 89 HB3 SER 89 -1.724 -0.550 -7.870 666 HG SER 89 HG SER 89 -4.501 -0.820 -7.332 667 H ILE 90 H ILE 90 -2.062 1.780 -5.207 668 HA ILE 90 HA ILE 90 0.759 2.003 -5.467 669 HB ILE 90 HB ILE 90 -0.715 3.898 -5.894 670 HG12 ILE 90 HG12 ILE 90 1.117 4.435 -3.549 671 HG13 ILE 90 HG13 ILE 90 1.611 4.362 -5.238 672 HG21 ILE 90 HG21 ILE 90 -1.807 5.116 -4.084 673 HG22 ILE 90 HG22 ILE 90 -1.293 3.875 -2.942 674 HG23 ILE 90 HG23 ILE 90 -2.426 3.471 -4.231 675 HD11 ILE 90 HD11 ILE 90 -0.333 6.355 -4.089 676 HD12 ILE 90 HD12 ILE 90 0.263 6.304 -5.747 677 HD13 ILE 90 HD13 ILE 90 1.371 6.661 -4.423 678 H ALA 91 H ALA 91 -1.404 1.352 -2.803 679 HA ALA 91 HA ALA 91 0.383 1.814 -0.668 680 HB1 ALA 91 HB1 ALA 91 -1.141 0.495 0.670 681 HB2 ALA 91 HB2 ALA 91 -1.897 -0.158 -0.782 682 HB3 ALA 91 HB3 ALA 91 -2.056 1.556 -0.401 683 H MET 92 H MET 92 -0.134 -0.923 -2.795 684 HA MET 92 HA MET 92 1.286 -2.812 -1.216 685 HB2 MET 92 HB2 MET 92 0.313 -2.775 -4.054 686 HB3 MET 92 HB3 MET 92 1.349 -4.077 -3.481 687 HG2 MET 92 HG2 MET 92 -1.302 -3.289 -2.296 688 HG3 MET 92 HG3 MET 92 -1.003 -4.679 -3.341 689 HE1 MET 92 HE1 MET 92 -1.634 -6.257 0.219 690 HE2 MET 92 HE2 MET 92 -2.199 -6.166 -1.449 691 HE3 MET 92 HE3 MET 92 -2.371 -4.773 -0.382 692 H LYS 93 H LYS 93 2.343 -0.292 -3.250 693 HA LYS 93 HA LYS 93 4.945 -1.539 -3.636 694 HB2 LYS 93 HB2 LYS 93 3.995 -0.173 -5.466 695 HB3 LYS 93 HB3 LYS 93 4.030 1.238 -4.415 696 HG2 LYS 93 HG2 LYS 93 6.428 1.159 -4.301 697 HG3 LYS 93 HG3 LYS 93 6.461 -0.350 -5.209 698 HD2 LYS 93 HD2 LYS 93 5.534 0.796 -7.157 699 HD3 LYS 93 HD3 LYS 93 5.473 2.304 -6.243 700 HE2 LYS 93 HE2 LYS 93 7.434 2.285 -7.658 701 HE3 LYS 93 HE3 LYS 93 7.915 2.210 -5.965 702 HZ1 LYS 93 HZ1 LYS 93 8.141 -0.237 -6.256 703 HZ2 LYS 93 HZ2 LYS 93 9.230 0.669 -7.185 704 HZ3 LYS 93 HZ3 LYS 93 7.875 -0.026 -7.913 705 H LEU 94 H LEU 94 3.386 0.912 -1.673 706 HA LEU 94 HA LEU 94 5.622 2.202 -0.633 707 HB2 LEU 94 HB2 LEU 94 2.831 2.108 -0.058 708 HB3 LEU 94 HB3 LEU 94 3.710 1.944 1.447 709 HG LEU 94 HG LEU 94 4.964 4.011 0.913 710 HD11 LEU 94 HD11 LEU 94 3.024 4.214 -1.387 711 HD12 LEU 94 HD12 LEU 94 4.760 3.936 -1.518 712 HD13 LEU 94 HD13 LEU 94 4.157 5.464 -0.873 713 HD21 LEU 94 HD21 LEU 94 3.094 5.541 1.348 714 HD22 LEU 94 HD22 LEU 94 3.014 4.092 2.351 715 HD23 LEU 94 HD23 LEU 94 1.959 4.250 0.947 716 H ILE 95 H ILE 95 4.138 -0.833 0.282 717 HA ILE 95 HA ILE 95 5.323 -1.221 2.767 718 HB ILE 95 HB ILE 95 4.760 -3.402 0.751 719 HG12 ILE 95 HG12 ILE 95 2.861 -2.172 2.760 720 HG13 ILE 95 HG13 ILE 95 2.832 -1.843 1.031 721 HG21 ILE 95 HG21 ILE 95 4.774 -3.413 3.770 722 HG22 ILE 95 HG22 ILE 95 5.995 -4.134 2.723 723 HG23 ILE 95 HG23 ILE 95 4.353 -4.782 2.740 724 HD11 ILE 95 HD11 ILE 95 2.345 -4.192 0.595 725 HD12 ILE 95 HD12 ILE 95 1.134 -3.459 1.650 726 HD13 ILE 95 HD13 ILE 95 2.372 -4.517 2.329 727 H LYS 96 H LYS 96 6.558 -1.882 -0.479 728 HA LYS 96 HA LYS 96 8.855 -3.303 0.331 729 HB2 LYS 96 HB2 LYS 96 7.891 -2.027 -2.175 730 HB3 LYS 96 HB3 LYS 96 9.596 -2.412 -2.054 731 HG2 LYS 96 HG2 LYS 96 7.339 -4.368 -1.689 732 HG3 LYS 96 HG3 LYS 96 8.337 -4.200 -3.138 733 HD2 LYS 96 HD2 LYS 96 10.332 -4.743 -1.792 734 HD3 LYS 96 HD3 LYS 96 9.294 -4.975 -0.384 735 HE2 LYS 96 HE2 LYS 96 8.141 -6.791 -1.518 736 HE3 LYS 96 HE3 LYS 96 9.125 -6.537 -2.958 737 HZ1 LYS 96 HZ1 LYS 96 11.098 -7.057 -1.594 738 HZ2 LYS 96 HZ2 LYS 96 10.016 -8.353 -1.725 739 HZ3 LYS 96 HZ3 LYS 96 10.076 -7.445 -0.293 740 H LEU 97 H LEU 97 8.280 0.101 -0.459 741 HA LEU 97 HA LEU 97 10.991 0.887 -0.125 742 HB2 LEU 97 HB2 LEU 97 8.407 2.433 -0.152 743 HB3 LEU 97 HB3 LEU 97 9.947 3.215 0.137 744 HG LEU 97 HG LEU 97 9.413 3.550 -2.148 745 HD11 LEU 97 HD11 LEU 97 11.745 3.038 -1.725 746 HD12 LEU 97 HD12 LEU 97 11.248 2.444 -3.310 747 HD13 LEU 97 HD13 LEU 97 11.426 1.319 -1.962 748 HD21 LEU 97 HD21 LEU 97 8.968 1.701 -3.710 749 HD22 LEU 97 HD22 LEU 97 7.732 1.848 -2.459 750 HD23 LEU 97 HD23 LEU 97 8.951 0.580 -2.349 751 H LYS 98 H LYS 98 8.207 0.691 1.976 752 HA LYS 98 HA LYS 98 9.192 2.088 4.203 753 HB2 LYS 98 HB2 LYS 98 6.845 0.947 3.564 754 HB3 LYS 98 HB3 LYS 98 7.473 -0.292 4.637 755 HG2 LYS 98 HG2 LYS 98 6.247 1.023 6.065 756 HG3 LYS 98 HG3 LYS 98 7.876 1.674 6.267 757 HD2 LYS 98 HD2 LYS 98 7.395 3.560 4.946 758 HD3 LYS 98 HD3 LYS 98 5.926 2.831 4.296 759 HE2 LYS 98 HE2 LYS 98 5.038 2.852 6.666 760 HE3 LYS 98 HE3 LYS 98 6.420 3.869 7.074 761 HZ1 LYS 98 HZ1 LYS 98 4.412 5.153 6.568 762 HZ2 LYS 98 HZ2 LYS 98 4.399 4.520 5.002 763 HZ3 LYS 98 HZ3 LYS 98 5.679 5.509 5.504 764 H LEU 99 H LEU 99 9.250 -1.359 3.401 765 HA LEU 99 HA LEU 99 10.516 -2.190 5.786 766 HB2 LEU 99 HB2 LEU 99 10.060 -3.479 3.119 767 HB3 LEU 99 HB3 LEU 99 10.986 -4.292 4.363 768 HG LEU 99 HG LEU 99 8.143 -3.343 4.732 769 HD11 LEU 99 HD11 LEU 99 8.262 -5.047 2.981 770 HD12 LEU 99 HD12 LEU 99 7.505 -5.679 4.444 771 HD13 LEU 99 HD13 LEU 99 9.175 -6.098 4.064 772 HD21 LEU 99 HD21 LEU 99 8.192 -4.851 6.657 773 HD22 LEU 99 HD22 LEU 99 9.418 -3.590 6.797 774 HD23 LEU 99 HD23 LEU 99 9.883 -5.224 6.324 775 H GLN 100 H GLN 100 11.812 -0.892 2.825 776 HA GLN 100 HA GLN 100 14.421 -2.065 3.383 777 HB2 GLN 100 HB2 GLN 100 15.119 -1.201 1.220 778 HB3 GLN 100 HB3 GLN 100 13.648 -2.151 1.082 779 HG2 GLN 100 HG2 GLN 100 12.331 -0.107 0.949 780 HG3 GLN 100 HG3 GLN 100 13.806 0.851 1.114 781 HE21 GLN 100 HE21 GLN 100 12.011 -1.309 -0.954 782 HE22 GLN 100 HE22 GLN 100 12.857 -0.928 -2.415 783 H GLY 101 H GLY 101 12.864 0.670 4.424 784 HA2 GLY 101 HA2 GLY 101 14.579 1.698 6.042 785 HA3 GLY 101 HA3 GLY 101 15.431 2.120 4.570 786 H TYR 102 H TYR 102 12.499 2.563 3.467 787 HA TYR 102 HA TYR 102 12.535 5.389 4.155 788 HB2 TYR 102 HB2 TYR 102 10.778 3.878 2.214 789 HB3 TYR 102 HB3 TYR 102 10.797 5.621 2.421 790 HD1 TYR 102 HD2 TYR 102 12.892 6.892 1.804 791 HD2 TYR 102 HD1 TYR 102 12.312 2.802 0.787 792 HE1 TYR 102 HE2 TYR 102 14.623 7.084 0.068 793 HE2 TYR 102 HE1 TYR 102 14.038 2.982 -0.951 794 HH TYR 102 HH TYR 102 16.220 5.457 -1.129 795 H GLN 103 H GLN 103 10.576 6.502 4.761 796 HA GLN 103 HA GLN 103 8.513 4.820 5.973 797 HB2 GLN 103 HB2 GLN 103 8.468 6.391 7.958 798 HB3 GLN 103 HB3 GLN 103 9.822 5.276 7.878 799 HG2 GLN 103 HG2 GLN 103 11.179 7.140 6.901 800 HG3 GLN 103 HG3 GLN 103 9.826 8.217 7.254 801 HE21 GLN 103 HE21 GLN 103 11.089 9.423 8.694 802 HE22 GLN 103 HE22 GLN 103 11.533 8.815 10.255 803 H LEU 104 H LEU 104 9.522 7.962 4.796 804 HA LEU 104 HA LEU 104 8.424 9.548 3.609 805 HB2 LEU 104 HB2 LEU 104 6.278 7.439 3.473 806 HB3 LEU 104 HB3 LEU 104 6.146 8.991 2.674 807 HG LEU 104 HG LEU 104 8.363 8.325 1.504 808 HD11 LEU 104 HD11 LEU 104 8.861 6.385 2.895 809 HD12 LEU 104 HD12 LEU 104 8.668 5.931 1.202 810 HD13 LEU 104 HD13 LEU 104 7.371 5.610 2.356 811 HD21 LEU 104 HD21 LEU 104 7.126 7.213 -0.262 812 HD22 LEU 104 HD22 LEU 104 6.188 8.553 0.398 813 HD23 LEU 104 HD23 LEU 104 5.792 6.893 0.847 814 HA PRO 105 HA PRO 105 5.552 11.571 6.404 815 HB2 PRO 105 HB2 PRO 105 5.045 13.694 4.631 816 HB3 PRO 105 HB3 PRO 105 6.320 13.641 5.847 817 HG2 PRO 105 HG2 PRO 105 6.662 13.660 3.048 818 HG3 PRO 105 HG3 PRO 105 7.909 13.360 4.268 819 HD2 PRO 105 HD2 PRO 105 6.377 11.430 2.605 820 HD3 PRO 105 HD3 PRO 105 8.024 11.306 3.257 821 H SER 106 H SER 106 3.384 13.098 5.639 822 HA SER 106 HA SER 106 1.509 11.070 4.836 823 HB2 SER 106 HB2 SER 106 1.080 14.023 5.333 824 HB3 SER 106 HB3 SER 106 -0.172 12.785 5.243 825 HG SER 106 HG SER 106 0.429 11.990 7.159 826 H ALA 107 H ALA 107 3.551 12.917 3.113 827 HA ALA 107 HA ALA 107 1.752 13.033 0.798 828 HB1 ALA 107 HB1 ALA 107 3.023 14.950 -0.023 829 HB2 ALA 107 HB2 ALA 107 4.040 14.896 1.417 830 HB3 ALA 107 HB3 ALA 107 2.324 15.278 1.562 831 H LEU 108 H LEU 108 2.286 11.592 -0.704 832 HA LEU 108 HA LEU 108 4.950 10.421 -0.692 833 HB2 LEU 108 HB2 LEU 108 3.904 8.806 -2.342 834 HB3 LEU 108 HB3 LEU 108 3.280 8.776 -0.708 835 HG LEU 108 HG LEU 108 1.392 10.282 -1.600 836 HD11 LEU 108 HD11 LEU 108 0.886 10.056 -3.962 837 HD12 LEU 108 HD12 LEU 108 2.381 9.155 -4.213 838 HD13 LEU 108 HD13 LEU 108 2.444 10.852 -3.737 839 HD21 LEU 108 HD21 LEU 108 0.134 8.333 -2.371 840 HD22 LEU 108 HD22 LEU 108 1.080 7.974 -0.926 841 HD23 LEU 108 HD23 LEU 108 1.638 7.421 -2.506 842 HA PRO 109 HA PRO 109 6.658 12.389 -4.192 843 HB2 PRO 109 HB2 PRO 109 7.103 9.773 -5.517 844 HB3 PRO 109 HB3 PRO 109 8.269 11.023 -5.070 845 HG2 PRO 109 HG2 PRO 109 8.113 8.755 -3.686 846 HG3 PRO 109 HG3 PRO 109 8.394 10.304 -2.868 847 HD2 PRO 109 HD2 PRO 109 5.872 8.706 -3.087 848 HD3 PRO 109 HD3 PRO 109 6.526 9.596 -1.696 849 HA PRO 110 HA PRO 110 3.609 12.773 -7.373 850 HB2 PRO 110 HB2 PRO 110 5.730 13.799 -9.135 851 HB3 PRO 110 HB3 PRO 110 4.310 14.628 -8.494 852 HG2 PRO 110 HG2 PRO 110 6.789 15.202 -7.632 853 HG3 PRO 110 HG3 PRO 110 5.388 15.245 -6.543 854 HD2 PRO 110 HD2 PRO 110 7.475 13.118 -6.865 855 HD3 PRO 110 HD3 PRO 110 6.758 13.772 -5.377 856 H VAL 111 H VAL 111 6.451 10.927 -7.745 857 HA VAL 111 HA VAL 111 6.078 10.033 -10.423 858 HB VAL 111 HB VAL 111 7.613 8.594 -8.255 859 HG11 VAL 111 HG11 VAL 111 7.959 8.696 -11.249 860 HG12 VAL 111 HG12 VAL 111 7.329 7.339 -10.316 861 HG13 VAL 111 HG13 VAL 111 9.009 7.838 -10.122 862 HG21 VAL 111 HG21 VAL 111 9.570 9.904 -8.933 863 HG22 VAL 111 HG22 VAL 111 8.302 10.923 -8.254 864 HG23 VAL 111 HG23 VAL 111 8.548 10.868 -10.000 865 H MET 112 H MET 112 4.660 9.187 -7.410 866 HA MET 112 HA MET 112 3.747 6.597 -8.397 867 HB2 MET 112 HB2 MET 112 3.603 7.966 -5.728 868 HB3 MET 112 HB3 MET 112 2.610 6.559 -6.078 869 HG2 MET 112 HG2 MET 112 4.647 5.274 -6.577 870 HG3 MET 112 HG3 MET 112 5.613 6.684 -6.146 871 HE1 MET 112 HE1 MET 112 5.679 3.623 -4.913 872 HE2 MET 112 HE2 MET 112 6.017 3.990 -3.222 873 HE3 MET 112 HE3 MET 112 6.873 4.854 -4.500 874 H LYS 113 H LYS 113 2.363 9.662 -7.244 875 HA LYS 113 HA LYS 113 -0.311 8.923 -7.794 876 HB2 LYS 113 HB2 LYS 113 -0.742 11.415 -7.610 877 HB3 LYS 113 HB3 LYS 113 -0.014 10.647 -6.208 878 HG2 LYS 113 HG2 LYS 113 2.222 11.439 -7.274 879 HG3 LYS 113 HG3 LYS 113 1.186 12.560 -8.159 880 HD2 LYS 113 HD2 LYS 113 1.382 12.280 -5.158 881 HD3 LYS 113 HD3 LYS 113 2.019 13.607 -6.127 882 HE2 LYS 113 HE2 LYS 113 -0.215 14.276 -6.757 883 HE3 LYS 113 HE3 LYS 113 -0.900 12.871 -5.944 884 HZ1 LYS 113 HZ1 LYS 113 0.566 15.079 -4.594 885 HZ2 LYS 113 HZ2 LYS 113 -0.141 13.739 -3.829 886 HZ3 LYS 113 HZ3 LYS 113 -1.118 14.883 -4.607 887 H GLN 114 H GLN 114 2.114 10.717 -9.627 888 HA GLN 114 HA GLN 114 2.492 10.915 -11.834 889 HB2 GLN 114 HB2 GLN 114 0.368 8.797 -12.129 890 HB3 GLN 114 HB3 GLN 114 1.496 9.305 -13.373 891 HG2 GLN 114 HG2 GLN 114 3.360 8.581 -11.910 892 HG3 GLN 114 HG3 GLN 114 2.167 7.945 -10.781 893 HE21 GLN 114 HE21 GLN 114 4.257 6.569 -12.235 894 HE22 GLN 114 HE22 GLN 114 3.483 5.352 -13.184 895 H GLN 115 H GLN 115 1.799 11.872 -13.735 896 HA GLN 115 HA GLN 115 -0.880 12.436 -14.382 897 HB2 GLN 115 HB2 GLN 115 -0.725 14.033 -12.516 898 HB3 GLN 115 HB3 GLN 115 0.684 14.775 -13.263 899 HG2 GLN 115 HG2 GLN 115 -0.690 15.415 -15.191 900 HG3 GLN 115 HG3 GLN 115 -2.099 14.701 -14.407 901 HE21 GLN 115 HE21 GLN 115 0.185 17.320 -14.372 902 HE22 GLN 115 HE22 GLN 115 -0.718 18.345 -13.311 903 HA PRO 116 HA PRO 116 1.782 13.122 -18.014 904 HB2 PRO 116 HB2 PRO 116 0.188 11.866 -19.770 905 HB3 PRO 116 HB3 PRO 116 1.263 10.962 -18.695 906 HG2 PRO 116 HG2 PRO 116 -1.681 11.447 -18.462 907 HG3 PRO 116 HG3 PRO 116 -0.757 9.970 -18.129 908 HD2 PRO 116 HD2 PRO 116 -1.607 11.749 -16.202 909 HD3 PRO 116 HD3 PRO 116 -0.244 10.632 -16.010 910 H VAL 117 H VAL 117 0.419 13.619 -20.412 911 HA VAL 117 HA VAL 117 -0.824 16.156 -19.856 912 HB VAL 117 HB VAL 117 -0.806 14.763 -22.518 913 HG11 VAL 117 HG11 VAL 117 -2.267 16.701 -22.346 914 HG12 VAL 117 HG12 VAL 117 -0.907 17.028 -23.421 915 HG13 VAL 117 HG13 VAL 117 -0.912 17.679 -21.781 916 HG21 VAL 117 HG21 VAL 117 1.275 16.002 -23.012 917 HG22 VAL 117 HG22 VAL 117 1.483 14.797 -21.740 918 HG23 VAL 117 HG23 VAL 117 1.342 16.505 -21.322 919 H ALA 118 H ALA 118 -2.908 16.657 -19.942 920 HA ALA 118 HA ALA 118 -4.943 14.910 -20.936 921 HB1 ALA 118 HB1 ALA 118 -4.770 15.341 -17.951 922 HB2 ALA 118 HB2 ALA 118 -4.515 13.812 -18.795 923 HB3 ALA 118 HB3 ALA 118 -6.108 14.571 -18.805 924 H ILE 119 H ILE 119 -5.386 16.770 -22.143 925 HA ILE 119 HA ILE 119 -5.691 19.334 -21.005 926 HB ILE 119 HB ILE 119 -5.127 19.162 -23.318 927 HG12 ILE 119 HG12 ILE 119 -7.956 20.217 -23.107 928 HG13 ILE 119 HG13 ILE 119 -6.506 21.103 -22.643 929 HG21 ILE 119 HG21 ILE 119 -7.742 17.714 -23.696 930 HG22 ILE 119 HG22 ILE 119 -6.121 17.039 -23.859 931 HG23 ILE 119 HG23 ILE 119 -6.686 18.257 -25.001 932 HD11 ILE 119 HD11 ILE 119 -7.332 21.785 -24.834 933 HD12 ILE 119 HD12 ILE 119 -7.145 20.130 -25.417 934 HD13 ILE 119 HD13 ILE 119 -5.726 21.062 -24.941 935 H SER 120 H SER 120 -7.199 19.900 -19.642 936 HA SER 120 HA SER 120 -9.827 18.644 -19.739 937 HB2 SER 120 HB2 SER 120 -9.993 20.067 -17.514 938 HB3 SER 120 HB3 SER 120 -9.091 18.551 -17.543 939 HG SER 120 HG SER 120 -8.185 21.173 -17.314 940 H SER 121 H SER 121 -11.311 19.629 -20.931 941 HA SER 121 HA SER 121 -11.755 22.480 -20.610 942 HB2 SER 121 HB2 SER 121 -11.293 21.270 -23.351 943 HB3 SER 121 HB3 SER 121 -11.729 22.946 -23.012 944 HG SER 121 HG SER 121 -9.595 22.392 -21.557 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -21.405 -5.299 11.227 2 H2 MET 1 H2 MET 1 -21.675 -4.420 12.645 3 H3 MET 1 H3 MET 1 -21.604 -3.619 11.153 4 HA MET 1 HA MET 1 -23.670 -5.544 12.043 5 HB2 MET 1 HB2 MET 1 -23.714 -2.563 11.558 6 HB3 MET 1 HB3 MET 1 -25.177 -3.532 11.658 7 HG2 MET 1 HG2 MET 1 -24.784 -2.473 13.767 8 HG3 MET 1 HG3 MET 1 -24.528 -4.208 13.941 9 HE1 MET 1 HE1 MET 1 -21.964 -2.607 16.453 10 HE2 MET 1 HE2 MET 1 -23.345 -3.691 16.277 11 HE3 MET 1 HE3 MET 1 -23.550 -1.957 16.033 12 H GLY 2 H GLY 2 -22.606 -3.347 9.446 13 HA2 GLY 2 HA2 GLY 2 -23.088 -5.240 7.421 14 HA3 GLY 2 HA3 GLY 2 -24.481 -4.173 7.536 15 H HIS 3 H HIS 3 -22.533 -4.511 5.378 16 HA HIS 3 HA HIS 3 -21.071 -2.019 5.300 17 HB2 HIS 3 HB2 HIS 3 -21.565 -4.123 3.182 18 HB3 HIS 3 HB3 HIS 3 -20.533 -2.715 2.962 19 HD1 HIS 3 HD1 HIS 3 -20.304 -6.160 3.770 20 HD2 HIS 3 HD2 HIS 3 -18.437 -2.716 5.171 21 HE1 HIS 3 HE1 HIS 3 -18.197 -6.939 4.889 22 HE2 HIS 3 HE2 HIS 3 -17.223 -4.870 5.946 23 H HIS 4 H HIS 4 -21.410 -0.488 3.461 24 HA HIS 4 HA HIS 4 -24.206 0.242 3.471 25 HB2 HIS 4 HB2 HIS 4 -22.259 1.846 3.814 26 HB3 HIS 4 HB3 HIS 4 -21.971 1.714 2.083 27 HD1 HIS 4 HD1 HIS 4 -22.468 4.333 2.059 28 HD2 HIS 4 HD2 HIS 4 -25.701 1.893 3.008 29 HE1 HIS 4 HE1 HIS 4 -24.513 5.770 1.771 30 HE2 HIS 4 HE2 HIS 4 -26.442 4.324 2.514 31 H HIS 5 H HIS 5 -22.404 -1.724 1.562 32 HA HIS 5 HA HIS 5 -22.993 -2.953 -0.246 33 HB2 HIS 5 HB2 HIS 5 -25.461 -1.225 -0.231 34 HB3 HIS 5 HB3 HIS 5 -25.192 -2.502 -1.411 35 HD1 HIS 5 HD1 HIS 5 -25.684 -4.871 -0.684 36 HD2 HIS 5 HD2 HIS 5 -25.804 -2.159 2.453 37 HE1 HIS 5 HE1 HIS 5 -26.574 -6.156 1.278 38 HE2 HIS 5 HE2 HIS 5 -26.453 -4.542 3.210 39 H HIS 6 H HIS 6 -23.152 0.530 -0.581 40 HA HIS 6 HA HIS 6 -22.830 0.673 -3.380 41 HB2 HIS 6 HB2 HIS 6 -23.516 2.592 -1.980 42 HB3 HIS 6 HB3 HIS 6 -21.918 2.626 -1.249 43 HD1 HIS 6 HD1 HIS 6 -20.369 4.254 -2.265 44 HD2 HIS 6 HD2 HIS 6 -23.323 3.057 -4.930 45 HE1 HIS 6 HE1 HIS 6 -19.974 5.590 -4.355 46 HE2 HIS 6 HE2 HIS 6 -21.891 4.990 -5.882 47 H HIS 7 H HIS 7 -21.176 -0.140 -4.519 48 HA HIS 7 HA HIS 7 -18.457 0.390 -3.686 49 HB2 HIS 7 HB2 HIS 7 -17.714 -1.886 -3.538 50 HB3 HIS 7 HB3 HIS 7 -19.084 -1.703 -2.452 51 HD1 HIS 7 HD1 HIS 7 -21.339 -2.871 -3.191 52 HD2 HIS 7 HD2 HIS 7 -18.038 -3.737 -5.572 53 HE1 HIS 7 HE1 HIS 7 -21.975 -4.909 -4.523 54 HE2 HIS 7 HE2 HIS 7 -20.010 -5.346 -6.041 55 H HIS 8 H HIS 8 -16.884 -0.193 -5.290 56 HA HIS 8 HA HIS 8 -17.924 -1.011 -7.902 57 HB2 HIS 8 HB2 HIS 8 -16.439 0.750 -8.980 58 HB3 HIS 8 HB3 HIS 8 -17.897 1.347 -8.203 59 HD1 HIS 8 HD1 HIS 8 -17.631 3.024 -6.348 60 HD2 HIS 8 HD2 HIS 8 -14.009 1.377 -7.560 61 HE1 HIS 8 HE1 HIS 8 -15.848 4.383 -5.200 62 HE2 HIS 8 HE2 HIS 8 -13.660 3.335 -5.898 63 H SER 9 H SER 9 -16.535 -2.334 -9.012 64 HA SER 9 HA SER 9 -13.837 -2.677 -7.959 65 HB2 SER 9 HB2 SER 9 -14.346 -5.237 -7.977 66 HB3 SER 9 HB3 SER 9 -14.844 -4.265 -6.593 67 HG SER 9 HG SER 9 -16.645 -4.547 -8.719 68 H HIS 10 H HIS 10 -12.815 -2.159 -9.795 69 HA HIS 10 HA HIS 10 -13.120 -4.023 -12.040 70 HB2 HIS 10 HB2 HIS 10 -13.423 -1.090 -12.091 71 HB3 HIS 10 HB3 HIS 10 -12.333 -1.731 -13.314 72 HD1 HIS 10 HD1 HIS 10 -14.126 -0.923 -15.079 73 HD2 HIS 10 HD2 HIS 10 -15.371 -3.985 -12.553 74 HE1 HIS 10 HE1 HIS 10 -16.177 -1.903 -16.157 75 HE2 HIS 10 HE2 HIS 10 -16.807 -3.862 -14.704 76 H MET 11 H MET 11 -11.203 -4.438 -13.180 77 HA MET 11 HA MET 11 -8.720 -3.208 -12.408 78 HB2 MET 11 HB2 MET 11 -9.564 -5.747 -11.179 79 HB3 MET 11 HB3 MET 11 -7.964 -5.789 -11.902 80 HG2 MET 11 HG2 MET 11 -8.856 -3.740 -9.889 81 HG3 MET 11 HG3 MET 11 -7.984 -5.220 -9.492 82 HE1 MET 11 HE1 MET 11 -6.122 -3.798 -8.257 83 HE2 MET 11 HE2 MET 11 -6.968 -2.303 -8.655 84 HE3 MET 11 HE3 MET 11 -5.247 -2.461 -9.004 85 H ALA 12 H ALA 12 -8.898 -6.565 -13.306 86 HA ALA 12 HA ALA 12 -8.353 -7.737 -15.162 87 HB1 ALA 12 HB1 ALA 12 -9.319 -5.294 -16.641 88 HB2 ALA 12 HB2 ALA 12 -10.322 -6.645 -16.112 89 HB3 ALA 12 HB3 ALA 12 -9.072 -6.898 -17.331 90 H GLN 13 H GLN 13 -7.107 -7.422 -17.415 91 HA GLN 13 HA GLN 13 -5.140 -7.054 -18.459 92 HB2 GLN 13 HB2 GLN 13 -5.623 -4.407 -17.148 93 HB3 GLN 13 HB3 GLN 13 -4.109 -4.693 -17.994 94 HG2 GLN 13 HG2 GLN 13 -5.749 -3.572 -19.404 95 HG3 GLN 13 HG3 GLN 13 -5.301 -5.149 -20.045 96 HE21 GLN 13 HE21 GLN 13 -7.815 -3.267 -18.550 97 HE22 GLN 13 HE22 GLN 13 -9.115 -4.354 -18.916 98 H PHE 14 H PHE 14 -4.276 -8.773 -17.130 99 HA PHE 14 HA PHE 14 -2.129 -7.787 -15.371 100 HB2 PHE 14 HB2 PHE 14 -3.775 -9.104 -14.111 101 HB3 PHE 14 HB3 PHE 14 -3.577 -10.446 -15.234 102 HD1 PHE 14 HD1 PHE 14 -1.792 -8.406 -12.704 103 HD2 PHE 14 HD2 PHE 14 -1.899 -12.043 -14.910 104 HE1 PHE 14 HE1 PHE 14 0.015 -9.305 -11.299 105 HE2 PHE 14 HE2 PHE 14 -0.090 -12.950 -13.508 106 HZ PHE 14 HZ PHE 14 0.869 -11.579 -11.702 107 HA PRO 15 HA PRO 15 0.095 -9.863 -18.741 108 HB2 PRO 15 HB2 PRO 15 1.888 -7.940 -19.203 109 HB3 PRO 15 HB3 PRO 15 0.221 -7.783 -19.765 110 HG2 PRO 15 HG2 PRO 15 1.577 -6.460 -17.475 111 HG3 PRO 15 HG3 PRO 15 0.285 -5.851 -18.521 112 HD2 PRO 15 HD2 PRO 15 -0.005 -6.984 -15.942 113 HD3 PRO 15 HD3 PRO 15 -1.302 -6.585 -17.086 114 H THR 16 H THR 16 2.273 -10.695 -18.857 115 HA THR 16 HA THR 16 3.451 -11.180 -16.288 116 HB THR 16 HB THR 16 3.445 -12.938 -18.018 117 HG1 THR 16 HG1 THR 16 5.118 -13.561 -16.899 118 HG21 THR 16 HG21 THR 16 3.739 -11.580 -20.012 119 HG22 THR 16 HG22 THR 16 5.003 -12.806 -19.922 120 HG23 THR 16 HG23 THR 16 5.363 -11.133 -19.496 121 HA PRO 17 HA PRO 17 5.974 -7.583 -16.230 122 HB2 PRO 17 HB2 PRO 17 7.783 -8.377 -14.350 123 HB3 PRO 17 HB3 PRO 17 6.142 -7.840 -13.974 124 HG2 PRO 17 HG2 PRO 17 7.236 -10.611 -14.170 125 HG3 PRO 17 HG3 PRO 17 6.071 -9.942 -13.012 126 HD2 PRO 17 HD2 PRO 17 5.344 -11.461 -15.143 127 HD3 PRO 17 HD3 PRO 17 4.300 -10.206 -14.451 128 H PHE 18 H PHE 18 7.618 -6.861 -17.351 129 HA PHE 18 HA PHE 18 9.870 -8.609 -17.997 130 HB2 PHE 18 HB2 PHE 18 9.826 -7.841 -20.351 131 HB3 PHE 18 HB3 PHE 18 8.401 -8.777 -19.923 132 HD1 PHE 18 HD1 PHE 18 6.239 -7.579 -19.500 133 HD2 PHE 18 HD2 PHE 18 9.655 -5.637 -21.139 134 HE1 PHE 18 HE1 PHE 18 4.803 -5.768 -20.344 135 HE2 PHE 18 HE2 PHE 18 8.225 -3.823 -21.980 136 HZ PHE 18 HZ PHE 18 5.793 -3.884 -21.582 137 H GLY 19 H GLY 19 11.802 -7.491 -18.555 138 HA2 GLY 19 HA2 GLY 19 13.287 -5.718 -18.525 139 HA3 GLY 19 HA3 GLY 19 11.926 -4.617 -18.370 140 H GLY 20 H GLY 20 10.747 -5.019 -16.136 141 HA2 GLY 20 HA2 GLY 20 11.125 -5.562 -13.795 142 HA3 GLY 20 HA3 GLY 20 12.824 -5.186 -14.048 143 H SER 21 H SER 21 11.238 -4.079 -12.010 144 HA SER 21 HA SER 21 10.521 -1.406 -12.845 145 HB2 SER 21 HB2 SER 21 10.663 -2.471 -10.020 146 HB3 SER 21 HB3 SER 21 9.726 -1.096 -10.610 147 HG SER 21 HG SER 21 9.318 -3.856 -11.095 148 H LEU 22 H LEU 22 12.524 -0.569 -13.571 149 HA LEU 22 HA LEU 22 14.663 -0.241 -11.651 150 HB2 LEU 22 HB2 LEU 22 14.244 0.718 -14.470 151 HB3 LEU 22 HB3 LEU 22 15.563 1.327 -13.490 152 HG LEU 22 HG LEU 22 16.345 -1.061 -13.230 153 HD11 LEU 22 HD11 LEU 22 15.578 -2.688 -14.873 154 HD12 LEU 22 HD12 LEU 22 14.361 -1.548 -15.445 155 HD13 LEU 22 HD13 LEU 22 14.264 -2.191 -13.805 156 HD21 LEU 22 HD21 LEU 22 17.429 0.486 -14.747 157 HD22 LEU 22 HD22 LEU 22 16.245 0.120 -16.002 158 HD23 LEU 22 HD23 LEU 22 17.369 -1.127 -15.460 159 H ASP 23 H ASP 23 11.877 1.386 -12.715 160 HA ASP 23 HA ASP 23 12.556 3.803 -11.220 161 HB2 ASP 23 HB2 ASP 23 10.232 4.521 -12.211 162 HB3 ASP 23 HB3 ASP 23 11.665 4.531 -13.231 163 H THR 24 H THR 24 12.362 3.130 -9.136 164 HA THR 24 HA THR 24 10.279 1.418 -8.233 165 HB THR 24 HB THR 24 12.074 3.165 -6.551 166 HG1 THR 24 HG1 THR 24 13.470 1.967 -7.731 167 HG21 THR 24 HG21 THR 24 10.674 0.555 -5.941 168 HG22 THR 24 HG22 THR 24 10.222 2.142 -5.316 169 HG23 THR 24 HG23 THR 24 11.762 1.417 -4.855 170 H TRP 25 H TRP 25 10.717 4.915 -8.274 171 HA TRP 25 HA TRP 25 8.306 5.279 -6.674 172 HB2 TRP 25 HB2 TRP 25 10.470 7.113 -7.621 173 HB3 TRP 25 HB3 TRP 25 8.917 7.760 -7.112 174 HD1 TRP 25 HD1 TRP 25 12.153 7.295 -5.705 175 HE1 TRP 25 HE1 TRP 25 12.106 6.961 -3.151 176 HE3 TRP 25 HE3 TRP 25 7.195 6.202 -5.125 177 HZ2 TRP 25 HZ2 TRP 25 10.212 6.312 -1.161 178 HZ3 TRP 25 HZ3 TRP 25 6.345 5.733 -2.867 179 HH2 TRP 25 HH2 TRP 25 7.821 5.782 -0.922 180 H ALA 26 H ALA 26 8.769 4.485 -9.650 181 HA ALA 26 HA ALA 26 6.422 5.988 -10.590 182 HB1 ALA 26 HB1 ALA 26 8.361 6.453 -11.997 183 HB2 ALA 26 HB2 ALA 26 7.164 5.512 -12.888 184 HB3 ALA 26 HB3 ALA 26 8.607 4.726 -12.249 185 H ILE 27 H ILE 27 5.214 4.559 -12.315 186 HA ILE 27 HA ILE 27 4.952 1.895 -11.118 187 HB ILE 27 HB ILE 27 2.969 3.454 -12.766 188 HG12 ILE 27 HG12 ILE 27 3.132 4.233 -10.478 189 HG13 ILE 27 HG13 ILE 27 1.638 3.332 -10.677 190 HG21 ILE 27 HG21 ILE 27 2.702 0.687 -11.590 191 HG22 ILE 27 HG22 ILE 27 2.837 1.072 -13.306 192 HG23 ILE 27 HG23 ILE 27 1.421 1.595 -12.393 193 HD11 ILE 27 HD11 ILE 27 2.736 2.826 -8.562 194 HD12 ILE 27 HD12 ILE 27 4.157 2.260 -9.442 195 HD13 ILE 27 HD13 ILE 27 2.623 1.404 -9.598 196 H THR 28 H THR 28 6.301 0.631 -12.112 197 HA THR 28 HA THR 28 6.677 0.629 -14.968 198 HB THR 28 HB THR 28 7.569 -1.513 -13.029 199 HG1 THR 28 HG1 THR 28 8.478 1.134 -13.318 200 HG21 THR 28 HG21 THR 28 7.897 -1.980 -15.410 201 HG22 THR 28 HG22 THR 28 9.441 -1.759 -14.586 202 HG23 THR 28 HG23 THR 28 8.782 -0.466 -15.588 203 H VAL 29 H VAL 29 6.145 -1.227 -16.332 204 HA VAL 29 HA VAL 29 3.627 -2.398 -16.023 205 HB VAL 29 HB VAL 29 5.942 -3.601 -17.566 206 HG11 VAL 29 HG11 VAL 29 4.017 -5.074 -17.347 207 HG12 VAL 29 HG12 VAL 29 4.194 -4.516 -19.011 208 HG13 VAL 29 HG13 VAL 29 2.962 -3.805 -17.967 209 HG21 VAL 29 HG21 VAL 29 5.122 -2.299 -19.490 210 HG22 VAL 29 HG22 VAL 29 5.716 -1.271 -18.185 211 HG23 VAL 29 HG23 VAL 29 3.981 -1.477 -18.424 212 H GLU 30 H GLU 30 6.710 -3.296 -14.692 213 HA GLU 30 HA GLU 30 5.859 -5.887 -13.805 214 HB2 GLU 30 HB2 GLU 30 8.247 -5.331 -14.076 215 HB3 GLU 30 HB3 GLU 30 8.112 -4.124 -12.808 216 HG2 GLU 30 HG2 GLU 30 7.626 -5.843 -11.176 217 HG3 GLU 30 HG3 GLU 30 7.663 -7.077 -12.436 218 H GLU 31 H GLU 31 6.101 -2.666 -12.319 219 HA GLU 31 HA GLU 31 5.085 -3.271 -9.799 220 HB2 GLU 31 HB2 GLU 31 5.190 -0.815 -11.479 221 HB3 GLU 31 HB3 GLU 31 4.100 -0.811 -10.102 222 HG2 GLU 31 HG2 GLU 31 7.006 -1.520 -9.878 223 HG3 GLU 31 HG3 GLU 31 6.389 0.124 -9.696 224 H ARG 32 H ARG 32 3.378 -2.535 -12.814 225 HA ARG 32 HA ARG 32 0.818 -2.309 -11.692 226 HB2 ARG 32 HB2 ARG 32 -0.041 -2.412 -13.884 227 HB3 ARG 32 HB3 ARG 32 1.527 -1.648 -14.043 228 HG2 ARG 32 HG2 ARG 32 2.466 -3.618 -14.959 229 HG3 ARG 32 HG3 ARG 32 1.021 -4.558 -14.578 230 HD2 ARG 32 HD2 ARG 32 1.112 -2.219 -16.480 231 HD3 ARG 32 HD3 ARG 32 1.164 -3.913 -16.963 232 HE ARG 32 HE ARG 32 -1.096 -3.903 -15.594 233 HH11 ARG 32 HH11 ARG 32 0.100 -1.523 -17.869 234 HH12 ARG 32 HH12 ARG 32 -1.487 -1.062 -18.417 235 HH21 ARG 32 HH21 ARG 32 -3.186 -3.320 -16.326 236 HH22 ARG 32 HH22 ARG 32 -3.353 -2.107 -17.560 237 H ALA 33 H ALA 33 2.606 -5.080 -12.860 238 HA ALA 33 HA ALA 33 0.533 -6.979 -12.324 239 HB1 ALA 33 HB1 ALA 33 2.219 -8.666 -12.814 240 HB2 ALA 33 HB2 ALA 33 3.474 -7.429 -12.784 241 HB3 ALA 33 HB3 ALA 33 2.231 -7.390 -14.034 242 H LYS 34 H LYS 34 3.373 -5.802 -10.674 243 HA LYS 34 HA LYS 34 3.690 -7.657 -8.635 244 HB2 LYS 34 HB2 LYS 34 5.017 -5.493 -9.419 245 HB3 LYS 34 HB3 LYS 34 4.111 -4.743 -8.118 246 HG2 LYS 34 HG2 LYS 34 5.907 -7.134 -7.783 247 HG3 LYS 34 HG3 LYS 34 6.395 -5.464 -7.503 248 HD2 LYS 34 HD2 LYS 34 4.367 -5.409 -5.885 249 HD3 LYS 34 HD3 LYS 34 4.492 -7.170 -5.946 250 HE2 LYS 34 HE2 LYS 34 6.590 -5.202 -5.054 251 HE3 LYS 34 HE3 LYS 34 5.771 -6.415 -4.077 252 HZ1 LYS 34 HZ1 LYS 34 7.033 -8.098 -4.936 253 HZ2 LYS 34 HZ2 LYS 34 8.159 -6.829 -5.013 254 HZ3 LYS 34 HZ3 LYS 34 7.321 -7.303 -6.404 255 H HIS 35 H HIS 35 1.607 -4.819 -8.826 256 HA HIS 35 HA HIS 35 0.898 -4.724 -6.101 257 HB2 HIS 35 HB2 HIS 35 -0.509 -3.612 -8.530 258 HB3 HIS 35 HB3 HIS 35 -0.997 -3.273 -6.874 259 HD1 HIS 35 HD1 HIS 35 -0.398 -0.785 -8.101 260 HD2 HIS 35 HD2 HIS 35 2.717 -3.198 -6.772 261 HE1 HIS 35 HE1 HIS 35 1.605 0.724 -7.933 262 HE2 HIS 35 HE2 HIS 35 3.522 -0.795 -7.305 263 H ASP 36 H ASP 36 -0.491 -6.502 -8.806 264 HA ASP 36 HA ASP 36 -2.927 -7.167 -7.492 265 HB2 ASP 36 HB2 ASP 36 -2.722 -7.340 -9.931 266 HB3 ASP 36 HB3 ASP 36 -1.518 -8.613 -9.750 267 H GLN 37 H GLN 37 0.195 -8.791 -7.799 268 HA GLN 37 HA GLN 37 -0.499 -11.203 -6.557 269 HB2 GLN 37 HB2 GLN 37 1.577 -10.886 -7.826 270 HB3 GLN 37 HB3 GLN 37 2.168 -9.778 -6.600 271 HG2 GLN 37 HG2 GLN 37 3.154 -12.031 -6.450 272 HG3 GLN 37 HG3 GLN 37 2.311 -11.536 -4.982 273 HE21 GLN 37 HE21 GLN 37 2.057 -13.667 -4.315 274 HE22 GLN 37 HE22 GLN 37 0.897 -14.725 -5.055 275 H GLN 38 H GLN 38 0.497 -8.109 -5.247 276 HA GLN 38 HA GLN 38 0.715 -9.014 -2.544 277 HB2 GLN 38 HB2 GLN 38 0.248 -6.196 -3.534 278 HB3 GLN 38 HB3 GLN 38 0.871 -6.668 -1.961 279 HG2 GLN 38 HG2 GLN 38 2.259 -7.086 -4.600 280 HG3 GLN 38 HG3 GLN 38 2.632 -5.833 -3.421 281 HE21 GLN 38 HE21 GLN 38 2.880 -9.192 -4.207 282 HE22 GLN 38 HE22 GLN 38 3.998 -9.613 -2.961 283 H PHE 39 H PHE 39 -1.721 -7.170 -4.348 284 HA PHE 39 HA PHE 39 -3.584 -6.850 -2.288 285 HB2 PHE 39 HB2 PHE 39 -3.715 -5.528 -4.298 286 HB3 PHE 39 HB3 PHE 39 -3.935 -6.964 -5.287 287 HD1 PHE 39 HD1 PHE 39 -5.589 -5.739 -2.168 288 HD2 PHE 39 HD2 PHE 39 -6.022 -6.955 -6.224 289 HE1 PHE 39 HE1 PHE 39 -8.026 -5.473 -1.987 290 HE2 PHE 39 HE2 PHE 39 -8.461 -6.695 -6.045 291 HZ PHE 39 HZ PHE 39 -9.464 -5.934 -3.930 292 H HIS 40 H HIS 40 -3.054 -9.482 -4.519 293 HA HIS 40 HA HIS 40 -5.373 -10.958 -4.265 294 HB2 HIS 40 HB2 HIS 40 -2.751 -11.366 -5.245 295 HB3 HIS 40 HB3 HIS 40 -3.084 -12.711 -4.163 296 HD1 HIS 40 HD1 HIS 40 -3.807 -11.425 -7.541 297 HD2 HIS 40 HD2 HIS 40 -5.354 -14.300 -4.951 298 HE1 HIS 40 HE1 HIS 40 -5.247 -12.919 -8.962 299 HE2 HIS 40 HE2 HIS 40 -5.982 -14.773 -7.417 300 H SER 41 H SER 41 -2.708 -10.631 -2.018 301 HA SER 41 HA SER 41 -3.500 -12.798 -0.334 302 HB2 SER 41 HB2 SER 41 -1.582 -10.535 0.249 303 HB3 SER 41 HB3 SER 41 -1.661 -12.093 1.065 304 HG SER 41 HG SER 41 -0.771 -11.500 -1.550 305 H LEU 42 H LEU 42 -4.535 -9.564 -0.643 306 HA LEU 42 HA LEU 42 -5.042 -8.923 2.082 307 HB2 LEU 42 HB2 LEU 42 -5.825 -7.817 -0.557 308 HB3 LEU 42 HB3 LEU 42 -6.777 -7.341 0.834 309 HG LEU 42 HG LEU 42 -5.013 -5.730 0.282 310 HD11 LEU 42 HD11 LEU 42 -4.126 -5.493 2.545 311 HD12 LEU 42 HD12 LEU 42 -4.647 -7.136 2.916 312 HD13 LEU 42 HD13 LEU 42 -5.843 -5.892 2.555 313 HD21 LEU 42 HD21 LEU 42 -3.122 -7.954 1.029 314 HD22 LEU 42 HD22 LEU 42 -2.673 -6.276 0.721 315 HD23 LEU 42 HD23 LEU 42 -3.332 -7.265 -0.582 316 H LYS 43 H LYS 43 -6.482 -11.130 0.104 317 HA LYS 43 HA LYS 43 -8.335 -12.436 0.220 318 HB2 LYS 43 HB2 LYS 43 -8.795 -11.148 2.917 319 HB3 LYS 43 HB3 LYS 43 -9.524 -12.638 2.336 320 HG2 LYS 43 HG2 LYS 43 -7.369 -13.736 2.347 321 HG3 LYS 43 HG3 LYS 43 -6.579 -12.225 2.813 322 HD2 LYS 43 HD2 LYS 43 -7.945 -12.206 4.883 323 HD3 LYS 43 HD3 LYS 43 -8.593 -13.784 4.431 324 HE2 LYS 43 HE2 LYS 43 -6.354 -14.735 4.500 325 HE3 LYS 43 HE3 LYS 43 -5.680 -13.154 4.893 326 HZ1 LYS 43 HZ1 LYS 43 -7.543 -14.747 6.575 327 HZ2 LYS 43 HZ2 LYS 43 -7.015 -13.180 6.947 328 HZ3 LYS 43 HZ3 LYS 43 -5.898 -14.456 6.880 329 HA PRO 44 HA PRO 44 -10.898 -8.646 -0.909 330 HB2 PRO 44 HB2 PRO 44 -10.908 -9.885 -3.560 331 HB3 PRO 44 HB3 PRO 44 -10.519 -8.227 -3.103 332 HG2 PRO 44 HG2 PRO 44 -8.665 -10.015 -3.942 333 HG3 PRO 44 HG3 PRO 44 -8.298 -8.681 -2.840 334 HD2 PRO 44 HD2 PRO 44 -8.612 -11.583 -2.269 335 HD3 PRO 44 HD3 PRO 44 -7.591 -10.372 -1.473 336 H ILE 45 H ILE 45 -13.021 -8.869 -0.618 337 HA ILE 45 HA ILE 45 -14.234 -11.421 -0.394 338 HB ILE 45 HB ILE 45 -15.038 -9.642 1.003 339 HG12 ILE 45 HG12 ILE 45 -17.144 -10.381 -1.040 340 HG13 ILE 45 HG13 ILE 45 -16.686 -11.345 0.359 341 HG21 ILE 45 HG21 ILE 45 -14.536 -7.752 -0.428 342 HG22 ILE 45 HG22 ILE 45 -16.213 -7.685 0.115 343 HG23 ILE 45 HG23 ILE 45 -15.838 -8.214 -1.526 344 HD11 ILE 45 HD11 ILE 45 -17.972 -8.625 0.419 345 HD12 ILE 45 HD12 ILE 45 -17.493 -9.566 1.832 346 HD13 ILE 45 HD13 ILE 45 -18.758 -10.167 0.759 347 H SER 46 H SER 46 -14.240 -8.961 -2.868 348 HA SER 46 HA SER 46 -15.078 -10.897 -4.838 349 HB2 SER 46 HB2 SER 46 -16.648 -8.325 -4.476 350 HB3 SER 46 HB3 SER 46 -16.918 -9.549 -5.716 351 HG SER 46 HG SER 46 -17.023 -10.891 -3.524 352 H GLY 47 H GLY 47 -14.790 -7.372 -4.465 353 HA2 GLY 47 HA2 GLY 47 -12.340 -7.422 -6.043 354 HA3 GLY 47 HA3 GLY 47 -13.678 -6.480 -6.687 355 H PHE 48 H PHE 48 -13.380 -6.707 -3.262 356 HA PHE 48 HA PHE 48 -11.907 -4.253 -3.010 357 HB2 PHE 48 HB2 PHE 48 -13.727 -3.033 -1.878 358 HB3 PHE 48 HB3 PHE 48 -14.095 -3.355 -3.564 359 HD1 PHE 48 HD1 PHE 48 -15.699 -5.215 -4.116 360 HD2 PHE 48 HD2 PHE 48 -15.133 -3.764 -0.155 361 HE1 PHE 48 HE1 PHE 48 -17.853 -6.203 -3.447 362 HE2 PHE 48 HE2 PHE 48 -17.282 -4.754 0.523 363 HZ PHE 48 HZ PHE 48 -18.644 -5.973 -1.124 364 H ILE 49 H ILE 49 -11.843 -3.545 -0.697 365 HA ILE 49 HA ILE 49 -12.169 -5.722 1.223 366 HB ILE 49 HB ILE 49 -9.900 -5.244 2.167 367 HG12 ILE 49 HG12 ILE 49 -9.438 -3.834 -0.469 368 HG13 ILE 49 HG13 ILE 49 -9.605 -3.031 1.086 369 HG21 ILE 49 HG21 ILE 49 -9.973 -6.330 -0.645 370 HG22 ILE 49 HG22 ILE 49 -10.249 -7.234 0.844 371 HG23 ILE 49 HG23 ILE 49 -8.654 -6.565 0.502 372 HD11 ILE 49 HD11 ILE 49 -7.603 -4.149 1.890 373 HD12 ILE 49 HD12 ILE 49 -7.274 -3.225 0.423 374 HD13 ILE 49 HD13 ILE 49 -7.441 -4.980 0.343 375 H THR 50 H THR 50 -10.893 -4.427 3.365 376 HA THR 50 HA THR 50 -12.117 -1.772 3.502 377 HB THR 50 HB THR 50 -12.499 -3.686 5.800 378 HG1 THR 50 HG1 THR 50 -13.865 -3.591 3.365 379 HG21 THR 50 HG21 THR 50 -14.388 -2.200 6.310 380 HG22 THR 50 HG22 THR 50 -14.015 -1.237 4.880 381 HG23 THR 50 HG23 THR 50 -12.873 -1.300 6.224 382 H GLY 51 H GLY 51 -11.434 -0.695 5.671 383 HA2 GLY 51 HA2 GLY 51 -8.690 -0.383 5.770 384 HA3 GLY 51 HA3 GLY 51 -9.786 0.054 7.069 385 H ASP 52 H ASP 52 -10.721 -2.465 7.786 386 HA ASP 52 HA ASP 52 -8.781 -3.344 9.588 387 HB2 ASP 52 HB2 ASP 52 -11.269 -3.723 9.730 388 HB3 ASP 52 HB3 ASP 52 -11.082 -4.990 8.525 389 H GLN 53 H GLN 53 -9.798 -4.728 6.482 390 HA GLN 53 HA GLN 53 -8.106 -6.959 6.460 391 HB2 GLN 53 HB2 GLN 53 -9.181 -5.325 4.150 392 HB3 GLN 53 HB3 GLN 53 -8.369 -6.873 3.971 393 HG2 GLN 53 HG2 GLN 53 -10.898 -6.446 5.543 394 HG3 GLN 53 HG3 GLN 53 -10.835 -7.012 3.874 395 HE21 GLN 53 HE21 GLN 53 -8.442 -8.620 4.290 396 HE22 GLN 53 HE22 GLN 53 -8.938 -9.997 5.211 397 H ALA 54 H ALA 54 -7.609 -3.642 5.412 398 HA ALA 54 HA ALA 54 -5.144 -3.939 4.141 399 HB1 ALA 54 HB1 ALA 54 -6.160 -1.554 5.684 400 HB2 ALA 54 HB2 ALA 54 -6.511 -1.914 3.994 401 HB3 ALA 54 HB3 ALA 54 -4.859 -1.547 4.492 402 H ARG 55 H ARG 55 -5.823 -2.989 7.511 403 HA ARG 55 HA ARG 55 -3.148 -2.759 8.339 404 HB2 ARG 55 HB2 ARG 55 -5.291 -3.743 10.206 405 HB3 ARG 55 HB3 ARG 55 -3.947 -2.667 10.547 406 HG2 ARG 55 HG2 ARG 55 -5.022 -0.851 9.467 407 HG3 ARG 55 HG3 ARG 55 -6.283 -1.909 8.819 408 HD2 ARG 55 HD2 ARG 55 -6.786 -2.487 11.261 409 HD3 ARG 55 HD3 ARG 55 -5.811 -1.079 11.665 410 HE ARG 55 HE ARG 55 -7.476 0.124 10.122 411 HH11 ARG 55 HH11 ARG 55 -8.263 -2.613 12.161 412 HH12 ARG 55 HH12 ARG 55 -9.909 -2.132 12.400 413 HH21 ARG 55 HH21 ARG 55 -9.664 0.759 10.415 414 HH22 ARG 55 HH22 ARG 55 -10.701 -0.199 11.436 415 H ASN 56 H ASN 56 -5.379 -5.482 8.344 416 HA ASN 56 HA ASN 56 -3.948 -7.289 9.886 417 HB2 ASN 56 HB2 ASN 56 -6.306 -7.539 8.980 418 HB3 ASN 56 HB3 ASN 56 -5.583 -8.036 7.454 419 HD21 ASN 56 HD21 ASN 56 -6.301 -8.912 10.703 420 HD22 ASN 56 HD22 ASN 56 -5.818 -10.578 10.596 421 H PHE 57 H PHE 57 -3.794 -6.764 6.371 422 HA PHE 57 HA PHE 57 -1.800 -8.723 5.884 423 HB2 PHE 57 HB2 PHE 57 -3.217 -7.897 4.092 424 HB3 PHE 57 HB3 PHE 57 -2.558 -6.276 4.289 425 HD1 PHE 57 HD2 PHE 57 -1.914 -9.655 3.049 426 HD2 PHE 57 HD1 PHE 57 -0.365 -5.725 3.506 427 HE1 PHE 57 HE2 PHE 57 -0.119 -10.185 1.453 428 HE2 PHE 57 HE1 PHE 57 1.428 -6.247 1.928 429 HZ PHE 57 HZ PHE 57 1.563 -8.473 0.888 430 H PHE 58 H PHE 58 -1.637 -5.223 6.431 431 HA PHE 58 HA PHE 58 1.123 -4.940 6.017 432 HB2 PHE 58 HB2 PHE 58 -0.550 -3.320 7.953 433 HB3 PHE 58 HB3 PHE 58 0.973 -2.839 7.217 434 HD1 PHE 58 HD1 PHE 58 -0.037 -4.099 4.452 435 HD2 PHE 58 HD2 PHE 58 -1.521 -1.210 7.190 436 HE1 PHE 58 HE1 PHE 58 -1.250 -2.993 2.615 437 HE2 PHE 58 HE2 PHE 58 -2.751 -0.105 5.369 438 HZ PHE 58 HZ PHE 58 -2.616 -0.996 3.077 439 H PHE 59 H PHE 59 -0.723 -5.571 8.964 440 HA PHE 59 HA PHE 59 1.471 -5.650 10.741 441 HB2 PHE 59 HB2 PHE 59 -0.913 -5.410 11.435 442 HB3 PHE 59 HB3 PHE 59 -1.180 -7.087 10.981 443 HD1 PHE 59 HD1 PHE 59 0.878 -4.961 13.227 444 HD2 PHE 59 HD2 PHE 59 -0.856 -8.781 12.524 445 HE1 PHE 59 HE1 PHE 59 1.557 -5.680 15.482 446 HE2 PHE 59 HE2 PHE 59 -0.188 -9.503 14.777 447 HZ PHE 59 HZ PHE 59 1.022 -7.954 16.259 448 H GLN 60 H GLN 60 -0.167 -8.122 8.841 449 HA GLN 60 HA GLN 60 1.142 -10.365 9.927 450 HB2 GLN 60 HB2 GLN 60 -0.931 -10.450 8.579 451 HB3 GLN 60 HB3 GLN 60 -0.002 -10.000 7.155 452 HG2 GLN 60 HG2 GLN 60 1.278 -12.059 7.326 453 HG3 GLN 60 HG3 GLN 60 0.385 -12.505 8.780 454 HE21 GLN 60 HE21 GLN 60 0.249 -12.157 5.327 455 HE22 GLN 60 HE22 GLN 60 -1.229 -13.029 5.092 456 H SER 61 H SER 61 2.141 -7.969 7.661 457 HA SER 61 HA SER 61 4.281 -9.526 6.541 458 HB2 SER 61 HB2 SER 61 3.711 -6.561 6.365 459 HB3 SER 61 HB3 SER 61 4.901 -7.434 5.399 460 HG SER 61 HG SER 61 2.074 -7.765 5.388 461 H GLY 62 H GLY 62 3.834 -7.955 9.456 462 HA2 GLY 62 HA2 GLY 62 5.400 -8.110 11.206 463 HA3 GLY 62 HA3 GLY 62 6.687 -8.243 10.019 464 H LEU 63 H LEU 63 4.150 -5.796 10.229 465 HA LEU 63 HA LEU 63 6.227 -3.822 10.899 466 HB2 LEU 63 HB2 LEU 63 3.888 -3.537 9.018 467 HB3 LEU 63 HB3 LEU 63 4.806 -2.170 9.616 468 HG LEU 63 HG LEU 63 5.945 -4.425 7.952 469 HD11 LEU 63 HD11 LEU 63 5.234 -1.595 7.192 470 HD12 LEU 63 HD12 LEU 63 4.400 -3.057 6.666 471 HD13 LEU 63 HD13 LEU 63 6.064 -2.763 6.162 472 HD21 LEU 63 HD21 LEU 63 7.599 -3.453 9.439 473 HD22 LEU 63 HD22 LEU 63 7.157 -1.831 8.908 474 HD23 LEU 63 HD23 LEU 63 7.910 -2.956 7.776 475 HA PRO 64 HA PRO 64 3.611 -2.772 14.356 476 HB2 PRO 64 HB2 PRO 64 4.885 -0.138 14.346 477 HB3 PRO 64 HB3 PRO 64 4.998 -1.427 15.546 478 HG2 PRO 64 HG2 PRO 64 7.072 -0.754 13.959 479 HG3 PRO 64 HG3 PRO 64 6.798 -2.418 14.508 480 HD2 PRO 64 HD2 PRO 64 6.164 -1.166 11.859 481 HD3 PRO 64 HD3 PRO 64 6.855 -2.766 12.214 482 H GLN 65 H GLN 65 1.992 -1.205 15.014 483 HA GLN 65 HA GLN 65 0.237 -0.616 12.943 484 HB2 GLN 65 HB2 GLN 65 0.295 0.310 15.798 485 HB3 GLN 65 HB3 GLN 65 -0.976 0.805 14.691 486 HG2 GLN 65 HG2 GLN 65 -1.874 -1.029 15.799 487 HG3 GLN 65 HG3 GLN 65 -1.326 -1.694 14.262 488 HE21 GLN 65 HE21 GLN 65 -0.853 -1.591 17.675 489 HE22 GLN 65 HE22 GLN 65 0.277 -2.906 17.770 490 HA PRO 66 HA PRO 66 1.549 4.132 13.329 491 HB2 PRO 66 HB2 PRO 66 4.428 3.602 13.885 492 HB3 PRO 66 HB3 PRO 66 3.407 4.944 14.416 493 HG2 PRO 66 HG2 PRO 66 4.079 3.007 16.109 494 HG3 PRO 66 HG3 PRO 66 2.451 3.713 16.132 495 HD2 PRO 66 HD2 PRO 66 3.366 1.087 15.035 496 HD3 PRO 66 HD3 PRO 66 1.852 1.499 15.867 497 H VAL 67 H VAL 67 3.581 1.475 12.280 498 HA VAL 67 HA VAL 67 4.511 2.816 9.899 499 HB VAL 67 HB VAL 67 4.703 -0.078 10.769 500 HG11 VAL 67 HG11 VAL 67 6.085 1.312 8.480 501 HG12 VAL 67 HG12 VAL 67 4.813 0.099 8.337 502 HG13 VAL 67 HG13 VAL 67 6.379 -0.342 9.018 503 HG21 VAL 67 HG21 VAL 67 5.933 1.468 12.198 504 HG22 VAL 67 HG22 VAL 67 6.744 2.142 10.784 505 HG23 VAL 67 HG23 VAL 67 7.037 0.467 11.254 506 H LEU 68 H LEU 68 2.002 0.528 10.792 507 HA LEU 68 HA LEU 68 1.099 -0.165 8.212 508 HB2 LEU 68 HB2 LEU 68 -0.672 0.167 10.629 509 HB3 LEU 68 HB3 LEU 68 -0.919 -0.895 9.266 510 HG LEU 68 HG LEU 68 1.048 -1.205 11.521 511 HD11 LEU 68 HD11 LEU 68 -1.179 -2.958 10.501 512 HD12 LEU 68 HD12 LEU 68 -1.227 -1.957 11.951 513 HD13 LEU 68 HD13 LEU 68 -0.115 -3.323 11.859 514 HD21 LEU 68 HD21 LEU 68 1.883 -3.202 10.401 515 HD22 LEU 68 HD22 LEU 68 2.198 -1.755 9.443 516 HD23 LEU 68 HD23 LEU 68 0.882 -2.839 8.996 517 H ALA 69 H ALA 69 -0.063 2.257 10.501 518 HA ALA 69 HA ALA 69 -1.913 3.517 8.815 519 HB1 ALA 69 HB1 ALA 69 -1.846 5.366 10.397 520 HB2 ALA 69 HB2 ALA 69 -0.365 4.722 11.105 521 HB3 ALA 69 HB3 ALA 69 -1.874 3.821 11.246 522 H GLN 70 H GLN 70 1.543 3.854 9.119 523 HA GLN 70 HA GLN 70 1.911 6.274 7.746 524 HB2 GLN 70 HB2 GLN 70 3.540 4.503 9.011 525 HB3 GLN 70 HB3 GLN 70 3.916 4.127 7.338 526 HG2 GLN 70 HG2 GLN 70 4.023 6.922 8.411 527 HG3 GLN 70 HG3 GLN 70 5.383 5.811 8.532 528 HE21 GLN 70 HE21 GLN 70 3.449 7.763 6.438 529 HE22 GLN 70 HE22 GLN 70 4.480 7.660 5.048 530 H ILE 71 H ILE 71 1.618 2.938 6.634 531 HA ILE 71 HA ILE 71 2.003 3.508 3.867 532 HB ILE 71 HB ILE 71 0.682 1.177 5.269 533 HG12 ILE 71 HG12 ILE 71 3.255 1.067 3.749 534 HG13 ILE 71 HG13 ILE 71 3.254 1.736 5.374 535 HG21 ILE 71 HG21 ILE 71 1.381 1.461 2.347 536 HG22 ILE 71 HG22 ILE 71 -0.246 1.406 3.027 537 HG23 ILE 71 HG23 ILE 71 0.802 -0.009 3.131 538 HD11 ILE 71 HD11 ILE 71 3.857 -0.609 5.389 539 HD12 ILE 71 HD12 ILE 71 2.344 -1.020 4.582 540 HD13 ILE 71 HD13 ILE 71 2.321 -0.363 6.219 541 H TRP 72 H TRP 72 -0.842 3.090 5.924 542 HA TRP 72 HA TRP 72 -2.744 3.294 3.848 543 HB2 TRP 72 HB2 TRP 72 -3.189 2.278 6.055 544 HB3 TRP 72 HB3 TRP 72 -3.099 3.874 6.790 545 HD1 TRP 72 HD1 TRP 72 -4.963 3.321 3.478 546 HE1 TRP 72 HE1 TRP 72 -7.474 3.747 3.882 547 HE3 TRP 72 HE3 TRP 72 -4.875 3.883 8.541 548 HZ2 TRP 72 HZ2 TRP 72 -9.188 4.223 6.063 549 HZ3 TRP 72 HZ3 TRP 72 -6.997 4.297 9.726 550 HH2 TRP 72 HH2 TRP 72 -9.108 4.467 8.503 551 H ALA 73 H ALA 73 -1.280 5.701 5.991 552 HA ALA 73 HA ALA 73 -3.033 7.817 5.424 553 HB1 ALA 73 HB1 ALA 73 -1.443 7.868 7.284 554 HB2 ALA 73 HB2 ALA 73 -1.265 9.289 6.257 555 HB3 ALA 73 HB3 ALA 73 -0.102 7.968 6.143 556 H LEU 74 H LEU 74 -0.316 6.497 3.703 557 HA LEU 74 HA LEU 74 -0.195 8.603 1.742 558 HB2 LEU 74 HB2 LEU 74 1.143 5.941 2.105 559 HB3 LEU 74 HB3 LEU 74 1.288 6.813 0.593 560 HG LEU 74 HG LEU 74 2.028 8.091 3.213 561 HD11 LEU 74 HD11 LEU 74 3.840 6.540 1.367 562 HD12 LEU 74 HD12 LEU 74 3.329 6.018 2.973 563 HD13 LEU 74 HD13 LEU 74 4.331 7.459 2.790 564 HD21 LEU 74 HD21 LEU 74 1.693 9.548 1.285 565 HD22 LEU 74 HD22 LEU 74 2.843 8.587 0.355 566 HD23 LEU 74 HD23 LEU 74 3.389 9.497 1.764 567 H ALA 75 H ALA 75 -1.464 5.333 1.989 568 HA ALA 75 HA ALA 75 -2.116 4.960 -0.725 569 HB1 ALA 75 HB1 ALA 75 -1.865 3.111 0.829 570 HB2 ALA 75 HB2 ALA 75 -3.461 3.074 0.079 571 HB3 ALA 75 HB3 ALA 75 -3.276 3.659 1.732 572 H ASP 76 H ASP 76 -4.112 5.985 2.038 573 HA ASP 76 HA ASP 76 -6.498 6.137 0.445 574 HB2 ASP 76 HB2 ASP 76 -6.376 5.620 2.935 575 HB3 ASP 76 HB3 ASP 76 -6.070 7.332 3.187 576 H MET 77 H MET 77 -5.541 7.480 -1.199 577 HA MET 77 HA MET 77 -4.575 10.093 -0.717 578 HB2 MET 77 HB2 MET 77 -5.603 8.810 -3.252 579 HB3 MET 77 HB3 MET 77 -4.803 10.375 -3.185 580 HG2 MET 77 HG2 MET 77 -2.791 9.297 -2.298 581 HG3 MET 77 HG3 MET 77 -3.596 7.731 -2.401 582 HE1 MET 77 HE1 MET 77 -5.226 7.959 -5.092 583 HE2 MET 77 HE2 MET 77 -4.269 6.547 -4.650 584 HE3 MET 77 HE3 MET 77 -4.077 7.279 -6.243 585 H ASN 78 H ASN 78 -7.750 8.882 -1.714 586 HA ASN 78 HA ASN 78 -8.819 11.577 -1.872 587 HB2 ASN 78 HB2 ASN 78 -10.934 10.514 -2.457 588 HB3 ASN 78 HB3 ASN 78 -9.636 9.802 -3.408 589 HD21 ASN 78 HD21 ASN 78 -12.281 8.758 -2.679 590 HD22 ASN 78 HD22 ASN 78 -11.967 7.249 -1.888 591 H ASN 79 H ASN 79 -8.110 9.399 0.478 592 HA ASN 79 HA ASN 79 -8.684 8.976 2.603 593 HB2 ASN 79 HB2 ASN 79 -7.924 11.342 2.794 594 HB3 ASN 79 HB3 ASN 79 -9.604 11.850 2.651 595 HD21 ASN 79 HD21 ASN 79 -8.588 8.945 4.339 596 HD22 ASN 79 HD22 ASN 79 -8.994 9.517 5.931 597 H ASP 80 H ASP 80 -10.307 7.599 1.605 598 HA ASP 80 HA ASP 80 -13.068 8.477 2.056 599 HB2 ASP 80 HB2 ASP 80 -12.785 7.367 -0.040 600 HB3 ASP 80 HB3 ASP 80 -11.854 6.066 0.696 601 H GLY 81 H GLY 81 -10.538 6.569 3.405 602 HA2 GLY 81 HA2 GLY 81 -10.495 5.720 5.594 603 HA3 GLY 81 HA3 GLY 81 -12.245 5.868 5.669 604 H ARG 82 H ARG 82 -12.443 4.510 3.009 605 HA ARG 82 HA ARG 82 -11.840 1.766 3.889 606 HB2 ARG 82 HB2 ARG 82 -14.091 2.762 2.140 607 HB3 ARG 82 HB3 ARG 82 -13.677 1.065 2.303 608 HG2 ARG 82 HG2 ARG 82 -15.515 1.439 3.720 609 HG3 ARG 82 HG3 ARG 82 -14.112 1.320 4.777 610 HD2 ARG 82 HD2 ARG 82 -15.721 3.158 5.341 611 HD3 ARG 82 HD3 ARG 82 -14.051 3.671 5.100 612 HE ARG 82 HE ARG 82 -14.784 4.356 2.807 613 HH11 ARG 82 HH11 ARG 82 -17.110 4.152 5.431 614 HH12 ARG 82 HH12 ARG 82 -18.164 5.357 4.748 615 HH21 ARG 82 HH21 ARG 82 -16.127 5.972 1.951 616 HH22 ARG 82 HH22 ARG 82 -17.582 6.423 2.797 617 H MET 83 H MET 83 -11.985 4.006 1.237 618 HA MET 83 HA MET 83 -10.831 4.270 -0.696 619 HB2 MET 83 HB2 MET 83 -8.603 3.829 -0.675 620 HB3 MET 83 HB3 MET 83 -8.915 3.512 1.023 621 HG2 MET 83 HG2 MET 83 -9.166 1.092 0.437 622 HG3 MET 83 HG3 MET 83 -8.625 1.497 -1.190 623 HE1 MET 83 HE1 MET 83 -6.105 1.511 2.642 624 HE2 MET 83 HE2 MET 83 -7.678 0.739 2.435 625 HE3 MET 83 HE3 MET 83 -7.558 2.498 2.486 626 H ASP 84 H ASP 84 -10.078 3.052 -2.724 627 HA ASP 84 HA ASP 84 -11.018 0.287 -2.765 628 HB2 ASP 84 HB2 ASP 84 -12.029 0.477 -4.924 629 HB3 ASP 84 HB3 ASP 84 -12.730 1.720 -3.903 630 H GLN 85 H GLN 85 -10.254 -0.465 -5.239 631 HA GLN 85 HA GLN 85 -7.596 -1.034 -4.712 632 HB2 GLN 85 HB2 GLN 85 -8.964 -1.337 -7.378 633 HB3 GLN 85 HB3 GLN 85 -7.589 -2.256 -6.773 634 HG2 GLN 85 HG2 GLN 85 -10.461 -2.406 -5.969 635 HG3 GLN 85 HG3 GLN 85 -9.364 -3.700 -6.447 636 HE21 GLN 85 HE21 GLN 85 -11.071 -3.416 -4.078 637 HE22 GLN 85 HE22 GLN 85 -10.014 -3.561 -2.714 638 H VAL 86 H VAL 86 -8.857 1.699 -6.450 639 HA VAL 86 HA VAL 86 -6.494 2.265 -7.934 640 HB VAL 86 HB VAL 86 -8.617 4.168 -6.905 641 HG11 VAL 86 HG11 VAL 86 -7.774 5.750 -8.560 642 HG12 VAL 86 HG12 VAL 86 -6.497 4.617 -9.003 643 HG13 VAL 86 HG13 VAL 86 -6.519 5.333 -7.391 644 HG21 VAL 86 HG21 VAL 86 -9.468 4.085 -9.207 645 HG22 VAL 86 HG22 VAL 86 -9.512 2.501 -8.431 646 HG23 VAL 86 HG23 VAL 86 -8.249 2.874 -9.604 647 H GLU 87 H GLU 87 -7.727 3.636 -4.893 648 HA GLU 87 HA GLU 87 -5.338 4.939 -4.165 649 HB2 GLU 87 HB2 GLU 87 -7.823 4.110 -2.720 650 HB3 GLU 87 HB3 GLU 87 -6.455 4.692 -1.791 651 HG2 GLU 87 HG2 GLU 87 -8.061 6.461 -2.241 652 HG3 GLU 87 HG3 GLU 87 -6.504 6.800 -2.991 653 H PHE 88 H PHE 88 -6.530 1.687 -3.599 654 HA PHE 88 HA PHE 88 -4.604 1.063 -1.594 655 HB2 PHE 88 HB2 PHE 88 -6.831 -0.079 -1.900 656 HB3 PHE 88 HB3 PHE 88 -6.133 -0.911 -3.288 657 HD1 PHE 88 HD1 PHE 88 -5.418 -0.240 0.298 658 HD2 PHE 88 HD2 PHE 88 -5.167 -2.973 -2.948 659 HE1 PHE 88 HE1 PHE 88 -4.491 -1.942 1.812 660 HE2 PHE 88 HE2 PHE 88 -4.235 -4.677 -1.443 661 HZ PHE 88 HZ PHE 88 -3.897 -4.161 0.939 662 H SER 89 H SER 89 -4.611 0.919 -5.068 663 HA SER 89 HA SER 89 -2.691 -1.021 -5.559 664 HB2 SER 89 HB2 SER 89 -4.072 0.125 -7.294 665 HB3 SER 89 HB3 SER 89 -3.055 1.553 -7.111 666 HG SER 89 HG SER 89 -2.539 -0.037 -8.854 667 H ILE 90 H ILE 90 -2.284 2.353 -4.605 668 HA ILE 90 HA ILE 90 0.521 2.394 -5.180 669 HB ILE 90 HB ILE 90 -0.965 4.419 -5.208 670 HG12 ILE 90 HG12 ILE 90 1.411 4.681 -3.357 671 HG13 ILE 90 HG13 ILE 90 1.539 4.513 -5.105 672 HG21 ILE 90 HG21 ILE 90 -1.400 5.571 -3.095 673 HG22 ILE 90 HG22 ILE 90 -0.747 4.190 -2.213 674 HG23 ILE 90 HG23 ILE 90 -2.214 4.008 -3.174 675 HD11 ILE 90 HD11 ILE 90 0.326 6.597 -5.409 676 HD12 ILE 90 HD12 ILE 90 1.750 6.834 -4.396 677 HD13 ILE 90 HD13 ILE 90 0.148 6.760 -3.661 678 H ALA 91 H ALA 91 -1.395 1.389 -2.509 679 HA ALA 91 HA ALA 91 0.605 1.715 -0.484 680 HB1 ALA 91 HB1 ALA 91 -1.881 0.006 -0.480 681 HB2 ALA 91 HB2 ALA 91 -1.784 1.686 0.048 682 HB3 ALA 91 HB3 ALA 91 -0.908 0.433 0.927 683 H MET 92 H MET 92 -0.280 -0.785 -2.736 684 HA MET 92 HA MET 92 0.848 -2.959 -1.305 685 HB2 MET 92 HB2 MET 92 0.028 -2.652 -4.184 686 HB3 MET 92 HB3 MET 92 0.623 -4.162 -3.508 687 HG2 MET 92 HG2 MET 92 -1.763 -2.693 -2.419 688 HG3 MET 92 HG3 MET 92 -1.871 -3.930 -3.667 689 HE1 MET 92 HE1 MET 92 -0.767 -4.647 0.765 690 HE2 MET 92 HE2 MET 92 -1.490 -3.171 0.127 691 HE3 MET 92 HE3 MET 92 0.186 -3.566 -0.254 692 H LYS 93 H LYS 93 2.362 -0.470 -2.970 693 HA LYS 93 HA LYS 93 4.698 -2.164 -3.524 694 HB2 LYS 93 HB2 LYS 93 5.518 -0.399 -4.956 695 HB3 LYS 93 HB3 LYS 93 3.873 -0.808 -5.412 696 HG2 LYS 93 HG2 LYS 93 3.708 1.442 -5.488 697 HG3 LYS 93 HG3 LYS 93 3.317 1.207 -3.784 698 HD2 LYS 93 HD2 LYS 93 4.890 2.884 -3.660 699 HD3 LYS 93 HD3 LYS 93 5.897 1.455 -3.455 700 HE2 LYS 93 HE2 LYS 93 5.481 2.987 -6.020 701 HE3 LYS 93 HE3 LYS 93 6.915 3.043 -5.003 702 HZ1 LYS 93 HZ1 LYS 93 5.918 0.716 -6.564 703 HZ2 LYS 93 HZ2 LYS 93 7.200 0.638 -5.459 704 HZ3 LYS 93 HZ3 LYS 93 7.332 1.613 -6.834 705 H LEU 94 H LEU 94 3.455 0.078 -1.320 706 HA LEU 94 HA LEU 94 5.934 1.232 -0.481 707 HB2 LEU 94 HB2 LEU 94 3.483 2.101 -0.213 708 HB3 LEU 94 HB3 LEU 94 3.476 1.094 1.214 709 HG LEU 94 HG LEU 94 5.495 2.323 1.996 710 HD11 LEU 94 HD11 LEU 94 5.967 4.506 1.007 711 HD12 LEU 94 HD12 LEU 94 4.799 4.172 -0.270 712 HD13 LEU 94 HD13 LEU 94 6.261 3.196 -0.137 713 HD21 LEU 94 HD21 LEU 94 3.000 3.930 1.533 714 HD22 LEU 94 HD22 LEU 94 4.237 4.280 2.739 715 HD23 LEU 94 HD23 LEU 94 3.280 2.804 2.860 716 H ILE 95 H ILE 95 3.952 -1.479 0.333 717 HA ILE 95 HA ILE 95 4.887 -2.217 2.835 718 HB ILE 95 HB ILE 95 4.334 -4.234 0.662 719 HG12 ILE 95 HG12 ILE 95 2.550 -2.558 0.571 720 HG13 ILE 95 HG13 ILE 95 1.949 -4.082 1.214 721 HG21 ILE 95 HG21 ILE 95 5.117 -5.128 2.778 722 HG22 ILE 95 HG22 ILE 95 3.428 -5.560 2.515 723 HG23 ILE 95 HG23 ILE 95 3.843 -4.262 3.636 724 HD11 ILE 95 HD11 ILE 95 1.039 -2.210 2.434 725 HD12 ILE 95 HD12 ILE 95 2.664 -1.639 2.813 726 HD13 ILE 95 HD13 ILE 95 2.090 -3.170 3.475 727 H LYS 96 H LYS 96 6.118 -3.122 -0.354 728 HA LYS 96 HA LYS 96 8.241 -4.738 0.393 729 HB2 LYS 96 HB2 LYS 96 7.495 -4.550 -1.910 730 HB3 LYS 96 HB3 LYS 96 7.978 -2.861 -1.964 731 HG2 LYS 96 HG2 LYS 96 9.599 -4.176 -3.126 732 HG3 LYS 96 HG3 LYS 96 10.325 -3.562 -1.639 733 HD2 LYS 96 HD2 LYS 96 9.900 -5.726 -0.555 734 HD3 LYS 96 HD3 LYS 96 9.213 -6.336 -2.062 735 HE2 LYS 96 HE2 LYS 96 11.383 -5.880 -3.170 736 HE3 LYS 96 HE3 LYS 96 12.046 -5.422 -1.602 737 HZ1 LYS 96 HZ1 LYS 96 10.980 -8.088 -2.354 738 HZ2 LYS 96 HZ2 LYS 96 11.514 -7.661 -0.797 739 HZ3 LYS 96 HZ3 LYS 96 12.609 -7.685 -2.096 740 H LEU 97 H LEU 97 8.221 -1.241 -0.195 741 HA LEU 97 HA LEU 97 10.986 -0.905 0.306 742 HB2 LEU 97 HB2 LEU 97 9.568 0.639 -1.050 743 HB3 LEU 97 HB3 LEU 97 8.820 1.190 0.438 744 HG LEU 97 HG LEU 97 11.049 1.977 1.221 745 HD11 LEU 97 HD11 LEU 97 12.440 0.479 -0.108 746 HD12 LEU 97 HD12 LEU 97 12.867 2.166 -0.398 747 HD13 LEU 97 HD13 LEU 97 11.907 1.281 -1.585 748 HD21 LEU 97 HD21 LEU 97 10.120 3.098 -1.418 749 HD22 LEU 97 HD22 LEU 97 11.150 3.926 -0.250 750 HD23 LEU 97 HD23 LEU 97 9.486 3.519 0.172 751 H LYS 98 H LYS 98 8.095 -0.409 2.322 752 HA LYS 98 HA LYS 98 9.602 0.709 4.474 753 HB2 LYS 98 HB2 LYS 98 6.780 -0.343 4.363 754 HB3 LYS 98 HB3 LYS 98 7.487 0.379 5.802 755 HG2 LYS 98 HG2 LYS 98 7.964 2.421 4.375 756 HG3 LYS 98 HG3 LYS 98 6.916 1.685 3.160 757 HD2 LYS 98 HD2 LYS 98 5.626 3.232 4.489 758 HD3 LYS 98 HD3 LYS 98 5.104 1.586 4.841 759 HE2 LYS 98 HE2 LYS 98 5.267 2.836 6.895 760 HE3 LYS 98 HE3 LYS 98 6.520 1.598 6.859 761 HZ1 LYS 98 HZ1 LYS 98 7.360 3.724 7.670 762 HZ2 LYS 98 HZ2 LYS 98 6.924 4.468 6.211 763 HZ3 LYS 98 HZ3 LYS 98 8.129 3.274 6.223 764 H LEU 99 H LEU 99 8.646 -2.545 3.617 765 HA LEU 99 HA LEU 99 9.316 -3.726 6.112 766 HB2 LEU 99 HB2 LEU 99 9.024 -4.778 3.329 767 HB3 LEU 99 HB3 LEU 99 9.684 -5.802 4.586 768 HG LEU 99 HG LEU 99 6.960 -4.502 4.656 769 HD11 LEU 99 HD11 LEU 99 6.105 -6.761 4.305 770 HD12 LEU 99 HD12 LEU 99 7.754 -7.367 4.146 771 HD13 LEU 99 HD13 LEU 99 7.108 -6.242 2.951 772 HD21 LEU 99 HD21 LEU 99 6.588 -5.959 6.588 773 HD22 LEU 99 HD22 LEU 99 7.903 -4.820 6.875 774 HD23 LEU 99 HD23 LEU 99 8.261 -6.506 6.497 775 H GLN 100 H GLN 100 11.210 -2.389 3.616 776 HA GLN 100 HA GLN 100 13.609 -3.850 4.397 777 HB2 GLN 100 HB2 GLN 100 13.175 -1.665 2.351 778 HB3 GLN 100 HB3 GLN 100 14.716 -2.457 2.651 779 HG2 GLN 100 HG2 GLN 100 13.724 -4.604 2.001 780 HG3 GLN 100 HG3 GLN 100 12.201 -3.783 1.664 781 HE21 GLN 100 HE21 GLN 100 13.956 -5.318 -0.111 782 HE22 GLN 100 HE22 GLN 100 14.352 -4.244 -1.415 783 H GLY 101 H GLY 101 11.876 -1.267 5.515 784 HA2 GLY 101 HA2 GLY 101 12.505 -0.109 7.482 785 HA3 GLY 101 HA3 GLY 101 14.193 -0.341 7.052 786 H TYR 102 H TYR 102 11.389 1.121 5.387 787 HA TYR 102 HA TYR 102 12.879 3.643 5.289 788 HB2 TYR 102 HB2 TYR 102 11.485 2.330 2.953 789 HB3 TYR 102 HB3 TYR 102 12.055 3.991 2.960 790 HD1 TYR 102 HD1 TYR 102 13.073 0.475 2.868 791 HD2 TYR 102 HD2 TYR 102 14.418 4.508 2.839 792 HE1 TYR 102 HE1 TYR 102 15.297 -0.281 2.150 793 HE2 TYR 102 HE2 TYR 102 16.648 3.762 2.117 794 HH TYR 102 HH TYR 102 18.020 1.676 2.272 795 H GLN 103 H GLN 103 11.519 5.508 4.790 796 HA GLN 103 HA GLN 103 8.678 5.254 5.218 797 HB2 GLN 103 HB2 GLN 103 8.701 6.746 7.225 798 HB3 GLN 103 HB3 GLN 103 9.372 5.149 7.514 799 HG2 GLN 103 HG2 GLN 103 11.649 6.161 7.176 800 HG3 GLN 103 HG3 GLN 103 10.861 7.737 7.184 801 HE21 GLN 103 HE21 GLN 103 11.901 8.416 9.026 802 HE22 GLN 103 HE22 GLN 103 11.548 7.773 10.593 803 H LEU 104 H LEU 104 7.544 7.223 4.841 804 HA LEU 104 HA LEU 104 9.035 9.492 3.792 805 HB2 LEU 104 HB2 LEU 104 8.823 7.815 1.931 806 HB3 LEU 104 HB3 LEU 104 7.082 7.947 2.073 807 HG LEU 104 HG LEU 104 7.381 10.435 1.556 808 HD11 LEU 104 HD11 LEU 104 9.786 10.537 2.004 809 HD12 LEU 104 HD12 LEU 104 9.404 11.051 0.361 810 HD13 LEU 104 HD13 LEU 104 10.082 9.448 0.648 811 HD21 LEU 104 HD21 LEU 104 7.508 10.024 -0.851 812 HD22 LEU 104 HD22 LEU 104 6.474 8.844 -0.047 813 HD23 LEU 104 HD23 LEU 104 8.105 8.393 -0.542 814 HA PRO 105 HA PRO 105 5.519 11.701 5.497 815 HB2 PRO 105 HB2 PRO 105 5.907 13.472 3.134 816 HB3 PRO 105 HB3 PRO 105 5.786 13.892 4.845 817 HG2 PRO 105 HG2 PRO 105 8.140 13.926 3.618 818 HG3 PRO 105 HG3 PRO 105 7.991 13.322 5.280 819 HD2 PRO 105 HD2 PRO 105 8.307 11.801 2.727 820 HD3 PRO 105 HD3 PRO 105 8.986 11.466 4.333 821 H SER 106 H SER 106 3.360 12.515 4.790 822 HA SER 106 HA SER 106 2.118 10.451 3.266 823 HB2 SER 106 HB2 SER 106 0.020 11.698 3.819 824 HB3 SER 106 HB3 SER 106 1.017 11.285 5.209 825 HG SER 106 HG SER 106 0.420 13.772 4.119 826 H ALA 107 H ALA 107 3.676 13.097 2.255 827 HA ALA 107 HA ALA 107 1.901 13.800 0.071 828 HB1 ALA 107 HB1 ALA 107 4.702 14.748 0.660 829 HB2 ALA 107 HB2 ALA 107 3.216 15.544 1.175 830 HB3 ALA 107 HB3 ALA 107 3.600 15.426 -0.542 831 H LEU 108 H LEU 108 1.791 12.442 -1.608 832 HA LEU 108 HA LEU 108 3.912 10.618 -2.238 833 HB2 LEU 108 HB2 LEU 108 1.287 11.273 -3.543 834 HB3 LEU 108 HB3 LEU 108 2.452 10.239 -4.342 835 HG LEU 108 HG LEU 108 0.900 8.806 -3.302 836 HD11 LEU 108 HD11 LEU 108 2.248 7.621 -1.622 837 HD12 LEU 108 HD12 LEU 108 3.355 8.994 -1.572 838 HD13 LEU 108 HD13 LEU 108 3.171 8.062 -3.058 839 HD21 LEU 108 HD21 LEU 108 1.290 10.382 -0.769 840 HD22 LEU 108 HD22 LEU 108 0.300 8.933 -0.943 841 HD23 LEU 108 HD23 LEU 108 -0.136 10.407 -1.806 842 HA PRO 109 HA PRO 109 6.136 13.159 -5.166 843 HB2 PRO 109 HB2 PRO 109 7.219 11.141 -6.662 844 HB3 PRO 109 HB3 PRO 109 7.869 11.654 -5.101 845 HG2 PRO 109 HG2 PRO 109 6.101 9.333 -5.751 846 HG3 PRO 109 HG3 PRO 109 7.474 9.420 -4.632 847 HD2 PRO 109 HD2 PRO 109 4.907 9.506 -3.791 848 HD3 PRO 109 HD3 PRO 109 6.211 10.373 -2.957 849 HA PRO 110 HA PRO 110 3.367 13.469 -8.568 850 HB2 PRO 110 HB2 PRO 110 4.987 14.556 -10.472 851 HB3 PRO 110 HB3 PRO 110 4.352 15.469 -9.099 852 HG2 PRO 110 HG2 PRO 110 7.046 14.204 -9.448 853 HG3 PRO 110 HG3 PRO 110 6.636 15.798 -8.787 854 HD2 PRO 110 HD2 PRO 110 7.222 13.700 -7.201 855 HD3 PRO 110 HD3 PRO 110 6.031 14.930 -6.733 856 H VAL 111 H VAL 111 6.194 11.547 -8.767 857 HA VAL 111 HA VAL 111 5.770 10.611 -11.448 858 HB VAL 111 HB VAL 111 7.534 9.343 -9.356 859 HG11 VAL 111 HG11 VAL 111 8.832 8.597 -11.297 860 HG12 VAL 111 HG12 VAL 111 7.651 9.352 -12.367 861 HG13 VAL 111 HG13 VAL 111 7.175 7.997 -11.343 862 HG21 VAL 111 HG21 VAL 111 8.106 11.689 -9.465 863 HG22 VAL 111 HG22 VAL 111 8.181 11.616 -11.226 864 HG23 VAL 111 HG23 VAL 111 9.360 10.734 -10.256 865 H MET 112 H MET 112 5.074 9.454 -8.194 866 HA MET 112 HA MET 112 4.366 6.813 -8.810 867 HB2 MET 112 HB2 MET 112 3.642 8.678 -6.578 868 HB3 MET 112 HB3 MET 112 2.851 7.114 -6.702 869 HG2 MET 112 HG2 MET 112 5.807 7.600 -6.425 870 HG3 MET 112 HG3 MET 112 4.714 7.025 -5.168 871 HE1 MET 112 HE1 MET 112 3.580 3.580 -6.839 872 HE2 MET 112 HE2 MET 112 2.876 5.149 -7.230 873 HE3 MET 112 HE3 MET 112 3.231 4.735 -5.553 874 H LYS 113 H LYS 113 2.443 9.754 -8.693 875 HA LYS 113 HA LYS 113 0.037 8.314 -9.465 876 HB2 LYS 113 HB2 LYS 113 -1.066 10.509 -9.198 877 HB3 LYS 113 HB3 LYS 113 -0.168 10.039 -7.759 878 HG2 LYS 113 HG2 LYS 113 1.640 11.520 -8.351 879 HG3 LYS 113 HG3 LYS 113 0.844 11.931 -9.873 880 HD2 LYS 113 HD2 LYS 113 -0.260 12.475 -7.118 881 HD3 LYS 113 HD3 LYS 113 0.545 13.660 -8.145 882 HE2 LYS 113 HE2 LYS 113 -1.984 12.177 -8.845 883 HE3 LYS 113 HE3 LYS 113 -1.914 13.831 -8.242 884 HZ1 LYS 113 HZ1 LYS 113 -2.137 13.623 -10.697 885 HZ2 LYS 113 HZ2 LYS 113 -0.586 12.940 -10.748 886 HZ3 LYS 113 HZ3 LYS 113 -0.795 14.532 -10.204 887 H GLN 114 H GLN 114 2.621 9.935 -10.880 888 HA GLN 114 HA GLN 114 3.128 10.756 -12.917 889 HB2 GLN 114 HB2 GLN 114 0.687 9.176 -13.743 890 HB3 GLN 114 HB3 GLN 114 1.794 9.950 -14.865 891 HG2 GLN 114 HG2 GLN 114 3.621 8.552 -13.971 892 HG3 GLN 114 HG3 GLN 114 2.446 7.724 -12.951 893 HE21 GLN 114 HE21 GLN 114 4.157 6.728 -15.129 894 HE22 GLN 114 HE22 GLN 114 3.090 5.985 -16.272 895 H GLN 115 H GLN 115 2.156 12.060 -14.816 896 HA GLN 115 HA GLN 115 -0.143 13.649 -13.912 897 HB2 GLN 115 HB2 GLN 115 2.068 14.894 -13.829 898 HB3 GLN 115 HB3 GLN 115 2.150 14.715 -15.578 899 HG2 GLN 115 HG2 GLN 115 0.155 16.019 -15.861 900 HG3 GLN 115 HG3 GLN 115 -0.102 16.076 -14.118 901 HE21 GLN 115 HE21 GLN 115 -0.062 18.282 -14.000 902 HE22 GLN 115 HE22 GLN 115 1.379 19.217 -14.235 903 HA PRO 116 HA PRO 116 -1.710 11.294 -17.398 904 HB2 PRO 116 HB2 PRO 116 -3.836 13.358 -17.016 905 HB3 PRO 116 HB3 PRO 116 -3.993 11.614 -17.268 906 HG2 PRO 116 HG2 PRO 116 -4.264 12.634 -14.849 907 HG3 PRO 116 HG3 PRO 116 -3.391 11.113 -15.080 908 HD2 PRO 116 HD2 PRO 116 -2.341 13.839 -14.493 909 HD3 PRO 116 HD3 PRO 116 -1.717 12.255 -13.989 910 H VAL 117 H VAL 117 -0.931 11.594 -19.313 911 HA VAL 117 HA VAL 117 -0.552 14.243 -20.396 912 HB VAL 117 HB VAL 117 0.404 13.008 -22.394 913 HG11 VAL 117 HG11 VAL 117 2.506 12.509 -21.247 914 HG12 VAL 117 HG12 VAL 117 1.667 12.535 -19.696 915 HG13 VAL 117 HG13 VAL 117 1.793 14.010 -20.655 916 HG21 VAL 117 HG21 VAL 117 0.148 10.655 -20.520 917 HG22 VAL 117 HG22 VAL 117 1.079 10.668 -22.018 918 HG23 VAL 117 HG23 VAL 117 -0.675 10.851 -22.069 919 H ALA 118 H ALA 118 -2.308 15.182 -21.043 920 HA ALA 118 HA ALA 118 -3.796 14.301 -23.298 921 HB1 ALA 118 HB1 ALA 118 -4.795 12.785 -21.644 922 HB2 ALA 118 HB2 ALA 118 -5.968 13.975 -22.210 923 HB3 ALA 118 HB3 ALA 118 -5.212 14.167 -20.629 924 H ILE 119 H ILE 119 -2.334 16.584 -22.347 925 HA ILE 119 HA ILE 119 -3.829 18.635 -21.257 926 HB ILE 119 HB ILE 119 -1.479 18.904 -21.402 927 HG12 ILE 119 HG12 ILE 119 -2.764 20.884 -23.295 928 HG13 ILE 119 HG13 ILE 119 -2.807 20.975 -21.537 929 HG21 ILE 119 HG21 ILE 119 -1.034 17.557 -23.369 930 HG22 ILE 119 HG22 ILE 119 -0.256 19.134 -23.512 931 HG23 ILE 119 HG23 ILE 119 -1.743 18.800 -24.402 932 HD11 ILE 119 HD11 ILE 119 -0.374 21.222 -21.502 933 HD12 ILE 119 HD12 ILE 119 -1.155 22.490 -22.445 934 HD13 ILE 119 HD13 ILE 119 -0.348 21.153 -23.264 935 H SER 120 H SER 120 -5.679 19.366 -21.895 936 HA SER 120 HA SER 120 -6.014 20.447 -24.560 937 HB2 SER 120 HB2 SER 120 -7.888 18.321 -23.471 938 HB3 SER 120 HB3 SER 120 -8.156 19.258 -24.941 939 HG SER 120 HG SER 120 -5.709 18.122 -24.973 940 H SER 121 H SER 121 -8.638 21.136 -24.488 941 HA SER 121 HA SER 121 -8.779 22.786 -22.071 942 HB2 SER 121 HB2 SER 121 -10.535 24.036 -23.484 943 HB3 SER 121 HB3 SER 121 -8.846 24.172 -23.977 944 HG SER 121 HG SER 121 -10.804 22.432 -25.077 Start of MODEL 6 1 H1 MET 1 H1 MET 1 13.271 13.274 -5.357 2 H2 MET 1 H2 MET 1 12.719 12.990 -3.778 3 H3 MET 1 H3 MET 1 13.018 14.575 -4.297 4 HA MET 1 HA MET 1 11.242 14.347 -5.957 5 HB2 MET 1 HB2 MET 1 10.683 11.776 -4.467 6 HB3 MET 1 HB3 MET 1 9.706 12.454 -5.762 7 HG2 MET 1 HG2 MET 1 11.528 12.133 -7.330 8 HG3 MET 1 HG3 MET 1 12.549 11.502 -6.037 9 HE1 MET 1 HE1 MET 1 11.849 8.301 -8.141 10 HE2 MET 1 HE2 MET 1 13.082 9.269 -7.334 11 HE3 MET 1 HE3 MET 1 12.183 9.944 -8.692 12 H GLY 2 H GLY 2 11.881 15.569 -3.375 13 HA2 GLY 2 HA2 GLY 2 9.552 15.223 -1.692 14 HA3 GLY 2 HA3 GLY 2 10.893 16.324 -1.416 15 H HIS 3 H HIS 3 8.410 15.923 -3.945 16 HA HIS 3 HA HIS 3 7.935 18.824 -3.813 17 HB2 HIS 3 HB2 HIS 3 8.541 17.765 -6.027 18 HB3 HIS 3 HB3 HIS 3 7.017 16.890 -5.956 19 HD1 HIS 3 HD1 HIS 3 6.297 18.094 -8.163 20 HD2 HIS 3 HD2 HIS 3 6.930 20.631 -4.924 21 HE1 HIS 3 HE1 HIS 3 5.259 20.293 -8.809 22 HE2 HIS 3 HE2 HIS 3 5.832 21.864 -6.923 23 H HIS 4 H HIS 4 6.480 19.135 -2.235 24 HA HIS 4 HA HIS 4 4.436 17.176 -1.667 25 HB2 HIS 4 HB2 HIS 4 5.694 18.441 0.101 26 HB3 HIS 4 HB3 HIS 4 4.851 19.896 -0.410 27 HD1 HIS 4 HD1 HIS 4 4.596 17.069 1.865 28 HD2 HIS 4 HD2 HIS 4 1.934 19.693 0.022 29 HE1 HIS 4 HE1 HIS 4 2.451 16.897 3.172 30 HE2 HIS 4 HE2 HIS 4 0.836 18.448 2.018 31 H HIS 5 H HIS 5 2.927 17.143 -3.276 32 HA HIS 5 HA HIS 5 1.175 19.480 -3.355 33 HB2 HIS 5 HB2 HIS 5 2.714 19.530 -5.366 34 HB3 HIS 5 HB3 HIS 5 1.956 18.029 -5.892 35 HD1 HIS 5 HD1 HIS 5 1.290 21.685 -5.458 36 HD2 HIS 5 HD2 HIS 5 -0.594 18.320 -7.013 37 HE1 HIS 5 HE1 HIS 5 -0.707 22.547 -6.712 38 HE2 HIS 5 HE2 HIS 5 -1.722 20.516 -7.804 39 H HIS 6 H HIS 6 -0.495 18.584 -2.329 40 HA HIS 6 HA HIS 6 -1.277 15.840 -2.771 41 HB2 HIS 6 HB2 HIS 6 -1.388 17.146 -0.562 42 HB3 HIS 6 HB3 HIS 6 -2.819 17.923 -1.225 43 HD1 HIS 6 HD1 HIS 6 -4.879 16.887 -0.383 44 HD2 HIS 6 HD2 HIS 6 -1.807 14.107 -0.762 45 HE1 HIS 6 HE1 HIS 6 -5.822 14.711 0.454 46 HE2 HIS 6 HE2 HIS 6 -3.865 13.133 0.469 47 H HIS 7 H HIS 7 -2.384 15.282 -4.515 48 HA HIS 7 HA HIS 7 -4.827 16.603 -5.249 49 HB2 HIS 7 HB2 HIS 7 -2.985 17.979 -6.372 50 HB3 HIS 7 HB3 HIS 7 -2.644 16.556 -7.346 51 HD1 HIS 7 HD1 HIS 7 -4.868 19.467 -7.101 52 HD2 HIS 7 HD2 HIS 7 -4.787 15.854 -9.163 53 HE1 HIS 7 HE1 HIS 7 -6.547 19.706 -8.957 54 HE2 HIS 7 HE2 HIS 7 -6.383 17.566 -10.281 55 H HIS 8 H HIS 8 -6.154 14.980 -5.745 56 HA HIS 8 HA HIS 8 -5.220 12.330 -6.015 57 HB2 HIS 8 HB2 HIS 8 -7.591 11.756 -6.571 58 HB3 HIS 8 HB3 HIS 8 -7.394 12.658 -5.078 59 HD1 HIS 8 HD1 HIS 8 -9.870 13.405 -5.192 60 HD2 HIS 8 HD2 HIS 8 -7.556 14.710 -8.398 61 HE1 HIS 8 HE1 HIS 8 -11.236 15.175 -6.349 62 HE2 HIS 8 HE2 HIS 8 -9.768 16.033 -8.210 63 H SER 9 H SER 9 -5.290 10.886 -7.769 64 HA SER 9 HA SER 9 -5.830 11.789 -10.426 65 HB2 SER 9 HB2 SER 9 -3.486 11.528 -11.240 66 HB3 SER 9 HB3 SER 9 -3.680 12.888 -10.134 67 HG SER 9 HG SER 9 -2.151 10.642 -9.884 68 H HIS 10 H HIS 10 -5.310 10.076 -12.031 69 HA HIS 10 HA HIS 10 -5.045 7.421 -10.788 70 HB2 HIS 10 HB2 HIS 10 -6.410 8.248 -13.360 71 HB3 HIS 10 HB3 HIS 10 -6.084 6.570 -12.934 72 HD1 HIS 10 HD1 HIS 10 -8.871 8.502 -13.104 73 HD2 HIS 10 HD2 HIS 10 -7.149 6.474 -9.901 74 HE1 HIS 10 HE1 HIS 10 -10.727 8.151 -11.435 75 HE2 HIS 10 HE2 HIS 10 -9.638 7.024 -9.461 76 H MET 11 H MET 11 -3.573 5.959 -11.723 77 HA MET 11 HA MET 11 -1.223 7.258 -12.686 78 HB2 MET 11 HB2 MET 11 -0.188 5.066 -12.635 79 HB3 MET 11 HB3 MET 11 -1.134 5.314 -11.175 80 HG2 MET 11 HG2 MET 11 -2.900 3.916 -12.027 81 HG3 MET 11 HG3 MET 11 -2.066 3.746 -13.570 82 HE1 MET 11 HE1 MET 11 0.271 2.471 -13.845 83 HE2 MET 11 HE2 MET 11 1.132 1.723 -12.497 84 HE3 MET 11 HE3 MET 11 0.956 3.476 -12.569 85 H ALA 12 H ALA 12 -0.116 6.920 -14.635 86 HA ALA 12 HA ALA 12 -1.891 6.254 -16.878 87 HB1 ALA 12 HB1 ALA 12 0.637 7.904 -16.863 88 HB2 ALA 12 HB2 ALA 12 -1.008 8.541 -16.868 89 HB3 ALA 12 HB3 ALA 12 -0.414 7.622 -18.252 90 H GLN 13 H GLN 13 -0.057 5.811 -18.860 91 HA GLN 13 HA GLN 13 1.383 3.436 -17.882 92 HB2 GLN 13 HB2 GLN 13 0.294 3.881 -20.668 93 HB3 GLN 13 HB3 GLN 13 1.047 2.416 -20.054 94 HG2 GLN 13 HG2 GLN 13 -0.818 2.251 -18.398 95 HG3 GLN 13 HG3 GLN 13 -1.602 3.583 -19.247 96 HE21 GLN 13 HE21 GLN 13 -2.355 3.260 -21.348 97 HE22 GLN 13 HE22 GLN 13 -2.639 1.667 -21.973 98 H PHE 14 H PHE 14 3.499 3.286 -18.288 99 HA PHE 14 HA PHE 14 4.932 5.514 -19.352 100 HB2 PHE 14 HB2 PHE 14 5.762 2.766 -18.410 101 HB3 PHE 14 HB3 PHE 14 6.917 3.933 -19.045 102 HD1 PHE 14 HD1 PHE 14 4.363 3.468 -16.382 103 HD2 PHE 14 HD2 PHE 14 7.847 5.545 -17.664 104 HE1 PHE 14 HE1 PHE 14 4.571 4.485 -14.154 105 HE2 PHE 14 HE2 PHE 14 8.064 6.566 -15.433 106 HZ PHE 14 HZ PHE 14 6.421 6.036 -13.677 107 HA PRO 15 HA PRO 15 5.470 4.187 -23.572 108 HB2 PRO 15 HB2 PRO 15 8.103 4.627 -24.060 109 HB3 PRO 15 HB3 PRO 15 6.927 5.937 -23.900 110 HG2 PRO 15 HG2 PRO 15 8.852 4.868 -21.871 111 HG3 PRO 15 HG3 PRO 15 8.462 6.554 -22.261 112 HD2 PRO 15 HD2 PRO 15 7.407 5.278 -20.124 113 HD3 PRO 15 HD3 PRO 15 6.508 6.514 -21.030 114 H THR 16 H THR 16 7.588 3.000 -24.851 115 HA THR 16 HA THR 16 7.255 0.297 -24.255 116 HB THR 16 HB THR 16 7.935 1.162 -26.469 117 HG1 THR 16 HG1 THR 16 9.547 -0.507 -26.849 118 HG21 THR 16 HG21 THR 16 10.308 1.677 -26.894 119 HG22 THR 16 HG22 THR 16 10.620 1.589 -25.161 120 HG23 THR 16 HG23 THR 16 9.554 2.840 -25.802 121 HA PRO 17 HA PRO 17 9.801 -0.281 -20.714 122 HB2 PRO 17 HB2 PRO 17 10.065 -3.085 -21.584 123 HB3 PRO 17 HB3 PRO 17 9.351 -2.421 -20.116 124 HG2 PRO 17 HG2 PRO 17 7.824 -3.455 -22.052 125 HG3 PRO 17 HG3 PRO 17 7.302 -2.039 -21.121 126 HD2 PRO 17 HD2 PRO 17 8.477 -2.169 -23.876 127 HD3 PRO 17 HD3 PRO 17 7.129 -1.181 -23.270 128 H PHE 18 H PHE 18 11.539 0.966 -21.863 129 HA PHE 18 HA PHE 18 13.913 -0.744 -21.911 130 HB2 PHE 18 HB2 PHE 18 13.215 1.340 -23.989 131 HB3 PHE 18 HB3 PHE 18 14.853 0.739 -23.752 132 HD1 PHE 18 HD1 PHE 18 11.444 -0.179 -24.796 133 HD2 PHE 18 HD2 PHE 18 15.514 -1.393 -24.555 134 HE1 PHE 18 HE1 PHE 18 10.966 -2.060 -26.304 135 HE2 PHE 18 HE2 PHE 18 15.042 -3.283 -26.059 136 HZ PHE 18 HZ PHE 18 12.766 -3.615 -26.936 137 H GLY 19 H GLY 19 15.383 0.004 -20.506 138 HA2 GLY 19 HA2 GLY 19 14.890 2.718 -19.465 139 HA3 GLY 19 HA3 GLY 19 15.432 1.371 -18.481 140 H GLY 20 H GLY 20 17.132 2.601 -17.727 141 HA2 GLY 20 HA2 GLY 20 19.640 2.475 -18.666 142 HA3 GLY 20 HA3 GLY 20 19.002 3.853 -19.559 143 H SER 21 H SER 21 17.353 4.994 -17.734 144 HA SER 21 HA SER 21 19.098 5.749 -15.506 145 HB2 SER 21 HB2 SER 21 16.524 7.028 -16.474 146 HB3 SER 21 HB3 SER 21 17.602 7.673 -15.238 147 HG SER 21 HG SER 21 18.865 7.102 -17.614 148 H LEU 22 H LEU 22 18.247 5.684 -13.335 149 HA LEU 22 HA LEU 22 16.238 3.547 -13.084 150 HB2 LEU 22 HB2 LEU 22 18.522 4.342 -11.289 151 HB3 LEU 22 HB3 LEU 22 17.261 3.240 -10.782 152 HG LEU 22 HG LEU 22 17.926 1.801 -12.795 153 HD11 LEU 22 HD11 LEU 22 20.191 2.072 -13.620 154 HD12 LEU 22 HD12 LEU 22 20.397 3.520 -12.635 155 HD13 LEU 22 HD13 LEU 22 19.237 3.516 -13.963 156 HD21 LEU 22 HD21 LEU 22 19.742 0.747 -11.560 157 HD22 LEU 22 HD22 LEU 22 18.429 1.211 -10.479 158 HD23 LEU 22 HD23 LEU 22 19.899 2.183 -10.548 159 H ASP 23 H ASP 23 14.512 3.742 -11.768 160 HA ASP 23 HA ASP 23 14.288 6.039 -10.004 161 HB2 ASP 23 HB2 ASP 23 13.199 6.628 -12.228 162 HB3 ASP 23 HB3 ASP 23 12.050 5.329 -11.919 163 H THR 24 H THR 24 13.319 5.498 -8.158 164 HA THR 24 HA THR 24 12.790 2.677 -7.751 165 HB THR 24 HB THR 24 12.812 4.895 -5.708 166 HG1 THR 24 HG1 THR 24 14.891 3.440 -6.945 167 HG21 THR 24 HG21 THR 24 13.215 1.906 -5.455 168 HG22 THR 24 HG22 THR 24 11.804 2.816 -4.914 169 HG23 THR 24 HG23 THR 24 13.367 3.073 -4.140 170 H TRP 25 H TRP 25 11.041 5.742 -7.578 171 HA TRP 25 HA TRP 25 8.814 4.451 -6.229 172 HB2 TRP 25 HB2 TRP 25 9.448 7.321 -6.874 173 HB3 TRP 25 HB3 TRP 25 7.889 6.823 -6.226 174 HD1 TRP 25 HD1 TRP 25 10.904 8.274 -5.012 175 HE1 TRP 25 HE1 TRP 25 11.333 7.737 -2.533 176 HE3 TRP 25 HE3 TRP 25 7.684 4.346 -4.462 177 HZ2 TRP 25 HZ2 TRP 25 10.424 5.889 -0.597 178 HZ3 TRP 25 HZ3 TRP 25 7.525 3.245 -2.270 179 HH2 TRP 25 HH2 TRP 25 8.864 3.999 -0.375 180 H ALA 26 H ALA 26 9.746 5.364 -9.378 181 HA ALA 26 HA ALA 26 7.279 5.758 -10.633 182 HB1 ALA 26 HB1 ALA 26 9.690 4.331 -11.753 183 HB2 ALA 26 HB2 ALA 26 9.440 6.076 -11.748 184 HB3 ALA 26 HB3 ALA 26 8.370 5.035 -12.687 185 H ILE 27 H ILE 27 5.577 4.482 -10.965 186 HA ILE 27 HA ILE 27 5.776 1.669 -10.223 187 HB ILE 27 HB ILE 27 3.348 3.383 -10.771 188 HG12 ILE 27 HG12 ILE 27 4.426 2.199 -8.204 189 HG13 ILE 27 HG13 ILE 27 4.557 3.888 -8.674 190 HG21 ILE 27 HG21 ILE 27 2.028 1.489 -9.951 191 HG22 ILE 27 HG22 ILE 27 3.496 0.518 -9.834 192 HG23 ILE 27 HG23 ILE 27 2.924 1.064 -11.410 193 HD11 ILE 27 HD11 ILE 27 2.120 4.076 -8.632 194 HD12 ILE 27 HD12 ILE 27 2.773 3.571 -7.075 195 HD13 ILE 27 HD13 ILE 27 2.009 2.388 -8.136 196 H THR 28 H THR 28 6.381 0.378 -11.786 197 HA THR 28 HA THR 28 5.842 0.873 -14.561 198 HB THR 28 HB THR 28 6.799 -1.743 -13.413 199 HG1 THR 28 HG1 THR 28 8.111 -0.270 -12.395 200 HG21 THR 28 HG21 THR 28 6.434 -1.626 -15.837 201 HG22 THR 28 HG22 THR 28 8.149 -1.800 -15.465 202 HG23 THR 28 HG23 THR 28 7.503 -0.227 -15.934 203 H VAL 29 H VAL 29 4.817 -0.907 -15.910 204 HA VAL 29 HA VAL 29 2.170 -1.408 -15.168 205 HB VAL 29 HB VAL 29 3.788 -2.974 -17.189 206 HG11 VAL 29 HG11 VAL 29 1.613 -3.301 -18.296 207 HG12 VAL 29 HG12 VAL 29 0.822 -2.483 -16.950 208 HG13 VAL 29 HG13 VAL 29 1.658 -4.012 -16.683 209 HG21 VAL 29 HG21 VAL 29 3.007 -1.360 -18.849 210 HG22 VAL 29 HG22 VAL 29 3.984 -0.574 -17.609 211 HG23 VAL 29 HG23 VAL 29 2.226 -0.420 -17.576 212 H GLU 30 H GLU 30 5.094 -3.189 -14.596 213 HA GLU 30 HA GLU 30 3.991 -5.681 -13.900 214 HB2 GLU 30 HB2 GLU 30 6.387 -5.308 -14.358 215 HB3 GLU 30 HB3 GLU 30 6.514 -4.355 -12.886 216 HG2 GLU 30 HG2 GLU 30 5.872 -6.355 -11.586 217 HG3 GLU 30 HG3 GLU 30 5.873 -7.286 -13.083 218 H GLU 31 H GLU 31 5.042 -2.967 -11.808 219 HA GLU 31 HA GLU 31 4.013 -3.981 -9.420 220 HB2 GLU 31 HB2 GLU 31 4.302 -1.082 -10.244 221 HB3 GLU 31 HB3 GLU 31 4.013 -1.635 -8.607 222 HG2 GLU 31 HG2 GLU 31 6.261 -1.336 -8.537 223 HG3 GLU 31 HG3 GLU 31 6.194 -3.027 -9.029 224 H ARG 32 H ARG 32 2.459 -2.146 -11.988 225 HA ARG 32 HA ARG 32 0.022 -1.637 -10.680 226 HB2 ARG 32 HB2 ARG 32 0.719 -0.590 -12.827 227 HB3 ARG 32 HB3 ARG 32 0.440 -2.122 -13.638 228 HG2 ARG 32 HG2 ARG 32 -1.899 -2.029 -13.166 229 HG3 ARG 32 HG3 ARG 32 -1.687 -0.629 -12.117 230 HD2 ARG 32 HD2 ARG 32 -2.533 0.229 -14.133 231 HD3 ARG 32 HD3 ARG 32 -0.810 0.590 -14.157 232 HE ARG 32 HE ARG 32 -1.223 -1.851 -15.472 233 HH11 ARG 32 HH11 ARG 32 -1.934 1.555 -15.880 234 HH12 ARG 32 HH12 ARG 32 -1.979 1.472 -17.607 235 HH21 ARG 32 HH21 ARG 32 -1.305 -1.974 -17.766 236 HH22 ARG 32 HH22 ARG 32 -1.597 -0.523 -18.690 237 H ALA 33 H ALA 33 1.083 -4.353 -12.675 238 HA ALA 33 HA ALA 33 -1.374 -5.796 -12.473 239 HB1 ALA 33 HB1 ALA 33 0.227 -6.145 -14.308 240 HB2 ALA 33 HB2 ALA 33 -0.159 -7.647 -13.466 241 HB3 ALA 33 HB3 ALA 33 1.376 -6.832 -13.160 242 H LYS 34 H LYS 34 1.528 -5.614 -10.560 243 HA LYS 34 HA LYS 34 1.333 -8.032 -9.171 244 HB2 LYS 34 HB2 LYS 34 2.736 -5.459 -8.706 245 HB3 LYS 34 HB3 LYS 34 2.607 -6.579 -7.353 246 HG2 LYS 34 HG2 LYS 34 3.854 -7.110 -10.040 247 HG3 LYS 34 HG3 LYS 34 4.675 -6.975 -8.480 248 HD2 LYS 34 HD2 LYS 34 3.477 -8.944 -7.676 249 HD3 LYS 34 HD3 LYS 34 2.643 -9.076 -9.222 250 HE2 LYS 34 HE2 LYS 34 4.447 -10.647 -9.217 251 HE3 LYS 34 HE3 LYS 34 4.841 -9.341 -10.324 252 HZ1 LYS 34 HZ1 LYS 34 6.733 -9.971 -8.968 253 HZ2 LYS 34 HZ2 LYS 34 5.868 -9.607 -7.556 254 HZ3 LYS 34 HZ3 LYS 34 6.271 -8.369 -8.648 255 H HIS 35 H HIS 35 -0.418 -5.072 -8.707 256 HA HIS 35 HA HIS 35 -1.112 -5.315 -6.022 257 HB2 HIS 35 HB2 HIS 35 -2.762 -3.739 -6.370 258 HB3 HIS 35 HB3 HIS 35 -1.751 -3.441 -7.772 259 HD1 HIS 35 HD1 HIS 35 -5.160 -4.343 -6.756 260 HD2 HIS 35 HD2 HIS 35 -2.902 -4.519 -10.240 261 HE1 HIS 35 HE1 HIS 35 -6.815 -4.693 -8.611 262 HE2 HIS 35 HE2 HIS 35 -5.401 -5.026 -10.671 263 H ASP 36 H ASP 36 -2.336 -6.962 -8.829 264 HA ASP 36 HA ASP 36 -4.726 -7.968 -7.731 265 HB2 ASP 36 HB2 ASP 36 -4.396 -7.900 -10.129 266 HB3 ASP 36 HB3 ASP 36 -3.021 -8.994 -10.008 267 H GLN 37 H GLN 37 -1.521 -9.445 -8.082 268 HA GLN 37 HA GLN 37 -2.189 -11.939 -6.972 269 HB2 GLN 37 HB2 GLN 37 -0.143 -11.556 -8.280 270 HB3 GLN 37 HB3 GLN 37 0.479 -10.515 -7.005 271 HG2 GLN 37 HG2 GLN 37 0.509 -12.400 -5.467 272 HG3 GLN 37 HG3 GLN 37 -0.133 -13.449 -6.729 273 HE21 GLN 37 HE21 GLN 37 1.600 -14.811 -6.693 274 HE22 GLN 37 HE22 GLN 37 3.164 -14.372 -7.288 275 H GLN 38 H GLN 38 -0.700 -9.066 -5.523 276 HA GLN 38 HA GLN 38 -0.473 -10.158 -2.920 277 HB2 GLN 38 HB2 GLN 38 -0.222 -7.437 -4.124 278 HB3 GLN 38 HB3 GLN 38 -0.357 -7.566 -2.381 279 HG2 GLN 38 HG2 GLN 38 1.976 -7.465 -3.340 280 HG3 GLN 38 HG3 GLN 38 1.644 -8.758 -2.190 281 HE21 GLN 38 HE21 GLN 38 2.263 -7.979 -5.540 282 HE22 GLN 38 HE22 GLN 38 2.579 -9.598 -6.043 283 H PHE 39 H PHE 39 -3.002 -8.377 -4.562 284 HA PHE 39 HA PHE 39 -4.580 -7.818 -2.257 285 HB2 PHE 39 HB2 PHE 39 -4.669 -6.807 -4.673 286 HB3 PHE 39 HB3 PHE 39 -5.740 -8.160 -5.008 287 HD1 PHE 39 HD1 PHE 39 -7.935 -8.293 -3.951 288 HD2 PHE 39 HD2 PHE 39 -5.345 -4.982 -3.306 289 HE1 PHE 39 HE1 PHE 39 -9.828 -6.981 -3.082 290 HE2 PHE 39 HE2 PHE 39 -7.231 -3.668 -2.440 291 HZ PHE 39 HZ PHE 39 -9.477 -4.666 -2.333 292 H HIS 40 H HIS 40 -4.376 -10.446 -4.559 293 HA HIS 40 HA HIS 40 -6.754 -11.792 -3.852 294 HB2 HIS 40 HB2 HIS 40 -5.258 -12.090 -5.925 295 HB3 HIS 40 HB3 HIS 40 -4.268 -13.130 -4.909 296 HD1 HIS 40 HD1 HIS 40 -7.571 -12.957 -6.640 297 HD2 HIS 40 HD2 HIS 40 -5.370 -15.653 -4.359 298 HE1 HIS 40 HE1 HIS 40 -8.726 -15.177 -6.906 299 HE2 HIS 40 HE2 HIS 40 -7.278 -16.821 -5.662 300 H SER 41 H SER 41 -3.493 -11.840 -2.557 301 HA SER 41 HA SER 41 -3.837 -14.154 -0.949 302 HB2 SER 41 HB2 SER 41 -1.867 -11.889 -0.577 303 HB3 SER 41 HB3 SER 41 -1.716 -13.540 0.023 304 HG SER 41 HG SER 41 -1.988 -14.018 -2.397 305 H LEU 42 H LEU 42 -4.753 -10.865 -0.605 306 HA LEU 42 HA LEU 42 -4.933 -10.776 2.246 307 HB2 LEU 42 HB2 LEU 42 -5.058 -8.937 0.217 308 HB3 LEU 42 HB3 LEU 42 -6.742 -9.058 0.678 309 HG LEU 42 HG LEU 42 -4.477 -8.337 2.539 310 HD11 LEU 42 HD11 LEU 42 -4.919 -6.606 0.876 311 HD12 LEU 42 HD12 LEU 42 -5.428 -6.096 2.486 312 HD13 LEU 42 HD13 LEU 42 -6.630 -6.624 1.308 313 HD21 LEU 42 HD21 LEU 42 -6.275 -9.437 3.733 314 HD22 LEU 42 HD22 LEU 42 -7.460 -8.379 2.966 315 HD23 LEU 42 HD23 LEU 42 -6.279 -7.710 4.091 316 H LYS 43 H LYS 43 -6.716 -12.274 -0.183 317 HA LYS 43 HA LYS 43 -8.688 -13.350 -0.335 318 HB2 LYS 43 HB2 LYS 43 -8.658 -13.179 2.680 319 HB3 LYS 43 HB3 LYS 43 -9.780 -14.155 1.742 320 HG2 LYS 43 HG2 LYS 43 -6.787 -14.473 1.837 321 HG3 LYS 43 HG3 LYS 43 -7.979 -15.518 2.610 322 HD2 LYS 43 HD2 LYS 43 -8.882 -16.117 0.416 323 HD3 LYS 43 HD3 LYS 43 -7.698 -15.064 -0.360 324 HE2 LYS 43 HE2 LYS 43 -6.934 -17.344 -0.472 325 HE3 LYS 43 HE3 LYS 43 -5.891 -16.428 0.615 326 HZ1 LYS 43 HZ1 LYS 43 -8.014 -18.369 1.347 327 HZ2 LYS 43 HZ2 LYS 43 -7.276 -17.339 2.471 328 HZ3 LYS 43 HZ3 LYS 43 -6.349 -18.489 1.643 329 HA PRO 44 HA PRO 44 -10.968 -9.324 0.009 330 HB2 PRO 44 HB2 PRO 44 -11.567 -9.209 -2.641 331 HB3 PRO 44 HB3 PRO 44 -10.082 -8.536 -1.961 332 HG2 PRO 44 HG2 PRO 44 -10.513 -11.148 -3.356 333 HG3 PRO 44 HG3 PRO 44 -9.183 -9.988 -3.536 334 HD2 PRO 44 HD2 PRO 44 -8.945 -12.238 -2.052 335 HD3 PRO 44 HD3 PRO 44 -8.108 -10.729 -1.637 336 H ILE 45 H ILE 45 -13.247 -9.034 -0.263 337 HA ILE 45 HA ILE 45 -14.733 -11.477 -0.052 338 HB ILE 45 HB ILE 45 -15.669 -8.600 -0.097 339 HG12 ILE 45 HG12 ILE 45 -16.228 -9.188 2.336 340 HG13 ILE 45 HG13 ILE 45 -15.206 -10.603 2.117 341 HG21 ILE 45 HG21 ILE 45 -17.260 -11.104 0.444 342 HG22 ILE 45 HG22 ILE 45 -17.432 -10.033 -0.947 343 HG23 ILE 45 HG23 ILE 45 -17.840 -9.451 0.668 344 HD11 ILE 45 HD11 ILE 45 -13.994 -8.818 3.203 345 HD12 ILE 45 HD12 ILE 45 -14.345 -7.730 1.861 346 HD13 ILE 45 HD13 ILE 45 -13.312 -9.136 1.608 347 H SER 46 H SER 46 -15.165 -8.676 -2.223 348 HA SER 46 HA SER 46 -15.972 -10.565 -4.335 349 HB2 SER 46 HB2 SER 46 -17.323 -8.588 -5.208 350 HB3 SER 46 HB3 SER 46 -17.902 -9.310 -3.704 351 HG SER 46 HG SER 46 -17.660 -6.900 -3.858 352 H GLY 47 H GLY 47 -13.303 -9.559 -3.690 353 HA2 GLY 47 HA2 GLY 47 -11.510 -9.039 -5.136 354 HA3 GLY 47 HA3 GLY 47 -12.657 -8.318 -6.259 355 H PHE 48 H PHE 48 -13.508 -7.273 -3.292 356 HA PHE 48 HA PHE 48 -11.733 -4.928 -3.379 357 HB2 PHE 48 HB2 PHE 48 -14.663 -5.002 -2.615 358 HB3 PHE 48 HB3 PHE 48 -13.623 -3.589 -2.497 359 HD1 PHE 48 HD2 PHE 48 -12.874 -2.427 -4.520 360 HD2 PHE 48 HD1 PHE 48 -15.533 -5.737 -4.696 361 HE1 PHE 48 HE2 PHE 48 -13.474 -1.811 -6.826 362 HE2 PHE 48 HE1 PHE 48 -16.146 -5.131 -7.005 363 HZ PHE 48 HZ PHE 48 -15.115 -3.162 -8.071 364 H ILE 49 H ILE 49 -11.540 -3.828 -1.304 365 HA ILE 49 HA ILE 49 -12.023 -5.499 1.055 366 HB ILE 49 HB ILE 49 -9.830 -4.867 1.998 367 HG12 ILE 49 HG12 ILE 49 -9.145 -3.901 -0.785 368 HG13 ILE 49 HG13 ILE 49 -9.529 -2.835 0.561 369 HG21 ILE 49 HG21 ILE 49 -8.447 -6.404 0.672 370 HG22 ILE 49 HG22 ILE 49 -9.659 -6.370 -0.608 371 HG23 ILE 49 HG23 ILE 49 -10.062 -7.044 0.970 372 HD11 ILE 49 HD11 ILE 49 -7.216 -4.758 0.442 373 HD12 ILE 49 HD12 ILE 49 -7.595 -3.672 1.780 374 HD13 ILE 49 HD13 ILE 49 -7.131 -3.011 0.212 375 H THR 50 H THR 50 -10.945 -3.844 2.952 376 HA THR 50 HA THR 50 -11.763 -1.128 2.381 377 HB THR 50 HB THR 50 -13.837 -2.236 3.214 378 HG1 THR 50 HG1 THR 50 -14.306 -0.625 4.737 379 HG21 THR 50 HG21 THR 50 -13.991 -2.909 5.559 380 HG22 THR 50 HG22 THR 50 -12.267 -2.602 5.765 381 HG23 THR 50 HG23 THR 50 -12.811 -3.892 4.692 382 H GLY 51 H GLY 51 -11.429 0.162 4.644 383 HA2 GLY 51 HA2 GLY 51 -8.639 0.184 4.924 384 HA3 GLY 51 HA3 GLY 51 -9.766 1.061 5.944 385 H ASP 52 H ASP 52 -11.101 -1.024 7.198 386 HA ASP 52 HA ASP 52 -9.287 -1.678 9.246 387 HB2 ASP 52 HB2 ASP 52 -11.709 -1.520 9.626 388 HB3 ASP 52 HB3 ASP 52 -11.961 -2.957 8.638 389 H GLN 53 H GLN 53 -10.362 -3.495 6.442 390 HA GLN 53 HA GLN 53 -9.023 -5.910 7.222 391 HB2 GLN 53 HB2 GLN 53 -10.964 -6.008 5.752 392 HB3 GLN 53 HB3 GLN 53 -10.136 -5.026 4.551 393 HG2 GLN 53 HG2 GLN 53 -8.565 -6.776 4.116 394 HG3 GLN 53 HG3 GLN 53 -9.193 -7.735 5.454 395 HE21 GLN 53 HE21 GLN 53 -9.596 -9.458 4.054 396 HE22 GLN 53 HE22 GLN 53 -10.931 -9.451 2.959 397 H ALA 54 H ALA 54 -8.268 -3.089 5.311 398 HA ALA 54 HA ALA 54 -6.032 -3.931 3.908 399 HB1 ALA 54 HB1 ALA 54 -5.404 -1.580 3.788 400 HB2 ALA 54 HB2 ALA 54 -6.516 -1.201 5.106 401 HB3 ALA 54 HB3 ALA 54 -7.143 -1.774 3.558 402 H ARG 55 H ARG 55 -6.210 -2.576 7.183 403 HA ARG 55 HA ARG 55 -3.451 -2.383 7.597 404 HB2 ARG 55 HB2 ARG 55 -3.953 -2.206 9.986 405 HB3 ARG 55 HB3 ARG 55 -5.011 -1.194 9.018 406 HG2 ARG 55 HG2 ARG 55 -6.816 -2.794 9.265 407 HG3 ARG 55 HG3 ARG 55 -5.753 -3.876 10.170 408 HD2 ARG 55 HD2 ARG 55 -5.517 -2.225 11.926 409 HD3 ARG 55 HD3 ARG 55 -6.478 -1.070 11.009 410 HE ARG 55 HE ARG 55 -8.334 -2.789 11.269 411 HH11 ARG 55 HH11 ARG 55 -5.744 -2.458 13.600 412 HH12 ARG 55 HH12 ARG 55 -6.732 -2.913 14.959 413 HH21 ARG 55 HH21 ARG 55 -9.639 -3.383 13.023 414 HH22 ARG 55 HH22 ARG 55 -8.964 -3.447 14.631 415 H ASN 56 H ASN 56 -5.613 -5.122 7.969 416 HA ASN 56 HA ASN 56 -3.982 -6.727 9.600 417 HB2 ASN 56 HB2 ASN 56 -6.352 -7.227 9.159 418 HB3 ASN 56 HB3 ASN 56 -5.969 -7.586 7.479 419 HD21 ASN 56 HD21 ASN 56 -6.788 -9.684 7.695 420 HD22 ASN 56 HD22 ASN 56 -5.905 -10.920 8.533 421 H PHE 57 H PHE 57 -4.087 -6.329 6.090 422 HA PHE 57 HA PHE 57 -2.266 -8.396 5.457 423 HB2 PHE 57 HB2 PHE 57 -3.760 -7.343 3.802 424 HB3 PHE 57 HB3 PHE 57 -2.835 -5.850 3.933 425 HD1 PHE 57 HD1 PHE 57 -0.640 -5.660 2.973 426 HD2 PHE 57 HD2 PHE 57 -2.854 -9.274 2.652 427 HE1 PHE 57 HE1 PHE 57 0.907 -6.447 1.257 428 HE2 PHE 57 HE2 PHE 57 -1.301 -10.073 0.915 429 HZ PHE 57 HZ PHE 57 0.588 -8.659 0.214 430 H PHE 58 H PHE 58 -1.788 -4.901 5.886 431 HA PHE 58 HA PHE 58 1.007 -4.962 5.477 432 HB2 PHE 58 HB2 PHE 58 -0.542 -2.944 7.109 433 HB3 PHE 58 HB3 PHE 58 1.015 -2.704 6.323 434 HD1 PHE 58 HD2 PHE 58 0.534 -3.869 3.674 435 HD2 PHE 58 HD1 PHE 58 -1.967 -1.432 6.105 436 HE1 PHE 58 HE2 PHE 58 -0.624 -3.066 1.662 437 HE2 PHE 58 HE1 PHE 58 -3.132 -0.621 4.092 438 HZ PHE 58 HZ PHE 58 -2.460 -1.439 1.870 439 H PHE 59 H PHE 59 -1.008 -5.348 8.319 440 HA PHE 59 HA PHE 59 1.044 -5.306 10.264 441 HB2 PHE 59 HB2 PHE 59 -1.414 -5.131 10.734 442 HB3 PHE 59 HB3 PHE 59 -1.567 -6.841 10.355 443 HD1 PHE 59 HD1 PHE 59 0.391 -4.571 12.561 444 HD2 PHE 59 HD2 PHE 59 -1.517 -8.344 12.088 445 HE1 PHE 59 HE1 PHE 59 0.877 -5.107 14.912 446 HE2 PHE 59 HE2 PHE 59 -1.026 -8.889 14.436 447 HZ PHE 59 HZ PHE 59 0.170 -7.268 15.851 448 H GLN 60 H GLN 60 -0.180 -7.739 8.091 449 HA GLN 60 HA GLN 60 1.222 -9.932 9.314 450 HB2 GLN 60 HB2 GLN 60 -0.922 -10.060 7.945 451 HB3 GLN 60 HB3 GLN 60 0.080 -9.812 6.523 452 HG2 GLN 60 HG2 GLN 60 1.185 -11.918 8.097 453 HG3 GLN 60 HG3 GLN 60 -0.531 -12.216 7.834 454 HE21 GLN 60 HE21 GLN 60 2.580 -11.875 6.345 455 HE22 GLN 60 HE22 GLN 60 2.137 -12.520 4.801 456 H SER 61 H SER 61 2.097 -7.350 7.353 457 HA SER 61 HA SER 61 4.181 -8.724 5.890 458 HB2 SER 61 HB2 SER 61 3.613 -5.759 6.117 459 HB3 SER 61 HB3 SER 61 4.681 -6.532 4.945 460 HG SER 61 HG SER 61 1.941 -7.212 5.159 461 H GLY 62 H GLY 62 3.839 -7.539 8.988 462 HA2 GLY 62 HA2 GLY 62 5.438 -7.655 10.680 463 HA3 GLY 62 HA3 GLY 62 6.689 -7.830 9.456 464 H LEU 63 H LEU 63 4.251 -5.295 9.761 465 HA LEU 63 HA LEU 63 6.431 -3.360 10.163 466 HB2 LEU 63 HB2 LEU 63 3.878 -3.146 8.583 467 HB3 LEU 63 HB3 LEU 63 4.771 -1.725 9.088 468 HG LEU 63 HG LEU 63 5.997 -3.912 7.406 469 HD11 LEU 63 HD11 LEU 63 4.687 -1.344 6.528 470 HD12 LEU 63 HD12 LEU 63 4.125 -2.981 6.187 471 HD13 LEU 63 HD13 LEU 63 5.644 -2.408 5.497 472 HD21 LEU 63 HD21 LEU 63 7.639 -2.182 6.888 473 HD22 LEU 63 HD22 LEU 63 7.569 -2.499 8.622 474 HD23 LEU 63 HD23 LEU 63 6.801 -1.057 7.958 475 HA PRO 64 HA PRO 64 4.482 -2.235 13.976 476 HB2 PRO 64 HB2 PRO 64 5.552 0.470 13.604 477 HB3 PRO 64 HB3 PRO 64 5.949 -0.731 14.835 478 HG2 PRO 64 HG2 PRO 64 7.674 -0.068 12.876 479 HG3 PRO 64 HG3 PRO 64 7.589 -1.707 13.547 480 HD2 PRO 64 HD2 PRO 64 6.456 -0.643 10.987 481 HD3 PRO 64 HD3 PRO 64 7.258 -2.196 11.306 482 H GLN 65 H GLN 65 2.795 -1.007 14.818 483 HA GLN 65 HA GLN 65 0.722 -0.396 13.093 484 HB2 GLN 65 HB2 GLN 65 1.125 0.526 15.940 485 HB3 GLN 65 HB3 GLN 65 -0.382 0.684 15.050 486 HG2 GLN 65 HG2 GLN 65 -0.796 -1.241 16.180 487 HG3 GLN 65 HG3 GLN 65 -0.077 -1.902 14.715 488 HE21 GLN 65 HE21 GLN 65 -0.243 -3.095 17.327 489 HE22 GLN 65 HE22 GLN 65 1.385 -3.395 17.845 490 HA PRO 66 HA PRO 66 1.747 4.398 13.694 491 HB2 PRO 66 HB2 PRO 66 4.705 4.096 13.889 492 HB3 PRO 66 HB3 PRO 66 3.641 5.282 14.655 493 HG2 PRO 66 HG2 PRO 66 4.664 3.285 16.076 494 HG3 PRO 66 HG3 PRO 66 2.989 3.809 16.329 495 HD2 PRO 66 HD2 PRO 66 4.026 1.416 14.869 496 HD3 PRO 66 HD3 PRO 66 2.599 1.568 15.915 497 H VAL 67 H VAL 67 3.858 2.043 12.170 498 HA VAL 67 HA VAL 67 4.385 3.687 9.853 499 HB VAL 67 HB VAL 67 4.929 0.745 10.307 500 HG11 VAL 67 HG11 VAL 67 6.497 0.947 8.448 501 HG12 VAL 67 HG12 VAL 67 6.010 2.625 8.214 502 HG13 VAL 67 HG13 VAL 67 4.851 1.323 7.940 503 HG21 VAL 67 HG21 VAL 67 7.248 1.481 10.716 504 HG22 VAL 67 HG22 VAL 67 6.117 2.102 11.918 505 HG23 VAL 67 HG23 VAL 67 6.709 3.159 10.636 506 H LEU 68 H LEU 68 2.337 0.938 10.692 507 HA LEU 68 HA LEU 68 1.202 0.354 8.223 508 HB2 LEU 68 HB2 LEU 68 -0.161 0.363 10.918 509 HB3 LEU 68 HB3 LEU 68 -0.745 -0.461 9.490 510 HG LEU 68 HG LEU 68 1.764 -1.114 11.032 511 HD11 LEU 68 HD11 LEU 68 -0.814 -2.636 10.671 512 HD12 LEU 68 HD12 LEU 68 -0.313 -1.788 12.134 513 HD13 LEU 68 HD13 LEU 68 0.602 -3.186 11.567 514 HD21 LEU 68 HD21 LEU 68 0.602 -2.468 8.605 515 HD22 LEU 68 HD22 LEU 68 2.026 -2.980 9.509 516 HD23 LEU 68 HD23 LEU 68 2.046 -1.457 8.619 517 H ALA 69 H ALA 69 0.132 2.647 10.679 518 HA ALA 69 HA ALA 69 -2.099 3.656 9.318 519 HB1 ALA 69 HB1 ALA 69 -1.735 3.995 11.710 520 HB2 ALA 69 HB2 ALA 69 -1.986 5.531 10.880 521 HB3 ALA 69 HB3 ALA 69 -0.360 5.042 11.357 522 H GLN 70 H GLN 70 1.303 4.382 9.035 523 HA GLN 70 HA GLN 70 0.963 6.810 7.594 524 HB2 GLN 70 HB2 GLN 70 3.208 5.042 8.350 525 HB3 GLN 70 HB3 GLN 70 3.434 5.993 6.897 526 HG2 GLN 70 HG2 GLN 70 2.792 7.037 9.640 527 HG3 GLN 70 HG3 GLN 70 4.338 7.158 8.802 528 HE21 GLN 70 HE21 GLN 70 3.041 7.732 6.223 529 HE22 GLN 70 HE22 GLN 70 2.508 9.369 6.325 530 H ILE 71 H ILE 71 1.474 3.418 6.706 531 HA ILE 71 HA ILE 71 1.684 3.873 3.915 532 HB ILE 71 HB ILE 71 0.964 1.431 5.519 533 HG12 ILE 71 HG12 ILE 71 3.157 1.150 3.692 534 HG13 ILE 71 HG13 ILE 71 3.384 2.612 4.643 535 HG21 ILE 71 HG21 ILE 71 -0.341 1.281 3.480 536 HG22 ILE 71 HG22 ILE 71 0.994 0.129 3.436 537 HG23 ILE 71 HG23 ILE 71 1.092 1.627 2.511 538 HD11 ILE 71 HD11 ILE 71 2.918 -0.159 5.723 539 HD12 ILE 71 HD12 ILE 71 3.129 1.301 6.691 540 HD13 ILE 71 HD13 ILE 71 4.455 0.707 5.689 541 H TRP 72 H TRP 72 -1.050 3.015 5.998 542 HA TRP 72 HA TRP 72 -2.952 2.788 3.939 543 HB2 TRP 72 HB2 TRP 72 -3.339 1.871 6.166 544 HB3 TRP 72 HB3 TRP 72 -3.337 3.488 6.856 545 HD1 TRP 72 HD1 TRP 72 -5.279 2.525 3.663 546 HE1 TRP 72 HE1 TRP 72 -7.778 2.881 4.122 547 HE3 TRP 72 HE3 TRP 72 -5.023 3.671 8.624 548 HZ2 TRP 72 HZ2 TRP 72 -9.432 3.536 6.312 549 HZ3 TRP 72 HZ3 TRP 72 -7.110 4.134 9.837 550 HH2 TRP 72 HH2 TRP 72 -9.272 4.078 8.701 551 H ALA 73 H ALA 73 -2.026 5.541 5.985 552 HA ALA 73 HA ALA 73 -3.968 7.309 4.916 553 HB1 ALA 73 HB1 ALA 73 -1.362 7.957 6.290 554 HB2 ALA 73 HB2 ALA 73 -2.917 7.701 7.081 555 HB3 ALA 73 HB3 ALA 73 -2.689 9.083 6.008 556 H LEU 74 H LEU 74 -1.139 6.035 3.617 557 HA LEU 74 HA LEU 74 -0.639 8.279 1.828 558 HB2 LEU 74 HB2 LEU 74 0.828 5.809 2.599 559 HB3 LEU 74 HB3 LEU 74 1.153 6.504 1.027 560 HG LEU 74 HG LEU 74 1.461 7.957 3.661 561 HD11 LEU 74 HD11 LEU 74 3.128 6.189 3.390 562 HD12 LEU 74 HD12 LEU 74 3.858 7.786 3.235 563 HD13 LEU 74 HD13 LEU 74 3.543 6.819 1.795 564 HD21 LEU 74 HD21 LEU 74 2.189 8.750 0.845 565 HD22 LEU 74 HD22 LEU 74 2.542 9.671 2.308 566 HD23 LEU 74 HD23 LEU 74 0.870 9.424 1.805 567 H ALA 75 H ALA 75 -1.920 5.021 1.826 568 HA ALA 75 HA ALA 75 -1.728 4.531 -0.945 569 HB1 ALA 75 HB1 ALA 75 -3.308 2.704 -0.538 570 HB2 ALA 75 HB2 ALA 75 -3.626 3.344 1.076 571 HB3 ALA 75 HB3 ALA 75 -2.022 2.733 0.668 572 H ASP 76 H ASP 76 -4.804 4.987 0.854 573 HA ASP 76 HA ASP 76 -5.888 6.216 -1.518 574 HB2 ASP 76 HB2 ASP 76 -8.006 6.349 -0.209 575 HB3 ASP 76 HB3 ASP 76 -7.406 4.722 -0.431 576 H MET 77 H MET 77 -4.820 8.030 -1.772 577 HA MET 77 HA MET 77 -4.008 9.879 0.113 578 HB2 MET 77 HB2 MET 77 -4.704 10.220 -2.797 579 HB3 MET 77 HB3 MET 77 -3.996 11.505 -1.829 580 HG2 MET 77 HG2 MET 77 -2.029 10.181 -1.418 581 HG3 MET 77 HG3 MET 77 -2.746 8.801 -2.247 582 HE1 MET 77 HE1 MET 77 -2.977 8.539 -4.799 583 HE2 MET 77 HE2 MET 77 -2.738 9.842 -5.964 584 HE3 MET 77 HE3 MET 77 -4.075 9.921 -4.816 585 H ASN 78 H ASN 78 -7.149 9.465 -1.323 586 HA ASN 78 HA ASN 78 -8.230 11.991 -0.537 587 HB2 ASN 78 HB2 ASN 78 -9.241 10.700 -2.352 588 HB3 ASN 78 HB3 ASN 78 -9.586 9.373 -1.250 589 HD21 ASN 78 HD21 ASN 78 -11.377 9.478 0.061 590 HD22 ASN 78 HD22 ASN 78 -12.553 10.743 -0.032 591 H ASN 79 H ASN 79 -7.314 9.269 1.178 592 HA ASN 79 HA ASN 79 -7.767 8.336 3.191 593 HB2 ASN 79 HB2 ASN 79 -7.042 10.741 3.783 594 HB3 ASN 79 HB3 ASN 79 -8.749 11.045 4.083 595 HD21 ASN 79 HD21 ASN 79 -9.255 8.363 5.147 596 HD22 ASN 79 HD22 ASN 79 -8.531 8.326 6.717 597 H ASP 80 H ASP 80 -9.525 7.323 1.891 598 HA ASP 80 HA ASP 80 -12.218 8.246 2.580 599 HB2 ASP 80 HB2 ASP 80 -11.640 7.597 0.217 600 HB3 ASP 80 HB3 ASP 80 -11.405 5.947 0.784 601 H GLY 81 H GLY 81 -9.864 5.828 3.279 602 HA2 GLY 81 HA2 GLY 81 -9.809 4.512 5.209 603 HA3 GLY 81 HA3 GLY 81 -11.508 4.875 5.484 604 H ARG 82 H ARG 82 -10.324 3.725 2.415 605 HA ARG 82 HA ARG 82 -11.404 1.071 2.992 606 HB2 ARG 82 HB2 ARG 82 -12.221 2.858 0.720 607 HB3 ARG 82 HB3 ARG 82 -12.456 1.114 0.671 608 HG2 ARG 82 HG2 ARG 82 -13.865 1.202 2.615 609 HG3 ARG 82 HG3 ARG 82 -13.549 2.927 2.806 610 HD2 ARG 82 HD2 ARG 82 -14.664 3.403 0.721 611 HD3 ARG 82 HD3 ARG 82 -14.884 1.679 0.411 612 HE ARG 82 HE ARG 82 -16.497 1.593 2.134 613 HH11 ARG 82 HH11 ARG 82 -15.288 4.839 1.536 614 HH12 ARG 82 HH12 ARG 82 -16.640 5.610 2.324 615 HH21 ARG 82 HH21 ARG 82 -18.251 2.613 3.181 616 HH22 ARG 82 HH22 ARG 82 -18.322 4.350 3.253 617 H MET 83 H MET 83 -9.489 3.084 0.877 618 HA MET 83 HA MET 83 -7.756 2.665 -0.532 619 HB2 MET 83 HB2 MET 83 -6.677 1.819 1.487 620 HB3 MET 83 HB3 MET 83 -7.399 0.238 1.234 621 HG2 MET 83 HG2 MET 83 -6.150 0.112 -0.927 622 HG3 MET 83 HG3 MET 83 -5.321 1.595 -0.458 623 HE1 MET 83 HE1 MET 83 -5.241 1.030 2.747 624 HE2 MET 83 HE2 MET 83 -3.901 1.766 1.869 625 HE3 MET 83 HE3 MET 83 -3.612 0.376 2.914 626 H ASP 84 H ASP 84 -8.938 2.351 -2.407 627 HA ASP 84 HA ASP 84 -9.940 -0.284 -3.034 628 HB2 ASP 84 HB2 ASP 84 -10.020 2.372 -4.409 629 HB3 ASP 84 HB3 ASP 84 -10.340 0.909 -5.336 630 H GLN 85 H GLN 85 -9.410 -0.321 -5.777 631 HA GLN 85 HA GLN 85 -7.106 -1.963 -5.585 632 HB2 GLN 85 HB2 GLN 85 -8.468 -1.124 -8.138 633 HB3 GLN 85 HB3 GLN 85 -7.636 -2.638 -7.789 634 HG2 GLN 85 HG2 GLN 85 -10.246 -1.702 -6.616 635 HG3 GLN 85 HG3 GLN 85 -10.017 -3.007 -7.782 636 HE21 GLN 85 HE21 GLN 85 -11.054 -2.818 -4.909 637 HE22 GLN 85 HE22 GLN 85 -10.211 -4.080 -4.087 638 H VAL 86 H VAL 86 -7.564 1.305 -6.864 639 HA VAL 86 HA VAL 86 -4.969 1.250 -8.108 640 HB VAL 86 HB VAL 86 -6.668 2.673 -9.100 641 HG11 VAL 86 HG11 VAL 86 -7.932 3.307 -7.143 642 HG12 VAL 86 HG12 VAL 86 -7.405 4.746 -8.016 643 HG13 VAL 86 HG13 VAL 86 -6.573 4.256 -6.540 644 HG21 VAL 86 HG21 VAL 86 -4.384 4.262 -7.940 645 HG22 VAL 86 HG22 VAL 86 -5.362 4.734 -9.330 646 HG23 VAL 86 HG23 VAL 86 -4.346 3.295 -9.415 647 H GLU 87 H GLU 87 -6.336 2.456 -5.083 648 HA GLU 87 HA GLU 87 -3.964 3.706 -4.163 649 HB2 GLU 87 HB2 GLU 87 -6.173 2.495 -2.497 650 HB3 GLU 87 HB3 GLU 87 -4.994 3.682 -1.964 651 HG2 GLU 87 HG2 GLU 87 -6.650 5.130 -2.390 652 HG3 GLU 87 HG3 GLU 87 -6.069 4.994 -4.050 653 H PHE 88 H PHE 88 -5.285 0.440 -3.715 654 HA PHE 88 HA PHE 88 -3.157 -0.515 -2.134 655 HB2 PHE 88 HB2 PHE 88 -5.357 -1.670 -2.441 656 HB3 PHE 88 HB3 PHE 88 -4.836 -2.131 -4.058 657 HD1 PHE 88 HD2 PHE 88 -4.306 -2.651 -0.464 658 HD2 PHE 88 HD1 PHE 88 -3.211 -3.878 -4.391 659 HE1 PHE 88 HE2 PHE 88 -3.215 -4.650 0.468 660 HE2 PHE 88 HE1 PHE 88 -2.116 -5.877 -3.465 661 HZ PHE 88 HZ PHE 88 -2.115 -6.265 -1.033 662 H SER 89 H SER 89 -3.502 -0.049 -5.580 663 HA SER 89 HA SER 89 -1.418 -1.737 -6.403 664 HB2 SER 89 HB2 SER 89 -2.604 0.711 -7.710 665 HB3 SER 89 HB3 SER 89 -1.358 -0.276 -8.474 666 HG SER 89 HG SER 89 -3.987 -1.025 -7.733 667 H ILE 90 H ILE 90 -1.488 1.685 -5.505 668 HA ILE 90 HA ILE 90 1.224 2.196 -6.208 669 HB ILE 90 HB ILE 90 -0.591 3.934 -6.074 670 HG12 ILE 90 HG12 ILE 90 1.855 4.560 -4.408 671 HG13 ILE 90 HG13 ILE 90 1.835 4.500 -6.169 672 HG21 ILE 90 HG21 ILE 90 -1.046 4.971 -3.897 673 HG22 ILE 90 HG22 ILE 90 -0.117 3.697 -3.109 674 HG23 ILE 90 HG23 ILE 90 -1.605 3.299 -3.967 675 HD11 ILE 90 HD11 ILE 90 0.272 6.397 -4.433 676 HD12 ILE 90 HD12 ILE 90 0.202 6.328 -6.193 677 HD13 ILE 90 HD13 ILE 90 1.704 6.783 -5.388 678 H ALA 91 H ALA 91 -0.269 0.744 -3.505 679 HA ALA 91 HA ALA 91 1.704 1.426 -1.545 680 HB1 ALA 91 HB1 ALA 91 -0.366 -0.767 -1.508 681 HB2 ALA 91 HB2 ALA 91 -0.591 0.879 -0.917 682 HB3 ALA 91 HB3 ALA 91 0.566 -0.193 -0.126 683 H MET 92 H MET 92 1.628 -0.796 -4.110 684 HA MET 92 HA MET 92 3.010 -3.002 -3.093 685 HB2 MET 92 HB2 MET 92 1.942 -2.924 -5.322 686 HB3 MET 92 HB3 MET 92 3.194 -1.823 -5.871 687 HG2 MET 92 HG2 MET 92 3.844 -3.885 -6.715 688 HG3 MET 92 HG3 MET 92 4.850 -3.675 -5.287 689 HE1 MET 92 HE1 MET 92 3.261 -4.504 -2.806 690 HE2 MET 92 HE2 MET 92 4.816 -5.234 -3.210 691 HE3 MET 92 HE3 MET 92 3.447 -6.258 -2.775 692 H LYS 93 H LYS 93 4.246 0.044 -4.417 693 HA LYS 93 HA LYS 93 6.995 -0.742 -4.049 694 HB2 LYS 93 HB2 LYS 93 5.623 1.772 -4.938 695 HB3 LYS 93 HB3 LYS 93 7.324 1.810 -4.502 696 HG2 LYS 93 HG2 LYS 93 6.144 -0.000 -6.602 697 HG3 LYS 93 HG3 LYS 93 6.924 1.549 -6.929 698 HD2 LYS 93 HD2 LYS 93 8.983 0.676 -5.832 699 HD3 LYS 93 HD3 LYS 93 8.187 -0.890 -5.678 700 HE2 LYS 93 HE2 LYS 93 9.629 -0.898 -7.611 701 HE3 LYS 93 HE3 LYS 93 7.949 -0.983 -8.129 702 HZ1 LYS 93 HZ1 LYS 93 8.000 1.168 -8.932 703 HZ2 LYS 93 HZ2 LYS 93 9.551 0.615 -9.322 704 HZ3 LYS 93 HZ3 LYS 93 9.326 1.619 -7.979 705 H LEU 94 H LEU 94 4.562 0.793 -2.143 706 HA LEU 94 HA LEU 94 6.304 2.332 -0.499 707 HB2 LEU 94 HB2 LEU 94 3.886 2.807 -0.924 708 HB3 LEU 94 HB3 LEU 94 3.488 1.424 0.069 709 HG LEU 94 HG LEU 94 4.603 2.509 1.975 710 HD11 LEU 94 HD11 LEU 94 5.170 4.886 1.841 711 HD12 LEU 94 HD12 LEU 94 4.839 4.859 0.109 712 HD13 LEU 94 HD13 LEU 94 6.175 3.913 0.766 713 HD21 LEU 94 HD21 LEU 94 2.194 2.717 1.659 714 HD22 LEU 94 HD22 LEU 94 2.446 4.148 0.660 715 HD23 LEU 94 HD23 LEU 94 2.867 4.185 2.372 716 H ILE 95 H ILE 95 4.452 -0.659 0.030 717 HA ILE 95 HA ILE 95 5.218 -1.127 2.674 718 HB ILE 95 HB ILE 95 4.581 -3.218 0.580 719 HG12 ILE 95 HG12 ILE 95 2.801 -1.555 0.786 720 HG13 ILE 95 HG13 ILE 95 2.288 -3.099 1.466 721 HG21 ILE 95 HG21 ILE 95 5.622 -4.206 2.551 722 HG22 ILE 95 HG22 ILE 95 3.909 -4.624 2.483 723 HG23 ILE 95 HG23 ILE 95 4.468 -3.376 3.596 724 HD11 ILE 95 HD11 ILE 95 3.260 -0.718 3.025 725 HD12 ILE 95 HD12 ILE 95 2.742 -2.260 3.708 726 HD13 ILE 95 HD13 ILE 95 1.584 -1.239 2.854 727 H LYS 96 H LYS 96 6.768 -2.095 -0.341 728 HA LYS 96 HA LYS 96 8.697 -3.802 0.768 729 HB2 LYS 96 HB2 LYS 96 8.060 -3.579 -1.675 730 HB3 LYS 96 HB3 LYS 96 9.065 -2.136 -1.721 731 HG2 LYS 96 HG2 LYS 96 11.021 -3.416 -1.178 732 HG3 LYS 96 HG3 LYS 96 10.047 -4.869 -0.936 733 HD2 LYS 96 HD2 LYS 96 9.355 -4.732 -3.318 734 HD3 LYS 96 HD3 LYS 96 10.471 -3.380 -3.524 735 HE2 LYS 96 HE2 LYS 96 11.457 -5.494 -4.272 736 HE3 LYS 96 HE3 LYS 96 12.342 -4.806 -2.913 737 HZ1 LYS 96 HZ1 LYS 96 12.006 -7.203 -2.677 738 HZ2 LYS 96 HZ2 LYS 96 10.325 -6.983 -2.704 739 HZ3 LYS 96 HZ3 LYS 96 11.246 -6.344 -1.430 740 H LEU 97 H LEU 97 8.850 -0.345 -0.053 741 HA LEU 97 HA LEU 97 11.525 -0.043 0.873 742 HB2 LEU 97 HB2 LEU 97 9.376 1.807 -0.020 743 HB3 LEU 97 HB3 LEU 97 10.701 2.479 0.909 744 HG LEU 97 HG LEU 97 11.113 2.743 -1.470 745 HD11 LEU 97 HD11 LEU 97 12.909 0.677 -0.215 746 HD12 LEU 97 HD12 LEU 97 13.029 2.426 -0.025 747 HD13 LEU 97 HD13 LEU 97 13.317 1.687 -1.601 748 HD21 LEU 97 HD21 LEU 97 11.457 0.805 -2.926 749 HD22 LEU 97 HD22 LEU 97 9.805 0.875 -2.311 750 HD23 LEU 97 HD23 LEU 97 10.958 -0.264 -1.615 751 H LYS 98 H LYS 98 8.438 0.008 2.446 752 HA LYS 98 HA LYS 98 9.296 1.379 4.802 753 HB2 LYS 98 HB2 LYS 98 6.967 -0.433 4.203 754 HB3 LYS 98 HB3 LYS 98 7.256 0.196 5.822 755 HG2 LYS 98 HG2 LYS 98 7.007 1.970 3.410 756 HG3 LYS 98 HG3 LYS 98 5.625 1.484 4.393 757 HD2 LYS 98 HD2 LYS 98 6.276 2.747 6.183 758 HD3 LYS 98 HD3 LYS 98 7.989 2.633 5.784 759 HE2 LYS 98 HE2 LYS 98 5.973 4.251 4.232 760 HE3 LYS 98 HE3 LYS 98 7.035 4.909 5.478 761 HZ1 LYS 98 HZ1 LYS 98 7.889 3.632 2.939 762 HZ2 LYS 98 HZ2 LYS 98 8.941 4.159 4.157 763 HZ3 LYS 98 HZ3 LYS 98 7.984 5.279 3.317 764 H LEU 99 H LEU 99 9.221 -1.975 3.779 765 HA LEU 99 HA LEU 99 10.249 -2.979 6.260 766 HB2 LEU 99 HB2 LEU 99 9.961 -4.185 3.516 767 HB3 LEU 99 HB3 LEU 99 10.645 -5.062 4.871 768 HG LEU 99 HG LEU 99 7.856 -3.905 4.836 769 HD11 LEU 99 HD11 LEU 99 8.766 -6.746 4.385 770 HD12 LEU 99 HD12 LEU 99 8.078 -5.673 3.166 771 HD13 LEU 99 HD13 LEU 99 7.094 -6.204 4.530 772 HD21 LEU 99 HD21 LEU 99 7.532 -5.339 6.798 773 HD22 LEU 99 HD22 LEU 99 8.806 -4.149 7.067 774 HD23 LEU 99 HD23 LEU 99 9.225 -5.825 6.718 775 H GLN 100 H GLN 100 11.591 -1.323 3.645 776 HA GLN 100 HA GLN 100 14.261 -2.417 3.916 777 HB2 GLN 100 HB2 GLN 100 13.203 -0.059 2.355 778 HB3 GLN 100 HB3 GLN 100 14.884 -0.568 2.344 779 HG2 GLN 100 HG2 GLN 100 12.531 -2.184 1.400 780 HG3 GLN 100 HG3 GLN 100 13.712 -1.364 0.381 781 HE21 GLN 100 HE21 GLN 100 15.832 -2.180 0.286 782 HE22 GLN 100 HE22 GLN 100 16.186 -3.819 0.719 783 H GLY 101 H GLY 101 12.381 -0.149 5.545 784 HA2 GLY 101 HA2 GLY 101 13.243 0.696 7.630 785 HA3 GLY 101 HA3 GLY 101 14.807 0.883 6.856 786 H TYR 102 H TYR 102 12.835 1.983 4.541 787 HA TYR 102 HA TYR 102 13.330 4.732 5.289 788 HB2 TYR 102 HB2 TYR 102 12.134 3.510 2.821 789 HB3 TYR 102 HB3 TYR 102 12.231 5.238 3.067 790 HD1 TYR 102 HD2 TYR 102 14.388 6.382 3.078 791 HD2 TYR 102 HD1 TYR 102 14.110 2.221 2.231 792 HE1 TYR 102 HE2 TYR 102 16.647 6.438 2.112 793 HE2 TYR 102 HE1 TYR 102 16.370 2.265 1.257 794 HH TYR 102 HH TYR 102 18.517 4.792 1.701 795 H GLN 103 H GLN 103 11.806 6.331 5.413 796 HA GLN 103 HA GLN 103 9.058 5.426 5.915 797 HB2 GLN 103 HB2 GLN 103 8.925 7.249 7.672 798 HB3 GLN 103 HB3 GLN 103 9.871 5.834 8.084 799 HG2 GLN 103 HG2 GLN 103 11.061 7.687 8.891 800 HG3 GLN 103 HG3 GLN 103 11.919 7.144 7.453 801 HE21 GLN 103 HE21 GLN 103 12.153 8.513 5.760 802 HE22 GLN 103 HE22 GLN 103 11.576 10.145 5.750 803 H LEU 104 H LEU 104 7.485 7.307 5.876 804 HA LEU 104 HA LEU 104 8.229 9.499 4.127 805 HB2 LEU 104 HB2 LEU 104 6.349 7.304 3.273 806 HB3 LEU 104 HB3 LEU 104 6.252 8.916 2.597 807 HG LEU 104 HG LEU 104 8.673 7.116 2.427 808 HD11 LEU 104 HD11 LEU 104 8.087 6.906 0.061 809 HD12 LEU 104 HD12 LEU 104 6.615 7.836 0.343 810 HD13 LEU 104 HD13 LEU 104 6.817 6.257 1.100 811 HD21 LEU 104 HD21 LEU 104 9.226 9.500 2.422 812 HD22 LEU 104 HD22 LEU 104 8.076 9.763 1.109 813 HD23 LEU 104 HD23 LEU 104 9.508 8.768 0.842 814 HA PRO 105 HA PRO 105 4.900 11.413 6.393 815 HB2 PRO 105 HB2 PRO 105 4.493 13.320 4.251 816 HB3 PRO 105 HB3 PRO 105 5.260 13.576 5.818 817 HG2 PRO 105 HG2 PRO 105 6.616 13.636 3.455 818 HG3 PRO 105 HG3 PRO 105 7.358 13.177 4.998 819 HD2 PRO 105 HD2 PRO 105 6.360 11.430 2.781 820 HD3 PRO 105 HD3 PRO 105 7.833 11.271 3.764 821 H SER 106 H SER 106 2.717 12.744 5.419 822 HA SER 106 HA SER 106 1.080 10.564 4.459 823 HB2 SER 106 HB2 SER 106 0.388 13.407 5.218 824 HB3 SER 106 HB3 SER 106 -0.784 12.171 4.776 825 HG SER 106 HG SER 106 -0.720 11.982 6.918 826 H ALA 107 H ALA 107 3.074 12.378 2.840 827 HA ALA 107 HA ALA 107 1.287 12.677 0.533 828 HB1 ALA 107 HB1 ALA 107 2.676 14.562 -0.214 829 HB2 ALA 107 HB2 ALA 107 3.623 14.432 1.270 830 HB3 ALA 107 HB3 ALA 107 1.917 14.871 1.347 831 H LEU 108 H LEU 108 1.760 11.189 -0.940 832 HA LEU 108 HA LEU 108 4.410 10.057 -1.169 833 HB2 LEU 108 HB2 LEU 108 1.823 9.599 -2.643 834 HB3 LEU 108 HB3 LEU 108 3.325 8.845 -3.143 835 HG LEU 108 HG LEU 108 2.024 8.469 -0.443 836 HD11 LEU 108 HD11 LEU 108 0.713 7.474 -2.266 837 HD12 LEU 108 HD12 LEU 108 1.444 6.247 -1.232 838 HD13 LEU 108 HD13 LEU 108 2.148 6.604 -2.809 839 HD21 LEU 108 HD21 LEU 108 4.391 7.121 -1.737 840 HD22 LEU 108 HD22 LEU 108 3.657 6.653 -0.204 841 HD23 LEU 108 HD23 LEU 108 4.440 8.226 -0.363 842 HA PRO 109 HA PRO 109 6.032 12.834 -4.167 843 HB2 PRO 109 HB2 PRO 109 7.471 11.054 -5.706 844 HB3 PRO 109 HB3 PRO 109 8.033 11.732 -4.174 845 HG2 PRO 109 HG2 PRO 109 6.765 9.084 -4.728 846 HG3 PRO 109 HG3 PRO 109 8.112 9.477 -3.644 847 HD2 PRO 109 HD2 PRO 109 5.638 9.049 -2.702 848 HD3 PRO 109 HD3 PRO 109 6.708 10.268 -1.979 849 HA PRO 110 HA PRO 110 3.343 12.807 -7.656 850 HB2 PRO 110 HB2 PRO 110 5.518 14.067 -9.206 851 HB3 PRO 110 HB3 PRO 110 3.917 14.688 -8.806 852 HG2 PRO 110 HG2 PRO 110 6.106 15.666 -7.633 853 HG3 PRO 110 HG3 PRO 110 4.592 15.466 -6.730 854 HD2 PRO 110 HD2 PRO 110 7.038 13.732 -6.739 855 HD3 PRO 110 HD3 PRO 110 6.031 14.249 -5.368 856 H VAL 111 H VAL 111 6.274 11.153 -7.667 857 HA VAL 111 HA VAL 111 6.239 10.307 -10.421 858 HB VAL 111 HB VAL 111 7.873 9.211 -8.128 859 HG11 VAL 111 HG11 VAL 111 7.793 7.699 -10.028 860 HG12 VAL 111 HG12 VAL 111 9.391 8.435 -9.896 861 HG13 VAL 111 HG13 VAL 111 8.254 9.011 -11.114 862 HG21 VAL 111 HG21 VAL 111 8.545 11.368 -10.126 863 HG22 VAL 111 HG22 VAL 111 9.660 10.674 -8.948 864 HG23 VAL 111 HG23 VAL 111 8.260 11.594 -8.398 865 H MET 112 H MET 112 5.258 8.982 -7.304 866 HA MET 112 HA MET 112 4.722 6.351 -8.319 867 HB2 MET 112 HB2 MET 112 3.693 7.671 -5.801 868 HB3 MET 112 HB3 MET 112 3.617 5.956 -6.171 869 HG2 MET 112 HG2 MET 112 6.092 5.911 -6.206 870 HG3 MET 112 HG3 MET 112 6.083 7.593 -5.674 871 HE1 MET 112 HE1 MET 112 4.550 4.011 -3.207 872 HE2 MET 112 HE2 MET 112 5.359 3.881 -4.768 873 HE3 MET 112 HE3 MET 112 3.735 4.565 -4.671 874 H LYS 113 H LYS 113 2.710 9.088 -7.345 875 HA LYS 113 HA LYS 113 0.282 7.837 -8.204 876 HB2 LYS 113 HB2 LYS 113 -0.658 10.172 -7.709 877 HB3 LYS 113 HB3 LYS 113 0.029 9.271 -6.367 878 HG2 LYS 113 HG2 LYS 113 0.981 11.302 -5.987 879 HG3 LYS 113 HG3 LYS 113 2.206 10.598 -7.039 880 HD2 LYS 113 HD2 LYS 113 1.705 12.883 -7.708 881 HD3 LYS 113 HD3 LYS 113 1.206 11.746 -8.961 882 HE2 LYS 113 HE2 LYS 113 -0.453 13.538 -8.547 883 HE3 LYS 113 HE3 LYS 113 -1.095 11.918 -8.271 884 HZ1 LYS 113 HZ1 LYS 113 -0.157 13.796 -6.171 885 HZ2 LYS 113 HZ2 LYS 113 -0.744 12.235 -5.897 886 HZ3 LYS 113 HZ3 LYS 113 -1.771 13.423 -6.522 887 H GLN 114 H GLN 114 2.709 9.644 -9.703 888 HA GLN 114 HA GLN 114 3.087 10.276 -11.827 889 HB2 GLN 114 HB2 GLN 114 0.719 8.492 -12.396 890 HB3 GLN 114 HB3 GLN 114 1.842 9.103 -13.603 891 HG2 GLN 114 HG2 GLN 114 3.671 7.913 -12.459 892 HG3 GLN 114 HG3 GLN 114 2.498 7.249 -11.324 893 HE21 GLN 114 HE21 GLN 114 2.912 5.142 -11.924 894 HE22 GLN 114 HE22 GLN 114 2.418 4.495 -13.448 895 H GLN 115 H GLN 115 1.557 10.803 -13.975 896 HA GLN 115 HA GLN 115 -0.212 12.988 -13.104 897 HB2 GLN 115 HB2 GLN 115 1.837 13.863 -14.115 898 HB3 GLN 115 HB3 GLN 115 1.617 12.827 -15.516 899 HG2 GLN 115 HG2 GLN 115 -0.451 14.051 -16.060 900 HG3 GLN 115 HG3 GLN 115 -0.140 15.127 -14.697 901 HE21 GLN 115 HE21 GLN 115 0.012 16.931 -16.032 902 HE22 GLN 115 HE22 GLN 115 1.377 17.206 -17.062 903 HA PRO 116 HA PRO 116 -3.170 10.450 -15.283 904 HB2 PRO 116 HB2 PRO 116 -5.285 12.137 -15.044 905 HB3 PRO 116 HB3 PRO 116 -4.730 11.096 -13.728 906 HG2 PRO 116 HG2 PRO 116 -4.219 14.000 -14.194 907 HG3 PRO 116 HG3 PRO 116 -4.579 13.145 -12.689 908 HD2 PRO 116 HD2 PRO 116 -2.064 13.898 -13.383 909 HD3 PRO 116 HD3 PRO 116 -2.402 12.459 -12.399 910 H VAL 117 H VAL 117 -3.229 10.308 -17.396 911 HA VAL 117 HA VAL 117 -2.861 12.660 -19.031 912 HB VAL 117 HB VAL 117 -2.876 11.062 -20.943 913 HG11 VAL 117 HG11 VAL 117 -0.626 10.194 -20.437 914 HG12 VAL 117 HG12 VAL 117 -0.871 10.601 -18.739 915 HG13 VAL 117 HG13 VAL 117 -0.814 11.879 -19.952 916 HG21 VAL 117 HG21 VAL 117 -4.138 9.225 -19.938 917 HG22 VAL 117 HG22 VAL 117 -2.858 8.985 -18.748 918 HG23 VAL 117 HG23 VAL 117 -2.545 8.672 -20.455 919 H ALA 118 H ALA 118 -4.691 13.732 -18.731 920 HA ALA 118 HA ALA 118 -6.876 13.396 -20.414 921 HB1 ALA 118 HB1 ALA 118 -7.448 12.531 -17.574 922 HB2 ALA 118 HB2 ALA 118 -7.471 11.485 -18.993 923 HB3 ALA 118 HB3 ALA 118 -8.656 12.783 -18.835 924 H ILE 119 H ILE 119 -7.984 15.282 -20.492 925 HA ILE 119 HA ILE 119 -7.204 17.327 -18.560 926 HB ILE 119 HB ILE 119 -6.907 17.902 -20.893 927 HG12 ILE 119 HG12 ILE 119 -9.247 19.437 -19.748 928 HG13 ILE 119 HG13 ILE 119 -7.562 19.678 -19.291 929 HG21 ILE 119 HG21 ILE 119 -9.868 17.461 -21.201 930 HG22 ILE 119 HG22 ILE 119 -8.581 16.465 -21.885 931 HG23 ILE 119 HG23 ILE 119 -8.793 18.131 -22.428 932 HD11 ILE 119 HD11 ILE 119 -8.724 20.095 -22.035 933 HD12 ILE 119 HD12 ILE 119 -7.040 20.344 -21.577 934 HD13 ILE 119 HD13 ILE 119 -8.304 21.357 -20.878 935 H SER 120 H SER 120 -8.559 18.137 -17.089 936 HA SER 120 HA SER 120 -11.137 16.792 -16.834 937 HB2 SER 120 HB2 SER 120 -9.612 18.490 -14.846 938 HB3 SER 120 HB3 SER 120 -11.065 17.549 -14.507 939 HG SER 120 HG SER 120 -8.806 16.288 -15.610 940 H SER 121 H SER 121 -13.034 17.967 -16.154 941 HA SER 121 HA SER 121 -13.060 20.847 -16.478 942 HB2 SER 121 HB2 SER 121 -13.382 19.883 -18.798 943 HB3 SER 121 HB3 SER 121 -14.871 19.143 -18.213 944 HG SER 121 HG SER 121 -15.834 21.039 -18.201 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -14.924 -13.481 -3.104 2 H2 MET 1 H2 MET 1 -16.428 -12.982 -3.712 3 H3 MET 1 H3 MET 1 -15.067 -11.993 -3.899 4 HA MET 1 HA MET 1 -15.685 -13.156 -5.944 5 HB2 MET 1 HB2 MET 1 -13.456 -13.838 -6.539 6 HB3 MET 1 HB3 MET 1 -13.331 -12.454 -5.462 7 HG2 MET 1 HG2 MET 1 -12.712 -13.868 -3.624 8 HG3 MET 1 HG3 MET 1 -13.008 -15.318 -4.583 9 HE1 MET 1 HE1 MET 1 -11.537 -15.974 -6.735 10 HE2 MET 1 HE2 MET 1 -10.183 -15.003 -7.311 11 HE3 MET 1 HE3 MET 1 -11.825 -14.367 -7.398 12 H GLY 2 H GLY 2 -14.984 -15.350 -7.036 13 HA2 GLY 2 HA2 GLY 2 -14.720 -17.768 -6.471 14 HA3 GLY 2 HA3 GLY 2 -15.992 -17.514 -5.285 15 H HIS 3 H HIS 3 -15.530 -16.691 -8.713 16 HA HIS 3 HA HIS 3 -18.198 -17.838 -9.223 17 HB2 HIS 3 HB2 HIS 3 -16.679 -15.745 -10.799 18 HB3 HIS 3 HB3 HIS 3 -18.230 -16.428 -11.271 19 HD1 HIS 3 HD1 HIS 3 -20.281 -15.849 -9.631 20 HD2 HIS 3 HD2 HIS 3 -16.810 -13.626 -9.086 21 HE1 HIS 3 HE1 HIS 3 -20.969 -13.831 -8.289 22 HE2 HIS 3 HE2 HIS 3 -18.830 -12.555 -7.878 23 H HIS 4 H HIS 4 -18.013 -19.827 -9.969 24 HA HIS 4 HA HIS 4 -17.497 -21.579 -11.310 25 HB2 HIS 4 HB2 HIS 4 -15.980 -19.512 -12.910 26 HB3 HIS 4 HB3 HIS 4 -16.089 -21.206 -13.377 27 HD1 HIS 4 HD1 HIS 4 -18.188 -21.953 -14.567 28 HD2 HIS 4 HD2 HIS 4 -18.479 -18.101 -13.016 29 HE1 HIS 4 HE1 HIS 4 -20.332 -21.007 -15.485 30 HE2 HIS 4 HE2 HIS 4 -20.562 -18.737 -14.412 31 H HIS 5 H HIS 5 -16.244 -23.189 -10.745 32 HA HIS 5 HA HIS 5 -13.484 -22.576 -9.903 33 HB2 HIS 5 HB2 HIS 5 -13.624 -24.568 -8.420 34 HB3 HIS 5 HB3 HIS 5 -14.779 -23.315 -7.993 35 HD1 HIS 5 HD1 HIS 5 -14.526 -26.849 -9.061 36 HD2 HIS 5 HD2 HIS 5 -17.501 -23.986 -8.521 37 HE1 HIS 5 HE1 HIS 5 -16.701 -28.115 -9.059 38 HE2 HIS 5 HE2 HIS 5 -18.494 -26.366 -8.768 39 H HIS 6 H HIS 6 -14.867 -23.457 -12.487 40 HA HIS 6 HA HIS 6 -13.559 -25.951 -13.106 41 HB2 HIS 6 HB2 HIS 6 -15.698 -25.465 -14.157 42 HB3 HIS 6 HB3 HIS 6 -15.062 -23.970 -14.831 43 HD1 HIS 6 HD1 HIS 6 -14.875 -27.717 -15.276 44 HD2 HIS 6 HD2 HIS 6 -13.682 -24.227 -17.208 45 HE1 HIS 6 HE1 HIS 6 -14.076 -28.433 -17.555 46 HE2 HIS 6 HE2 HIS 6 -13.544 -26.285 -18.769 47 H HIS 7 H HIS 7 -11.390 -25.718 -12.964 48 HA HIS 7 HA HIS 7 -10.159 -23.946 -14.963 49 HB2 HIS 7 HB2 HIS 7 -9.892 -23.071 -12.603 50 HB3 HIS 7 HB3 HIS 7 -8.962 -24.520 -12.243 51 HD1 HIS 7 HD1 HIS 7 -6.566 -24.683 -13.276 52 HD2 HIS 7 HD2 HIS 7 -8.577 -21.133 -14.092 53 HE1 HIS 7 HE1 HIS 7 -4.821 -23.099 -14.151 54 HE2 HIS 7 HE2 HIS 7 -6.020 -20.895 -14.389 55 H HIS 8 H HIS 8 -9.603 -25.420 -16.470 56 HA HIS 8 HA HIS 8 -7.998 -27.717 -15.548 57 HB2 HIS 8 HB2 HIS 8 -10.435 -28.259 -16.238 58 HB3 HIS 8 HB3 HIS 8 -9.893 -27.937 -17.881 59 HD1 HIS 8 HD1 HIS 8 -8.994 -29.913 -19.101 60 HD2 HIS 8 HD2 HIS 8 -8.815 -30.392 -14.975 61 HE1 HIS 8 HE1 HIS 8 -8.149 -32.251 -18.726 62 HE2 HIS 8 HE2 HIS 8 -7.824 -32.424 -16.231 63 H SER 9 H SER 9 -8.069 -24.964 -17.312 64 HA SER 9 HA SER 9 -6.473 -25.864 -19.542 65 HB2 SER 9 HB2 SER 9 -7.104 -23.044 -18.636 66 HB3 SER 9 HB3 SER 9 -6.456 -23.522 -20.207 67 HG SER 9 HG SER 9 -8.373 -24.384 -20.767 68 H HIS 10 H HIS 10 -4.738 -26.816 -18.372 69 HA HIS 10 HA HIS 10 -3.094 -25.199 -16.666 70 HB2 HIS 10 HB2 HIS 10 -3.219 -27.623 -16.302 71 HB3 HIS 10 HB3 HIS 10 -2.535 -27.905 -17.901 72 HD1 HIS 10 HD1 HIS 10 0.006 -27.645 -18.174 73 HD2 HIS 10 HD2 HIS 10 -1.372 -26.669 -14.368 74 HE1 HIS 10 HE1 HIS 10 2.058 -27.429 -16.739 75 HE2 HIS 10 HE2 HIS 10 1.215 -26.722 -14.473 76 H MET 11 H MET 11 -1.727 -23.735 -17.338 77 HA MET 11 HA MET 11 0.059 -24.320 -19.530 78 HB2 MET 11 HB2 MET 11 -1.884 -23.250 -20.659 79 HB3 MET 11 HB3 MET 11 -1.674 -21.839 -19.630 80 HG2 MET 11 HG2 MET 11 0.466 -21.378 -20.602 81 HG3 MET 11 HG3 MET 11 0.417 -22.878 -21.524 82 HE1 MET 11 HE1 MET 11 -2.644 -22.926 -22.489 83 HE2 MET 11 HE2 MET 11 -1.267 -23.335 -23.514 84 HE3 MET 11 HE3 MET 11 -2.470 -22.175 -24.076 85 H ALA 12 H ALA 12 1.521 -24.357 -17.810 86 HA ALA 12 HA ALA 12 2.165 -21.710 -16.693 87 HB1 ALA 12 HB1 ALA 12 1.254 -23.173 -14.948 88 HB2 ALA 12 HB2 ALA 12 2.956 -22.812 -14.661 89 HB3 ALA 12 HB3 ALA 12 2.486 -24.380 -15.317 90 H GLN 13 H GLN 13 3.459 -21.529 -18.599 91 HA GLN 13 HA GLN 13 6.097 -22.765 -18.225 92 HB2 GLN 13 HB2 GLN 13 4.705 -23.791 -20.141 93 HB3 GLN 13 HB3 GLN 13 4.918 -22.251 -20.961 94 HG2 GLN 13 HG2 GLN 13 6.537 -23.897 -21.720 95 HG3 GLN 13 HG3 GLN 13 7.333 -22.545 -20.914 96 HE21 GLN 13 HE21 GLN 13 6.492 -25.910 -20.727 97 HE22 GLN 13 HE22 GLN 13 7.549 -26.301 -19.413 98 H PHE 14 H PHE 14 4.811 -20.227 -17.503 99 HA PHE 14 HA PHE 14 6.267 -18.334 -19.203 100 HB2 PHE 14 HB2 PHE 14 4.789 -16.594 -18.198 101 HB3 PHE 14 HB3 PHE 14 3.916 -17.815 -19.113 102 HD1 PHE 14 HD1 PHE 14 2.620 -19.562 -17.901 103 HD2 PHE 14 HD2 PHE 14 4.387 -16.250 -15.894 104 HE1 PHE 14 HE1 PHE 14 1.153 -19.955 -15.965 105 HE2 PHE 14 HE2 PHE 14 2.929 -16.640 -13.952 106 HZ PHE 14 HZ PHE 14 1.309 -18.495 -13.989 107 HA PRO 15 HA PRO 15 8.970 -17.789 -15.689 108 HB2 PRO 15 HB2 PRO 15 10.451 -15.937 -17.343 109 HB3 PRO 15 HB3 PRO 15 10.925 -17.547 -16.797 110 HG2 PRO 15 HG2 PRO 15 10.368 -16.919 -19.401 111 HG3 PRO 15 HG3 PRO 15 10.197 -18.547 -18.724 112 HD2 PRO 15 HD2 PRO 15 8.105 -16.477 -19.254 113 HD3 PRO 15 HD3 PRO 15 8.034 -18.239 -19.478 114 H THR 16 H THR 16 8.820 -16.363 -14.102 115 HA THR 16 HA THR 16 7.256 -14.000 -14.342 116 HB THR 16 HB THR 16 9.142 -14.749 -12.094 117 HG1 THR 16 HG1 THR 16 7.429 -16.345 -12.708 118 HG21 THR 16 HG21 THR 16 6.708 -12.962 -12.170 119 HG22 THR 16 HG22 THR 16 8.382 -12.438 -11.991 120 HG23 THR 16 HG23 THR 16 7.617 -13.387 -10.718 121 HA PRO 17 HA PRO 17 10.624 -11.468 -15.884 122 HB2 PRO 17 HB2 PRO 17 8.809 -9.213 -15.622 123 HB3 PRO 17 HB3 PRO 17 9.466 -9.941 -17.088 124 HG2 PRO 17 HG2 PRO 17 6.845 -10.127 -16.391 125 HG3 PRO 17 HG3 PRO 17 7.686 -11.370 -17.333 126 HD2 PRO 17 HD2 PRO 17 6.988 -11.342 -14.423 127 HD3 PRO 17 HD3 PRO 17 6.942 -12.686 -15.583 128 H PHE 18 H PHE 18 11.967 -11.501 -14.082 129 HA PHE 18 HA PHE 18 11.377 -9.542 -11.969 130 HB2 PHE 18 HB2 PHE 18 12.776 -10.877 -10.481 131 HB3 PHE 18 HB3 PHE 18 11.502 -11.872 -11.172 132 HD1 PHE 18 HD1 PHE 18 12.289 -13.022 -13.505 133 HD2 PHE 18 HD2 PHE 18 14.829 -11.849 -10.300 134 HE1 PHE 18 HE1 PHE 18 13.971 -14.666 -14.238 135 HE2 PHE 18 HE2 PHE 18 16.519 -13.478 -11.035 136 HZ PHE 18 HZ PHE 18 16.090 -14.891 -13.007 137 H GLY 19 H GLY 19 12.816 -8.000 -11.457 138 HA2 GLY 19 HA2 GLY 19 15.527 -7.893 -11.823 139 HA3 GLY 19 HA3 GLY 19 14.864 -7.384 -13.373 140 H GLY 20 H GLY 20 13.844 -6.835 -10.025 141 HA2 GLY 20 HA2 GLY 20 12.802 -4.294 -10.465 142 HA3 GLY 20 HA3 GLY 20 13.281 -4.927 -8.897 143 H SER 21 H SER 21 13.899 -2.695 -11.310 144 HA SER 21 HA SER 21 15.942 -1.404 -9.793 145 HB2 SER 21 HB2 SER 21 17.610 -1.428 -11.710 146 HB3 SER 21 HB3 SER 21 17.437 -2.949 -10.837 147 HG SER 21 HG SER 21 15.818 -3.443 -12.576 148 H LEU 22 H LEU 22 16.273 0.730 -10.479 149 HA LEU 22 HA LEU 22 15.795 2.727 -11.393 150 HB2 LEU 22 HB2 LEU 22 14.705 1.155 -13.722 151 HB3 LEU 22 HB3 LEU 22 15.068 2.864 -13.699 152 HG LEU 22 HG LEU 22 17.099 0.655 -13.414 153 HD11 LEU 22 HD11 LEU 22 16.491 2.501 -15.720 154 HD12 LEU 22 HD12 LEU 22 16.194 0.762 -15.662 155 HD13 LEU 22 HD13 LEU 22 17.849 1.377 -15.635 156 HD21 LEU 22 HD21 LEU 22 17.740 2.671 -12.193 157 HD22 LEU 22 HD22 LEU 22 17.465 3.642 -13.640 158 HD23 LEU 22 HD23 LEU 22 18.756 2.438 -13.615 159 H ASP 23 H ASP 23 14.066 4.198 -11.727 160 HA ASP 23 HA ASP 23 12.133 5.099 -11.015 161 HB2 ASP 23 HB2 ASP 23 11.180 2.780 -12.679 162 HB3 ASP 23 HB3 ASP 23 10.114 4.021 -12.050 163 H THR 24 H THR 24 12.737 4.492 -8.814 164 HA THR 24 HA THR 24 11.602 2.180 -7.588 165 HB THR 24 HB THR 24 12.673 4.655 -6.238 166 HG1 THR 24 HG1 THR 24 14.664 3.923 -6.653 167 HG21 THR 24 HG21 THR 24 12.569 1.768 -5.353 168 HG22 THR 24 HG22 THR 24 11.511 3.055 -4.774 169 HG23 THR 24 HG23 THR 24 13.242 3.111 -4.429 170 H TRP 25 H TRP 25 10.650 5.530 -7.981 171 HA TRP 25 HA TRP 25 8.381 5.178 -6.173 172 HB2 TRP 25 HB2 TRP 25 9.563 7.552 -7.576 173 HB3 TRP 25 HB3 TRP 25 7.963 7.616 -6.854 174 HD1 TRP 25 HD1 TRP 25 11.262 8.637 -6.010 175 HE1 TRP 25 HE1 TRP 25 11.685 8.674 -3.472 176 HE3 TRP 25 HE3 TRP 25 7.287 5.792 -4.479 177 HZ2 TRP 25 HZ2 TRP 25 10.492 7.628 -1.129 178 HZ3 TRP 25 HZ3 TRP 25 7.006 5.357 -2.073 179 HH2 TRP 25 HH2 TRP 25 8.576 6.254 -0.435 180 H ALA 26 H ALA 26 8.975 4.422 -9.243 181 HA ALA 26 HA ALA 26 6.405 5.294 -10.320 182 HB1 ALA 26 HB1 ALA 26 7.180 4.425 -12.446 183 HB2 ALA 26 HB2 ALA 26 8.608 3.740 -11.667 184 HB3 ALA 26 HB3 ALA 26 8.397 5.489 -11.740 185 H ILE 27 H ILE 27 5.310 3.529 -11.731 186 HA ILE 27 HA ILE 27 4.851 1.206 -10.019 187 HB ILE 27 HB ILE 27 3.291 2.211 -12.412 188 HG12 ILE 27 HG12 ILE 27 2.602 2.239 -9.463 189 HG13 ILE 27 HG13 ILE 27 3.166 3.635 -10.375 190 HG21 ILE 27 HG21 ILE 27 2.712 -0.059 -10.514 191 HG22 ILE 27 HG22 ILE 27 3.093 -0.195 -12.230 192 HG23 ILE 27 HG23 ILE 27 1.587 0.565 -11.718 193 HD11 ILE 27 HD11 ILE 27 1.179 3.540 -11.770 194 HD12 ILE 27 HD12 ILE 27 0.749 3.653 -10.063 195 HD13 ILE 27 HD13 ILE 27 0.626 2.107 -10.902 196 H THR 28 H THR 28 5.858 -0.620 -10.459 197 HA THR 28 HA THR 28 6.941 -1.049 -13.165 198 HB THR 28 HB THR 28 7.813 -2.597 -10.752 199 HG1 THR 28 HG1 THR 28 7.903 -0.491 -10.014 200 HG21 THR 28 HG21 THR 28 9.986 -2.545 -11.893 201 HG22 THR 28 HG22 THR 28 9.311 -1.509 -13.149 202 HG23 THR 28 HG23 THR 28 8.732 -3.164 -12.966 203 H VAL 29 H VAL 29 7.241 -3.557 -13.554 204 HA VAL 29 HA VAL 29 4.803 -4.935 -13.496 205 HB VAL 29 HB VAL 29 7.579 -6.147 -13.614 206 HG11 VAL 29 HG11 VAL 29 5.822 -7.786 -13.191 207 HG12 VAL 29 HG12 VAL 29 6.481 -7.978 -14.816 208 HG13 VAL 29 HG13 VAL 29 4.918 -7.193 -14.585 209 HG21 VAL 29 HG21 VAL 29 7.364 -4.447 -15.322 210 HG22 VAL 29 HG22 VAL 29 5.818 -5.120 -15.839 211 HG23 VAL 29 HG23 VAL 29 7.301 -6.045 -16.066 212 H GLU 30 H GLU 30 7.429 -4.665 -11.225 213 HA GLU 30 HA GLU 30 6.824 -6.675 -9.396 214 HB2 GLU 30 HB2 GLU 30 8.842 -5.316 -9.225 215 HB3 GLU 30 HB3 GLU 30 7.885 -3.866 -8.959 216 HG2 GLU 30 HG2 GLU 30 8.617 -4.388 -6.844 217 HG3 GLU 30 HG3 GLU 30 7.009 -5.110 -6.877 218 H GLU 31 H GLU 31 5.827 -3.256 -9.220 219 HA GLU 31 HA GLU 31 3.970 -3.461 -7.179 220 HB2 GLU 31 HB2 GLU 31 4.161 -1.668 -9.573 221 HB3 GLU 31 HB3 GLU 31 2.814 -1.523 -8.464 222 HG2 GLU 31 HG2 GLU 31 4.452 0.103 -7.891 223 HG3 GLU 31 HG3 GLU 31 4.422 -1.126 -6.634 224 H ARG 32 H ARG 32 3.539 -3.884 -10.645 225 HA ARG 32 HA ARG 32 0.743 -4.175 -10.596 226 HB2 ARG 32 HB2 ARG 32 2.328 -3.668 -12.552 227 HB3 ARG 32 HB3 ARG 32 2.536 -5.407 -12.676 228 HG2 ARG 32 HG2 ARG 32 0.213 -5.721 -13.138 229 HG3 ARG 32 HG3 ARG 32 -0.139 -4.029 -12.769 230 HD2 ARG 32 HD2 ARG 32 1.585 -3.558 -14.670 231 HD3 ARG 32 HD3 ARG 32 1.221 -5.215 -15.154 232 HE ARG 32 HE ARG 32 -1.153 -3.690 -14.716 233 HH11 ARG 32 HH11 ARG 32 1.426 -4.206 -17.040 234 HH12 ARG 32 HH12 ARG 32 0.446 -3.763 -18.409 235 HH21 ARG 32 HH21 ARG 32 -2.430 -3.090 -16.521 236 HH22 ARG 32 HH22 ARG 32 -1.734 -3.143 -18.115 237 H ALA 33 H ALA 33 3.370 -6.521 -10.378 238 HA ALA 33 HA ALA 33 1.678 -8.818 -10.427 239 HB1 ALA 33 HB1 ALA 33 4.505 -8.538 -9.420 240 HB2 ALA 33 HB2 ALA 33 4.029 -8.949 -11.068 241 HB3 ALA 33 HB3 ALA 33 3.668 -10.056 -9.744 242 H LYS 34 H LYS 34 3.202 -6.909 -7.859 243 HA LYS 34 HA LYS 34 2.388 -8.614 -5.736 244 HB2 LYS 34 HB2 LYS 34 3.257 -5.724 -5.799 245 HB3 LYS 34 HB3 LYS 34 2.872 -6.571 -4.305 246 HG2 LYS 34 HG2 LYS 34 5.033 -7.320 -6.269 247 HG3 LYS 34 HG3 LYS 34 5.260 -6.575 -4.684 248 HD2 LYS 34 HD2 LYS 34 4.226 -8.542 -3.638 249 HD3 LYS 34 HD3 LYS 34 4.065 -9.288 -5.224 250 HE2 LYS 34 HE2 LYS 34 6.685 -8.463 -3.981 251 HE3 LYS 34 HE3 LYS 34 6.030 -10.100 -3.945 252 HZ1 LYS 34 HZ1 LYS 34 6.028 -10.028 -6.419 253 HZ2 LYS 34 HZ2 LYS 34 7.571 -9.964 -5.726 254 HZ3 LYS 34 HZ3 LYS 34 6.869 -8.551 -6.342 255 H HIS 35 H HIS 35 0.964 -5.890 -7.348 256 HA HIS 35 HA HIS 35 -1.268 -5.394 -5.758 257 HB2 HIS 35 HB2 HIS 35 -0.738 -3.948 -7.614 258 HB3 HIS 35 HB3 HIS 35 -0.890 -5.272 -8.759 259 HD1 HIS 35 HD1 HIS 35 -3.250 -5.906 -9.553 260 HD2 HIS 35 HD2 HIS 35 -3.167 -2.811 -6.765 261 HE1 HIS 35 HE1 HIS 35 -5.545 -4.883 -9.603 262 HE2 HIS 35 HE2 HIS 35 -5.370 -2.852 -8.127 263 H ASP 36 H ASP 36 -0.924 -7.630 -8.487 264 HA ASP 36 HA ASP 36 -3.653 -8.435 -8.360 265 HB2 ASP 36 HB2 ASP 36 -1.316 -8.959 -10.066 266 HB3 ASP 36 HB3 ASP 36 -2.499 -10.256 -10.008 267 H GLN 37 H GLN 37 -0.612 -10.196 -7.723 268 HA GLN 37 HA GLN 37 -1.913 -12.634 -7.173 269 HB2 GLN 37 HB2 GLN 37 0.825 -11.595 -7.008 270 HB3 GLN 37 HB3 GLN 37 0.469 -12.892 -5.875 271 HG2 GLN 37 HG2 GLN 37 1.418 -13.633 -8.056 272 HG3 GLN 37 HG3 GLN 37 -0.117 -14.381 -7.623 273 HE21 GLN 37 HE21 GLN 37 1.501 -12.190 -9.785 274 HE22 GLN 37 HE22 GLN 37 0.207 -12.063 -10.934 275 H GLN 38 H GLN 38 -0.794 -10.067 -4.978 276 HA GLN 38 HA GLN 38 -1.355 -11.629 -2.644 277 HB2 GLN 38 HB2 GLN 38 -0.917 -8.652 -2.888 278 HB3 GLN 38 HB3 GLN 38 -0.934 -9.565 -1.386 279 HG2 GLN 38 HG2 GLN 38 1.002 -10.881 -2.261 280 HG3 GLN 38 HG3 GLN 38 1.071 -9.752 -3.616 281 HE21 GLN 38 HE21 GLN 38 1.613 -7.588 -3.212 282 HE22 GLN 38 HE22 GLN 38 2.469 -7.127 -1.784 283 H PHE 39 H PHE 39 -3.071 -9.124 -4.449 284 HA PHE 39 HA PHE 39 -5.162 -8.718 -2.604 285 HB2 PHE 39 HB2 PHE 39 -4.510 -7.436 -4.819 286 HB3 PHE 39 HB3 PHE 39 -5.659 -8.548 -5.555 287 HD1 PHE 39 HD1 PHE 39 -8.042 -8.478 -4.889 288 HD2 PHE 39 HD2 PHE 39 -5.207 -5.643 -3.468 289 HE1 PHE 39 HE1 PHE 39 -9.875 -6.981 -4.216 290 HE2 PHE 39 HE2 PHE 39 -7.034 -4.145 -2.793 291 HZ PHE 39 HZ PHE 39 -9.373 -4.811 -3.172 292 H HIS 40 H HIS 40 -4.757 -10.936 -5.314 293 HA HIS 40 HA HIS 40 -7.278 -12.161 -5.257 294 HB2 HIS 40 HB2 HIS 40 -5.727 -12.442 -7.121 295 HB3 HIS 40 HB3 HIS 40 -4.578 -13.267 -6.075 296 HD1 HIS 40 HD1 HIS 40 -4.537 -15.654 -6.662 297 HD2 HIS 40 HD2 HIS 40 -8.386 -14.085 -6.865 298 HE1 HIS 40 HE1 HIS 40 -6.028 -17.577 -7.292 299 HE2 HIS 40 HE2 HIS 40 -8.366 -16.650 -7.207 300 H SER 41 H SER 41 -4.422 -12.623 -3.319 301 HA SER 41 HA SER 41 -5.261 -15.088 -2.155 302 HB2 SER 41 HB2 SER 41 -3.144 -13.137 -1.218 303 HB3 SER 41 HB3 SER 41 -3.298 -14.825 -0.741 304 HG SER 41 HG SER 41 -2.616 -13.775 -3.289 305 H LEU 42 H LEU 42 -5.884 -11.749 -1.513 306 HA LEU 42 HA LEU 42 -6.548 -12.109 1.266 307 HB2 LEU 42 HB2 LEU 42 -7.118 -9.825 -0.625 308 HB3 LEU 42 HB3 LEU 42 -7.408 -9.794 1.104 309 HG LEU 42 HG LEU 42 -4.702 -10.069 -0.210 310 HD11 LEU 42 HD11 LEU 42 -5.636 -7.853 -0.523 311 HD12 LEU 42 HD12 LEU 42 -4.326 -7.804 0.656 312 HD13 LEU 42 HD13 LEU 42 -6.002 -7.744 1.199 313 HD21 LEU 42 HD21 LEU 42 -4.822 -11.219 1.946 314 HD22 LEU 42 HD22 LEU 42 -5.462 -9.756 2.696 315 HD23 LEU 42 HD23 LEU 42 -3.819 -9.771 2.053 316 H LYS 43 H LYS 43 -8.039 -12.860 -1.607 317 HA LYS 43 HA LYS 43 -10.102 -13.563 -2.218 318 HB2 LYS 43 HB2 LYS 43 -10.765 -13.426 0.731 319 HB3 LYS 43 HB3 LYS 43 -11.712 -14.244 -0.503 320 HG2 LYS 43 HG2 LYS 43 -10.008 -15.868 -0.844 321 HG3 LYS 43 HG3 LYS 43 -8.871 -14.966 0.156 322 HD2 LYS 43 HD2 LYS 43 -11.459 -16.070 1.222 323 HD3 LYS 43 HD3 LYS 43 -9.954 -16.991 1.223 324 HE2 LYS 43 HE2 LYS 43 -10.144 -16.003 3.371 325 HE3 LYS 43 HE3 LYS 43 -8.916 -15.088 2.503 326 HZ1 LYS 43 HZ1 LYS 43 -11.755 -14.257 2.837 327 HZ2 LYS 43 HZ2 LYS 43 -10.534 -13.359 2.077 328 HZ3 LYS 43 HZ3 LYS 43 -10.450 -13.657 3.740 329 HA PRO 44 HA PRO 44 -11.404 -9.084 -2.096 330 HB2 PRO 44 HB2 PRO 44 -11.886 -9.076 -4.816 331 HB3 PRO 44 HB3 PRO 44 -10.371 -8.571 -4.066 332 HG2 PRO 44 HG2 PRO 44 -11.076 -11.177 -5.345 333 HG3 PRO 44 HG3 PRO 44 -9.561 -10.261 -5.415 334 HD2 PRO 44 HD2 PRO 44 -9.832 -12.424 -3.838 335 HD3 PRO 44 HD3 PRO 44 -8.851 -11.028 -3.348 336 H ILE 45 H ILE 45 -13.511 -8.442 -1.976 337 HA ILE 45 HA ILE 45 -15.508 -10.485 -2.039 338 HB ILE 45 HB ILE 45 -15.888 -7.506 -1.689 339 HG12 ILE 45 HG12 ILE 45 -15.546 -9.687 0.385 340 HG13 ILE 45 HG13 ILE 45 -14.347 -8.461 -0.016 341 HG21 ILE 45 HG21 ILE 45 -17.680 -9.835 -1.002 342 HG22 ILE 45 HG22 ILE 45 -17.954 -8.641 -2.270 343 HG23 ILE 45 HG23 ILE 45 -17.988 -8.150 -0.578 344 HD11 ILE 45 HD11 ILE 45 -17.070 -7.927 1.154 345 HD12 ILE 45 HD12 ILE 45 -15.827 -6.723 0.807 346 HD13 ILE 45 HD13 ILE 45 -15.548 -7.948 2.048 347 H SER 46 H SER 46 -15.747 -7.288 -3.547 348 HA SER 46 HA SER 46 -16.938 -8.571 -5.912 349 HB2 SER 46 HB2 SER 46 -17.924 -6.164 -6.162 350 HB3 SER 46 HB3 SER 46 -18.621 -7.260 -4.965 351 HG SER 46 HG SER 46 -18.253 -5.341 -3.932 352 H GLY 47 H GLY 47 -14.110 -8.196 -5.509 353 HA2 GLY 47 HA2 GLY 47 -12.540 -7.751 -7.252 354 HA3 GLY 47 HA3 GLY 47 -13.565 -6.427 -7.790 355 H PHE 48 H PHE 48 -13.717 -5.960 -4.660 356 HA PHE 48 HA PHE 48 -11.060 -4.807 -4.293 357 HB2 PHE 48 HB2 PHE 48 -11.970 -2.678 -3.504 358 HB3 PHE 48 HB3 PHE 48 -12.427 -2.971 -5.175 359 HD1 PHE 48 HD1 PHE 48 -14.735 -3.384 -5.778 360 HD2 PHE 48 HD2 PHE 48 -13.615 -2.663 -1.735 361 HE1 PHE 48 HE1 PHE 48 -17.088 -2.952 -5.206 362 HE2 PHE 48 HE2 PHE 48 -15.966 -2.241 -1.156 363 HZ PHE 48 HZ PHE 48 -17.705 -2.380 -2.888 364 H ILE 49 H ILE 49 -10.775 -4.040 -2.021 365 HA ILE 49 HA ILE 49 -12.323 -5.692 -0.139 366 HB ILE 49 HB ILE 49 -10.283 -5.651 1.320 367 HG12 ILE 49 HG12 ILE 49 -8.879 -4.699 -1.187 368 HG13 ILE 49 HG13 ILE 49 -9.236 -3.674 0.194 369 HG21 ILE 49 HG21 ILE 49 -9.932 -6.947 -1.381 370 HG22 ILE 49 HG22 ILE 49 -10.846 -7.607 -0.026 371 HG23 ILE 49 HG23 ILE 49 -9.099 -7.409 0.103 372 HD11 ILE 49 HD11 ILE 49 -7.468 -6.110 0.220 373 HD12 ILE 49 HD12 ILE 49 -7.809 -5.067 1.599 374 HD13 ILE 49 HD13 ILE 49 -6.924 -4.433 0.211 375 H THR 50 H THR 50 -11.565 -4.586 2.219 376 HA THR 50 HA THR 50 -12.085 -1.710 1.926 377 HB THR 50 HB THR 50 -13.361 -3.237 4.176 378 HG1 THR 50 HG1 THR 50 -14.227 -3.103 1.473 379 HG21 THR 50 HG21 THR 50 -13.415 -0.783 4.215 380 HG22 THR 50 HG22 THR 50 -15.035 -1.449 4.005 381 HG23 THR 50 HG23 THR 50 -14.175 -0.772 2.623 382 H GLY 51 H GLY 51 -12.006 -0.921 4.540 383 HA2 GLY 51 HA2 GLY 51 -9.298 -0.601 4.979 384 HA3 GLY 51 HA3 GLY 51 -10.538 -0.317 6.184 385 H ASP 52 H ASP 52 -11.406 -3.083 6.350 386 HA ASP 52 HA ASP 52 -9.620 -3.918 8.374 387 HB2 ASP 52 HB2 ASP 52 -12.050 -4.470 8.295 388 HB3 ASP 52 HB3 ASP 52 -11.715 -5.589 6.980 389 H GLN 53 H GLN 53 -10.167 -5.102 5.073 390 HA GLN 53 HA GLN 53 -8.150 -7.119 5.280 391 HB2 GLN 53 HB2 GLN 53 -9.688 -5.991 2.952 392 HB3 GLN 53 HB3 GLN 53 -8.422 -7.191 2.738 393 HG2 GLN 53 HG2 GLN 53 -10.872 -7.571 4.447 394 HG3 GLN 53 HG3 GLN 53 -10.698 -8.144 2.791 395 HE21 GLN 53 HE21 GLN 53 -10.946 -10.290 3.371 396 HE22 GLN 53 HE22 GLN 53 -9.721 -11.173 4.217 397 H ALA 54 H ALA 54 -8.269 -3.791 4.251 398 HA ALA 54 HA ALA 54 -5.761 -3.614 3.003 399 HB1 ALA 54 HB1 ALA 54 -7.158 -1.515 4.666 400 HB2 ALA 54 HB2 ALA 54 -7.436 -1.814 2.948 401 HB3 ALA 54 HB3 ALA 54 -5.864 -1.233 3.502 402 H ARG 55 H ARG 55 -6.743 -3.333 6.374 403 HA ARG 55 HA ARG 55 -4.299 -2.722 7.549 404 HB2 ARG 55 HB2 ARG 55 -6.521 -2.758 8.690 405 HB3 ARG 55 HB3 ARG 55 -6.462 -4.513 8.678 406 HG2 ARG 55 HG2 ARG 55 -5.815 -3.740 10.842 407 HG3 ARG 55 HG3 ARG 55 -4.386 -4.397 10.035 408 HD2 ARG 55 HD2 ARG 55 -3.633 -2.178 9.472 409 HD3 ARG 55 HD3 ARG 55 -5.108 -1.472 10.128 410 HE ARG 55 HE ARG 55 -3.454 -3.016 11.971 411 HH11 ARG 55 HH11 ARG 55 -4.468 0.101 10.763 412 HH12 ARG 55 HH12 ARG 55 -3.819 0.995 12.107 413 HH21 ARG 55 HH21 ARG 55 -2.631 -1.866 13.782 414 HH22 ARG 55 HH22 ARG 55 -2.786 -0.130 13.844 415 H ASN 56 H ASN 56 -5.758 -5.889 6.939 416 HA ASN 56 HA ASN 56 -3.695 -7.481 7.953 417 HB2 ASN 56 HB2 ASN 56 -5.941 -8.340 7.432 418 HB3 ASN 56 HB3 ASN 56 -5.643 -8.093 5.715 419 HD21 ASN 56 HD21 ASN 56 -5.917 -10.213 5.175 420 HD22 ASN 56 HD22 ASN 56 -4.795 -11.452 5.611 421 H PHE 57 H PHE 57 -4.145 -6.031 4.779 422 HA PHE 57 HA PHE 57 -2.321 -7.499 3.294 423 HB2 PHE 57 HB2 PHE 57 -3.910 -5.890 2.320 424 HB3 PHE 57 HB3 PHE 57 -2.940 -4.568 2.968 425 HD1 PHE 57 HD2 PHE 57 -2.929 -7.387 0.586 426 HD2 PHE 57 HD1 PHE 57 -0.987 -3.839 1.892 427 HE1 PHE 57 HE2 PHE 57 -1.485 -7.448 -1.407 428 HE2 PHE 57 HE1 PHE 57 0.455 -3.901 -0.076 429 HZ PHE 57 HZ PHE 57 0.218 -5.697 -1.740 430 H PHE 58 H PHE 58 -1.672 -4.417 5.026 431 HA PHE 58 HA PHE 58 1.141 -4.795 4.430 432 HB2 PHE 58 HB2 PHE 58 1.374 -2.611 5.797 433 HB3 PHE 58 HB3 PHE 58 0.664 -2.554 4.194 434 HD1 PHE 58 HD2 PHE 58 -0.356 -2.859 7.774 435 HD2 PHE 58 HD1 PHE 58 -1.265 -1.377 3.891 436 HE1 PHE 58 HE2 PHE 58 -2.299 -1.659 8.689 437 HE2 PHE 58 HE1 PHE 58 -3.205 -0.171 4.798 438 HZ PHE 58 HZ PHE 58 -3.724 -0.310 7.200 439 H PHE 59 H PHE 59 -0.991 -5.474 7.026 440 HA PHE 59 HA PHE 59 0.880 -5.408 9.151 441 HB2 PHE 59 HB2 PHE 59 -1.534 -5.448 9.556 442 HB3 PHE 59 HB3 PHE 59 -1.640 -7.060 8.853 443 HD1 PHE 59 HD1 PHE 59 0.122 -5.219 11.579 444 HD2 PHE 59 HD2 PHE 59 -1.580 -8.886 10.243 445 HE1 PHE 59 HE1 PHE 59 0.537 -6.215 13.791 446 HE2 PHE 59 HE2 PHE 59 -1.164 -9.886 12.451 447 HZ PHE 59 HZ PHE 59 -0.104 -8.550 14.229 448 H GLN 60 H GLN 60 -0.012 -7.877 6.809 449 HA GLN 60 HA GLN 60 1.331 -10.027 8.087 450 HB2 GLN 60 HB2 GLN 60 0.995 -11.236 5.997 451 HB3 GLN 60 HB3 GLN 60 -0.467 -10.369 6.448 452 HG2 GLN 60 HG2 GLN 60 0.171 -8.575 4.864 453 HG3 GLN 60 HG3 GLN 60 1.536 -9.565 4.353 454 HE21 GLN 60 HE21 GLN 60 -0.730 -8.575 2.828 455 HE22 GLN 60 HE22 GLN 60 -1.508 -9.967 2.160 456 H SER 61 H SER 61 2.566 -7.331 6.526 457 HA SER 61 HA SER 61 4.848 -8.607 5.313 458 HB2 SER 61 HB2 SER 61 3.907 -6.518 4.381 459 HB3 SER 61 HB3 SER 61 4.344 -5.671 5.864 460 HG SER 61 HG SER 61 6.563 -6.667 5.242 461 H GLY 62 H GLY 62 4.010 -7.469 8.437 462 HA2 GLY 62 HA2 GLY 62 5.212 -7.937 10.387 463 HA3 GLY 62 HA3 GLY 62 6.623 -8.294 9.406 464 H LEU 63 H LEU 63 4.938 -5.323 8.847 465 HA LEU 63 HA LEU 63 7.196 -3.844 9.948 466 HB2 LEU 63 HB2 LEU 63 4.913 -3.138 8.134 467 HB3 LEU 63 HB3 LEU 63 5.807 -1.872 8.951 468 HG LEU 63 HG LEU 63 7.000 -3.895 7.043 469 HD11 LEU 63 HD11 LEU 63 7.254 -1.988 5.545 470 HD12 LEU 63 HD12 LEU 63 6.415 -0.957 6.704 471 HD13 LEU 63 HD13 LEU 63 5.556 -2.285 5.920 472 HD21 LEU 63 HD21 LEU 63 8.571 -3.183 8.777 473 HD22 LEU 63 HD22 LEU 63 8.227 -1.495 8.401 474 HD23 LEU 63 HD23 LEU 63 9.012 -2.525 7.202 475 HA PRO 64 HA PRO 64 5.278 -2.620 13.734 476 HB2 PRO 64 HB2 PRO 64 6.228 0.129 13.128 477 HB3 PRO 64 HB3 PRO 64 6.527 -0.882 14.545 478 HG2 PRO 64 HG2 PRO 64 8.435 -0.494 12.731 479 HG3 PRO 64 HG3 PRO 64 8.218 -2.078 13.503 480 HD2 PRO 64 HD2 PRO 64 7.404 -1.172 10.770 481 HD3 PRO 64 HD3 PRO 64 8.075 -2.733 11.288 482 H GLN 65 H GLN 65 3.494 -1.597 14.546 483 HA GLN 65 HA GLN 65 1.358 -1.163 12.852 484 HB2 GLN 65 HB2 GLN 65 1.743 -0.277 15.709 485 HB3 GLN 65 HB3 GLN 65 0.215 -0.156 14.855 486 HG2 GLN 65 HG2 GLN 65 0.167 -2.107 16.221 487 HG3 GLN 65 HG3 GLN 65 0.255 -2.617 14.537 488 HE21 GLN 65 HE21 GLN 65 1.045 -4.647 15.153 489 HE22 GLN 65 HE22 GLN 65 2.680 -4.862 15.678 490 HA PRO 66 HA PRO 66 1.871 3.688 13.524 491 HB2 PRO 66 HB2 PRO 66 4.826 3.789 13.798 492 HB3 PRO 66 HB3 PRO 66 3.586 4.769 14.590 493 HG2 PRO 66 HG2 PRO 66 4.880 2.866 15.931 494 HG3 PRO 66 HG3 PRO 66 3.152 3.160 16.197 495 HD2 PRO 66 HD2 PRO 66 4.489 0.977 14.652 496 HD3 PRO 66 HD3 PRO 66 3.050 0.908 15.691 497 H VAL 67 H VAL 67 4.479 1.777 12.102 498 HA VAL 67 HA VAL 67 4.949 3.458 9.869 499 HB VAL 67 HB VAL 67 5.487 0.500 10.226 500 HG11 VAL 67 HG11 VAL 67 6.570 2.414 8.159 501 HG12 VAL 67 HG12 VAL 67 5.441 1.092 7.862 502 HG13 VAL 67 HG13 VAL 67 7.089 0.744 8.388 503 HG21 VAL 67 HG21 VAL 67 7.255 2.915 10.599 504 HG22 VAL 67 HG22 VAL 67 7.797 1.240 10.676 505 HG23 VAL 67 HG23 VAL 67 6.648 1.850 11.867 506 H LEU 68 H LEU 68 2.923 0.616 10.402 507 HA LEU 68 HA LEU 68 1.899 0.350 7.802 508 HB2 LEU 68 HB2 LEU 68 0.584 -0.277 10.445 509 HB3 LEU 68 HB3 LEU 68 0.060 -0.873 8.883 510 HG LEU 68 HG LEU 68 2.651 -1.536 10.283 511 HD11 LEU 68 HD11 LEU 68 0.728 -2.658 11.245 512 HD12 LEU 68 HD12 LEU 68 1.728 -3.804 10.353 513 HD13 LEU 68 HD13 LEU 68 0.226 -3.210 9.646 514 HD21 LEU 68 HD21 LEU 68 2.972 -1.390 7.866 515 HD22 LEU 68 HD22 LEU 68 1.615 -2.488 7.616 516 HD23 LEU 68 HD23 LEU 68 3.073 -3.059 8.428 517 H ALA 69 H ALA 69 0.662 2.059 10.634 518 HA ALA 69 HA ALA 69 -1.676 3.107 9.530 519 HB1 ALA 69 HB1 ALA 69 0.073 4.349 11.650 520 HB2 ALA 69 HB2 ALA 69 -1.166 3.125 11.929 521 HB3 ALA 69 HB3 ALA 69 -1.623 4.727 11.344 522 H GLN 70 H GLN 70 1.644 4.279 9.393 523 HA GLN 70 HA GLN 70 1.082 6.798 8.254 524 HB2 GLN 70 HB2 GLN 70 3.413 5.159 8.829 525 HB3 GLN 70 HB3 GLN 70 3.589 6.066 7.340 526 HG2 GLN 70 HG2 GLN 70 2.829 7.278 9.982 527 HG3 GLN 70 HG3 GLN 70 4.471 7.218 9.349 528 HE21 GLN 70 HE21 GLN 70 3.568 7.660 6.602 529 HE22 GLN 70 HE22 GLN 70 3.189 9.339 6.498 530 H ILE 71 H ILE 71 1.794 3.633 6.851 531 HA ILE 71 HA ILE 71 1.918 4.432 4.153 532 HB ILE 71 HB ILE 71 1.278 1.793 5.459 533 HG12 ILE 71 HG12 ILE 71 3.583 2.512 3.659 534 HG13 ILE 71 HG13 ILE 71 3.627 2.837 5.383 535 HG21 ILE 71 HG21 ILE 71 1.374 0.736 3.248 536 HG22 ILE 71 HG22 ILE 71 1.465 2.329 2.497 537 HG23 ILE 71 HG23 ILE 71 0.014 1.853 3.379 538 HD11 ILE 71 HD11 ILE 71 3.316 0.445 5.825 539 HD12 ILE 71 HD12 ILE 71 4.761 0.764 4.866 540 HD13 ILE 71 HD13 ILE 71 3.306 0.141 4.087 541 H TRP 72 H TRP 72 -0.800 3.313 6.134 542 HA TRP 72 HA TRP 72 -2.690 3.386 4.027 543 HB2 TRP 72 HB2 TRP 72 -3.076 2.089 6.065 544 HB3 TRP 72 HB3 TRP 72 -3.120 3.570 7.015 545 HD1 TRP 72 HD1 TRP 72 -4.973 3.289 3.658 546 HE1 TRP 72 HE1 TRP 72 -7.499 3.447 4.109 547 HE3 TRP 72 HE3 TRP 72 -4.882 3.196 8.752 548 HZ2 TRP 72 HZ2 TRP 72 -9.227 3.486 6.330 549 HZ3 TRP 72 HZ3 TRP 72 -7.017 3.272 9.973 550 HH2 TRP 72 HH2 TRP 72 -9.146 3.419 8.781 551 H ALA 73 H ALA 73 -1.883 5.708 6.597 552 HA ALA 73 HA ALA 73 -3.855 7.594 5.933 553 HB1 ALA 73 HB1 ALA 73 -2.570 9.172 7.284 554 HB2 ALA 73 HB2 ALA 73 -1.195 8.067 7.278 555 HB3 ALA 73 HB3 ALA 73 -2.694 7.606 8.082 556 H LEU 74 H LEU 74 -0.684 6.969 4.648 557 HA LEU 74 HA LEU 74 -0.467 9.357 3.093 558 HB2 LEU 74 HB2 LEU 74 1.154 7.136 3.745 559 HB3 LEU 74 HB3 LEU 74 1.022 7.165 1.998 560 HG LEU 74 HG LEU 74 2.059 9.389 3.758 561 HD11 LEU 74 HD11 LEU 74 4.159 8.971 2.563 562 HD12 LEU 74 HD12 LEU 74 3.402 7.619 1.722 563 HD13 LEU 74 HD13 LEU 74 3.621 7.558 3.470 564 HD21 LEU 74 HD21 LEU 74 1.714 9.297 0.765 565 HD22 LEU 74 HD22 LEU 74 2.535 10.568 1.671 566 HD23 LEU 74 HD23 LEU 74 0.805 10.308 1.889 567 H ALA 75 H ALA 75 -1.844 6.184 2.639 568 HA ALA 75 HA ALA 75 -1.765 6.061 -0.170 569 HB1 ALA 75 HB1 ALA 75 -3.712 4.712 1.694 570 HB2 ALA 75 HB2 ALA 75 -2.115 4.100 1.255 571 HB3 ALA 75 HB3 ALA 75 -3.370 4.252 0.026 572 H ASP 76 H ASP 76 -4.705 6.601 1.828 573 HA ASP 76 HA ASP 76 -5.884 7.839 -0.497 574 HB2 ASP 76 HB2 ASP 76 -7.877 8.124 1.103 575 HB3 ASP 76 HB3 ASP 76 -7.498 6.525 0.507 576 H MET 77 H MET 77 -5.001 9.669 -0.870 577 HA MET 77 HA MET 77 -3.976 11.615 0.724 578 HB2 MET 77 HB2 MET 77 -5.480 11.837 -1.873 579 HB3 MET 77 HB3 MET 77 -4.727 13.232 -1.112 580 HG2 MET 77 HG2 MET 77 -2.563 12.282 -1.321 581 HG3 MET 77 HG3 MET 77 -3.227 10.722 -1.802 582 HE1 MET 77 HE1 MET 77 -4.400 11.266 -5.424 583 HE2 MET 77 HE2 MET 77 -5.372 11.246 -3.953 584 HE3 MET 77 HE3 MET 77 -4.041 10.105 -4.145 585 H ASN 78 H ASN 78 -7.378 10.984 0.221 586 HA ASN 78 HA ASN 78 -8.173 13.459 1.540 587 HB2 ASN 78 HB2 ASN 78 -9.456 12.577 -0.416 588 HB3 ASN 78 HB3 ASN 78 -9.893 11.172 0.542 589 HD21 ASN 78 HD21 ASN 78 -11.512 11.319 2.012 590 HD22 ASN 78 HD22 ASN 78 -12.471 12.737 2.262 591 H ASN 79 H ASN 79 -7.146 10.472 2.505 592 HA ASN 79 HA ASN 79 -7.528 8.993 4.170 593 HB2 ASN 79 HB2 ASN 79 -7.030 11.103 5.520 594 HB3 ASN 79 HB3 ASN 79 -8.767 11.286 5.710 595 HD21 ASN 79 HD21 ASN 79 -9.330 8.461 6.002 596 HD22 ASN 79 HD22 ASN 79 -8.723 7.987 7.551 597 H ASP 80 H ASP 80 -9.005 7.990 2.766 598 HA ASP 80 HA ASP 80 -11.797 8.722 2.878 599 HB2 ASP 80 HB2 ASP 80 -10.740 8.123 0.734 600 HB3 ASP 80 HB3 ASP 80 -10.355 6.528 1.369 601 H GLY 81 H GLY 81 -9.639 6.109 3.832 602 HA2 GLY 81 HA2 GLY 81 -9.893 4.845 5.794 603 HA3 GLY 81 HA3 GLY 81 -11.569 5.358 5.893 604 H ARG 82 H ARG 82 -11.246 4.497 2.797 605 HA ARG 82 HA ARG 82 -12.130 1.747 3.385 606 HB2 ARG 82 HB2 ARG 82 -12.954 3.690 1.270 607 HB3 ARG 82 HB3 ARG 82 -13.078 1.968 0.944 608 HG2 ARG 82 HG2 ARG 82 -15.195 2.663 1.707 609 HG3 ARG 82 HG3 ARG 82 -14.451 1.780 3.038 610 HD2 ARG 82 HD2 ARG 82 -15.550 3.768 3.869 611 HD3 ARG 82 HD3 ARG 82 -13.805 3.914 4.068 612 HE ARG 82 HE ARG 82 -13.957 5.258 1.888 613 HH11 ARG 82 HH11 ARG 82 -16.491 5.146 4.308 614 HH12 ARG 82 HH12 ARG 82 -17.032 6.770 4.005 615 HH21 ARG 82 HH21 ARG 82 -14.683 7.391 1.466 616 HH22 ARG 82 HH22 ARG 82 -16.049 8.029 2.350 617 H MET 83 H MET 83 -10.174 3.682 1.245 618 HA MET 83 HA MET 83 -8.476 3.230 -0.169 619 HB2 MET 83 HB2 MET 83 -7.351 2.218 1.712 620 HB3 MET 83 HB3 MET 83 -8.241 0.718 1.494 621 HG2 MET 83 HG2 MET 83 -7.153 0.394 -0.672 622 HG3 MET 83 HG3 MET 83 -6.251 1.887 -0.437 623 HE1 MET 83 HE1 MET 83 -5.393 1.830 2.586 624 HE2 MET 83 HE2 MET 83 -4.299 2.202 1.254 625 HE3 MET 83 HE3 MET 83 -3.836 1.012 2.471 626 H ASP 84 H ASP 84 -9.631 3.135 -2.039 627 HA ASP 84 HA ASP 84 -10.603 0.579 -3.040 628 HB2 ASP 84 HB2 ASP 84 -11.861 2.561 -3.650 629 HB3 ASP 84 HB3 ASP 84 -10.415 3.354 -4.255 630 H GLN 85 H GLN 85 -9.791 0.209 -5.493 631 HA GLN 85 HA GLN 85 -7.249 -0.850 -5.365 632 HB2 GLN 85 HB2 GLN 85 -8.695 0.123 -7.832 633 HB3 GLN 85 HB3 GLN 85 -7.337 -0.991 -7.818 634 HG2 GLN 85 HG2 GLN 85 -10.101 -1.453 -6.736 635 HG3 GLN 85 HG3 GLN 85 -9.324 -2.259 -8.101 636 HE21 GLN 85 HE21 GLN 85 -9.545 -2.028 -4.651 637 HE22 GLN 85 HE22 GLN 85 -8.641 -3.456 -4.291 638 H VAL 86 H VAL 86 -8.153 2.423 -6.341 639 HA VAL 86 HA VAL 86 -5.641 3.116 -7.448 640 HB VAL 86 HB VAL 86 -7.692 4.941 -6.167 641 HG11 VAL 86 HG11 VAL 86 -6.663 6.702 -7.532 642 HG12 VAL 86 HG12 VAL 86 -5.430 5.557 -8.068 643 HG13 VAL 86 HG13 VAL 86 -5.525 6.023 -6.369 644 HG21 VAL 86 HG21 VAL 86 -7.328 4.154 -9.058 645 HG22 VAL 86 HG22 VAL 86 -8.514 5.301 -8.433 646 HG23 VAL 86 HG23 VAL 86 -8.619 3.596 -7.995 647 H GLU 87 H GLU 87 -7.032 3.946 -4.251 648 HA GLU 87 HA GLU 87 -4.651 4.979 -3.172 649 HB2 GLU 87 HB2 GLU 87 -6.848 3.624 -1.596 650 HB3 GLU 87 HB3 GLU 87 -5.699 4.812 -1.003 651 HG2 GLU 87 HG2 GLU 87 -7.534 6.125 -1.270 652 HG3 GLU 87 HG3 GLU 87 -6.791 6.316 -2.857 653 H PHE 88 H PHE 88 -5.908 1.728 -3.378 654 HA PHE 88 HA PHE 88 -4.077 0.465 -1.647 655 HB2 PHE 88 HB2 PHE 88 -6.131 -0.622 -2.444 656 HB3 PHE 88 HB3 PHE 88 -5.496 -0.635 -4.086 657 HD1 PHE 88 HD1 PHE 88 -5.164 -2.072 -0.724 658 HD2 PHE 88 HD2 PHE 88 -3.905 -2.275 -4.785 659 HE1 PHE 88 HE1 PHE 88 -4.137 -4.263 -0.292 660 HE2 PHE 88 HE2 PHE 88 -2.874 -4.470 -4.361 661 HZ PHE 88 HZ PHE 88 -2.993 -5.464 -2.110 662 H SER 89 H SER 89 -4.009 1.118 -5.114 663 HA SER 89 HA SER 89 -1.669 -0.349 -5.643 664 HB2 SER 89 HB2 SER 89 -2.937 1.912 -7.196 665 HB3 SER 89 HB3 SER 89 -1.631 0.890 -7.798 666 HG SER 89 HG SER 89 -4.309 0.222 -7.232 667 H ILE 90 H ILE 90 -2.177 2.844 -4.410 668 HA ILE 90 HA ILE 90 0.551 3.644 -5.035 669 HB ILE 90 HB ILE 90 -1.475 5.164 -5.314 670 HG12 ILE 90 HG12 ILE 90 0.644 6.381 -3.563 671 HG13 ILE 90 HG13 ILE 90 1.005 5.831 -5.198 672 HG21 ILE 90 HG21 ILE 90 -1.193 5.374 -2.322 673 HG22 ILE 90 HG22 ILE 90 -2.577 4.719 -3.200 674 HG23 ILE 90 HG23 ILE 90 -2.175 6.432 -3.336 675 HD11 ILE 90 HD11 ILE 90 -1.017 7.922 -4.428 676 HD12 ILE 90 HD12 ILE 90 -0.700 7.360 -6.068 677 HD13 ILE 90 HD13 ILE 90 0.557 8.205 -5.167 678 H ALA 91 H ALA 91 -0.997 2.000 -2.596 679 HA ALA 91 HA ALA 91 0.917 2.915 -0.554 680 HB1 ALA 91 HB1 ALA 91 -0.563 1.847 1.085 681 HB2 ALA 91 HB2 ALA 91 -1.640 1.351 -0.222 682 HB3 ALA 91 HB3 ALA 91 -1.411 3.064 0.131 683 H MET 92 H MET 92 -0.090 0.204 -2.461 684 HA MET 92 HA MET 92 0.769 -1.917 -0.895 685 HB2 MET 92 HB2 MET 92 0.811 -3.235 -2.965 686 HB3 MET 92 HB3 MET 92 -0.632 -2.240 -2.848 687 HG2 MET 92 HG2 MET 92 0.427 -0.596 -4.351 688 HG3 MET 92 HG3 MET 92 1.802 -1.684 -4.523 689 HE1 MET 92 HE1 MET 92 0.016 -1.965 -7.998 690 HE2 MET 92 HE2 MET 92 1.553 -1.697 -7.178 691 HE3 MET 92 HE3 MET 92 0.240 -0.536 -6.990 692 H LYS 93 H LYS 93 2.710 0.118 -3.060 693 HA LYS 93 HA LYS 93 4.986 -1.645 -2.547 694 HB2 LYS 93 HB2 LYS 93 6.152 -0.482 -4.324 695 HB3 LYS 93 HB3 LYS 93 4.584 -1.033 -4.884 696 HG2 LYS 93 HG2 LYS 93 4.544 1.033 -5.767 697 HG3 LYS 93 HG3 LYS 93 3.906 1.435 -4.173 698 HD2 LYS 93 HD2 LYS 93 5.597 2.850 -3.870 699 HD3 LYS 93 HD3 LYS 93 6.728 1.501 -3.989 700 HE2 LYS 93 HE2 LYS 93 5.622 2.900 -6.410 701 HE3 LYS 93 HE3 LYS 93 7.082 3.444 -5.591 702 HZ1 LYS 93 HZ1 LYS 93 6.858 0.631 -6.468 703 HZ2 LYS 93 HZ2 LYS 93 8.245 1.581 -6.232 704 HZ3 LYS 93 HZ3 LYS 93 7.263 1.840 -7.584 705 H LEU 94 H LEU 94 3.622 1.083 -1.202 706 HA LEU 94 HA LEU 94 5.903 2.576 -0.480 707 HB2 LEU 94 HB2 LEU 94 3.438 3.211 -0.225 708 HB3 LEU 94 HB3 LEU 94 3.426 2.197 1.195 709 HG LEU 94 HG LEU 94 5.167 3.591 2.197 710 HD11 LEU 94 HD11 LEU 94 5.770 5.722 1.206 711 HD12 LEU 94 HD12 LEU 94 4.772 5.367 -0.204 712 HD13 LEU 94 HD13 LEU 94 6.208 4.395 0.130 713 HD21 LEU 94 HD21 LEU 94 2.814 4.030 2.665 714 HD22 LEU 94 HD22 LEU 94 2.739 5.118 1.278 715 HD23 LEU 94 HD23 LEU 94 3.752 5.523 2.663 716 H ILE 95 H ILE 95 4.256 -0.180 0.817 717 HA ILE 95 HA ILE 95 5.511 -0.607 3.245 718 HB ILE 95 HB ILE 95 4.763 -2.769 1.271 719 HG12 ILE 95 HG12 ILE 95 2.975 -1.392 3.285 720 HG13 ILE 95 HG13 ILE 95 2.965 -1.060 1.557 721 HG21 ILE 95 HG21 ILE 95 5.961 -3.581 3.221 722 HG22 ILE 95 HG22 ILE 95 4.271 -4.081 3.287 723 HG23 ILE 95 HG23 ILE 95 4.832 -2.740 4.286 724 HD11 ILE 95 HD11 ILE 95 2.323 -3.706 2.835 725 HD12 ILE 95 HD12 ILE 95 2.277 -3.346 1.110 726 HD13 ILE 95 HD13 ILE 95 1.153 -2.544 2.209 727 H LYS 96 H LYS 96 6.528 -1.539 -0.006 728 HA LYS 96 HA LYS 96 8.789 -3.047 0.683 729 HB2 LYS 96 HB2 LYS 96 7.707 -3.069 -1.532 730 HB3 LYS 96 HB3 LYS 96 8.256 -1.425 -1.814 731 HG2 LYS 96 HG2 LYS 96 10.560 -2.164 -1.797 732 HG3 LYS 96 HG3 LYS 96 10.051 -3.814 -1.427 733 HD2 LYS 96 HD2 LYS 96 8.818 -3.899 -3.542 734 HD3 LYS 96 HD3 LYS 96 9.330 -2.254 -3.910 735 HE2 LYS 96 HE2 LYS 96 11.670 -2.988 -3.902 736 HE3 LYS 96 HE3 LYS 96 11.148 -4.634 -3.549 737 HZ1 LYS 96 HZ1 LYS 96 10.299 -3.132 -5.969 738 HZ2 LYS 96 HZ2 LYS 96 10.088 -4.789 -5.652 739 HZ3 LYS 96 HZ3 LYS 96 11.640 -4.172 -5.934 740 H LEU 97 H LEU 97 8.430 0.400 -0.089 741 HA LEU 97 HA LEU 97 11.191 1.021 0.195 742 HB2 LEU 97 HB2 LEU 97 8.681 2.639 0.069 743 HB3 LEU 97 HB3 LEU 97 10.176 3.409 0.564 744 HG LEU 97 HG LEU 97 9.825 3.792 -1.790 745 HD11 LEU 97 HD11 LEU 97 12.119 3.477 -1.030 746 HD12 LEU 97 HD12 LEU 97 11.907 2.909 -2.685 747 HD13 LEU 97 HD13 LEU 97 11.996 1.750 -1.361 748 HD21 LEU 97 HD21 LEU 97 9.717 0.791 -2.065 749 HD22 LEU 97 HD22 LEU 97 9.766 1.939 -3.402 750 HD23 LEU 97 HD23 LEU 97 8.380 1.917 -2.310 751 H LYS 98 H LYS 98 8.551 0.739 2.444 752 HA LYS 98 HA LYS 98 9.919 2.037 4.609 753 HB2 LYS 98 HB2 LYS 98 7.515 0.207 4.544 754 HB3 LYS 98 HB3 LYS 98 8.130 0.953 6.013 755 HG2 LYS 98 HG2 LYS 98 7.571 2.750 3.728 756 HG3 LYS 98 HG3 LYS 98 6.185 2.029 4.545 757 HD2 LYS 98 HD2 LYS 98 6.821 4.254 5.447 758 HD3 LYS 98 HD3 LYS 98 6.866 2.970 6.652 759 HE2 LYS 98 HE2 LYS 98 8.780 4.449 6.888 760 HE3 LYS 98 HE3 LYS 98 9.294 2.832 6.415 761 HZ1 LYS 98 HZ1 LYS 98 10.490 4.517 5.190 762 HZ2 LYS 98 HZ2 LYS 98 9.043 5.178 4.609 763 HZ3 LYS 98 HZ3 LYS 98 9.510 3.623 4.136 764 H LEU 99 H LEU 99 9.607 -1.257 3.432 765 HA LEU 99 HA LEU 99 11.058 -2.485 5.542 766 HB2 LEU 99 HB2 LEU 99 10.466 -3.285 2.707 767 HB3 LEU 99 HB3 LEU 99 11.465 -4.281 3.746 768 HG LEU 99 HG LEU 99 8.621 -3.497 4.374 769 HD11 LEU 99 HD11 LEU 99 8.719 -4.905 2.381 770 HD12 LEU 99 HD12 LEU 99 8.040 -5.781 3.754 771 HD13 LEU 99 HD13 LEU 99 9.706 -6.078 3.254 772 HD21 LEU 99 HD21 LEU 99 10.442 -5.562 5.611 773 HD22 LEU 99 HD22 LEU 99 8.770 -5.239 6.065 774 HD23 LEU 99 HD23 LEU 99 10.008 -4.012 6.333 775 H GLN 100 H GLN 100 11.985 -0.792 2.634 776 HA GLN 100 HA GLN 100 14.738 -1.601 2.705 777 HB2 GLN 100 HB2 GLN 100 13.250 0.530 1.185 778 HB3 GLN 100 HB3 GLN 100 14.991 0.323 1.055 779 HG2 GLN 100 HG2 GLN 100 14.708 -1.910 0.207 780 HG3 GLN 100 HG3 GLN 100 12.966 -1.815 0.460 781 HE21 GLN 100 HE21 GLN 100 12.617 -2.259 -1.730 782 HE22 GLN 100 HE22 GLN 100 12.848 -1.050 -2.953 783 H GLY 101 H GLY 101 12.919 0.591 4.502 784 HA2 GLY 101 HA2 GLY 101 13.619 1.885 6.284 785 HA3 GLY 101 HA3 GLY 101 15.282 1.518 5.853 786 H TYR 102 H TYR 102 12.842 2.982 3.755 787 HA TYR 102 HA TYR 102 14.504 5.381 3.583 788 HB2 TYR 102 HB2 TYR 102 12.351 4.214 1.856 789 HB3 TYR 102 HB3 TYR 102 12.697 5.938 1.755 790 HD1 TYR 102 HD2 TYR 102 14.026 2.560 1.139 791 HD2 TYR 102 HD1 TYR 102 14.755 6.740 0.821 792 HE1 TYR 102 HE2 TYR 102 15.925 2.111 -0.361 793 HE2 TYR 102 HE1 TYR 102 16.649 6.306 -0.680 794 HH TYR 102 HH TYR 102 18.205 4.504 -1.199 795 H GLN 103 H GLN 103 12.950 7.433 3.166 796 HA GLN 103 HA GLN 103 12.041 8.056 5.747 797 HB2 GLN 103 HB2 GLN 103 11.539 9.460 3.124 798 HB3 GLN 103 HB3 GLN 103 11.133 10.130 4.698 799 HG2 GLN 103 HG2 GLN 103 13.496 10.065 5.328 800 HG3 GLN 103 HG3 GLN 103 13.894 9.412 3.739 801 HE21 GLN 103 HE21 GLN 103 11.920 11.067 2.370 802 HE22 GLN 103 HE22 GLN 103 12.564 12.677 2.346 803 H LEU 104 H LEU 104 9.934 8.759 6.412 804 HA LEU 104 HA LEU 104 7.749 7.354 5.047 805 HB2 LEU 104 HB2 LEU 104 6.655 7.739 7.467 806 HB3 LEU 104 HB3 LEU 104 7.516 6.290 7.016 807 HG LEU 104 HG LEU 104 8.032 7.151 9.298 808 HD11 LEU 104 HD11 LEU 104 10.371 7.040 7.410 809 HD12 LEU 104 HD12 LEU 104 9.583 5.665 8.184 810 HD13 LEU 104 HD13 LEU 104 10.447 6.852 9.162 811 HD21 LEU 104 HD21 LEU 104 9.539 9.067 9.536 812 HD22 LEU 104 HD22 LEU 104 7.966 9.531 8.889 813 HD23 LEU 104 HD23 LEU 104 9.359 9.410 7.815 814 HA PRO 105 HA PRO 105 6.969 11.797 4.491 815 HB2 PRO 105 HB2 PRO 105 5.659 11.017 2.016 816 HB3 PRO 105 HB3 PRO 105 7.116 11.985 2.242 817 HG2 PRO 105 HG2 PRO 105 7.151 9.490 1.168 818 HG3 PRO 105 HG3 PRO 105 8.505 10.170 2.088 819 HD2 PRO 105 HD2 PRO 105 6.385 8.250 2.982 820 HD3 PRO 105 HD3 PRO 105 8.129 8.239 3.321 821 H SER 106 H SER 106 4.942 12.996 3.838 822 HA SER 106 HA SER 106 2.517 11.488 4.580 823 HB2 SER 106 HB2 SER 106 1.726 13.849 5.343 824 HB3 SER 106 HB3 SER 106 2.810 12.919 6.367 825 HG SER 106 HG SER 106 3.620 14.945 4.541 826 H ALA 107 H ALA 107 4.109 12.939 2.164 827 HA ALA 107 HA ALA 107 1.622 13.463 0.671 828 HB1 ALA 107 HB1 ALA 107 2.845 15.032 -0.733 829 HB2 ALA 107 HB2 ALA 107 4.317 14.737 0.192 830 HB3 ALA 107 HB3 ALA 107 2.933 15.515 0.961 831 H LEU 108 H LEU 108 1.426 12.574 -1.357 832 HA LEU 108 HA LEU 108 3.115 10.257 -1.828 833 HB2 LEU 108 HB2 LEU 108 0.575 11.248 -3.121 834 HB3 LEU 108 HB3 LEU 108 1.423 9.806 -3.645 835 HG LEU 108 HG LEU 108 0.353 10.174 -0.849 836 HD11 LEU 108 HD11 LEU 108 -0.880 8.726 -3.186 837 HD12 LEU 108 HD12 LEU 108 -1.488 10.206 -2.446 838 HD13 LEU 108 HD13 LEU 108 -1.472 8.702 -1.526 839 HD21 LEU 108 HD21 LEU 108 2.185 8.571 -1.071 840 HD22 LEU 108 HD22 LEU 108 1.308 7.742 -2.357 841 HD23 LEU 108 HD23 LEU 108 0.662 7.755 -0.716 842 HA PRO 109 HA PRO 109 5.482 12.127 -5.085 843 HB2 PRO 109 HB2 PRO 109 5.759 9.501 -6.341 844 HB3 PRO 109 HB3 PRO 109 6.984 10.484 -5.534 845 HG2 PRO 109 HG2 PRO 109 6.047 8.173 -4.484 846 HG3 PRO 109 HG3 PRO 109 6.591 9.531 -3.483 847 HD2 PRO 109 HD2 PRO 109 3.801 8.707 -4.204 848 HD3 PRO 109 HD3 PRO 109 4.442 9.273 -2.646 849 HA PRO 110 HA PRO 110 2.675 12.682 -8.427 850 HB2 PRO 110 HB2 PRO 110 4.870 13.510 -10.154 851 HB3 PRO 110 HB3 PRO 110 3.598 14.488 -9.425 852 HG2 PRO 110 HG2 PRO 110 6.190 14.658 -8.660 853 HG3 PRO 110 HG3 PRO 110 4.838 14.952 -7.551 854 HD2 PRO 110 HD2 PRO 110 6.539 12.503 -7.862 855 HD3 PRO 110 HD3 PRO 110 5.947 13.285 -6.378 856 H VAL 111 H VAL 111 5.228 10.485 -8.628 857 HA VAL 111 HA VAL 111 4.862 9.761 -11.398 858 HB VAL 111 HB VAL 111 6.455 8.245 -9.334 859 HG11 VAL 111 HG11 VAL 111 6.099 7.087 -11.436 860 HG12 VAL 111 HG12 VAL 111 7.787 7.574 -11.279 861 HG13 VAL 111 HG13 VAL 111 6.700 8.487 -12.327 862 HG21 VAL 111 HG21 VAL 111 8.390 9.590 -10.007 863 HG22 VAL 111 HG22 VAL 111 7.139 10.579 -9.254 864 HG23 VAL 111 HG23 VAL 111 7.340 10.595 -11.007 865 H MET 112 H MET 112 3.795 8.603 -8.269 866 HA MET 112 HA MET 112 3.001 6.023 -9.226 867 HB2 MET 112 HB2 MET 112 2.222 7.454 -6.683 868 HB3 MET 112 HB3 MET 112 1.920 5.757 -7.032 869 HG2 MET 112 HG2 MET 112 4.456 5.565 -7.319 870 HG3 MET 112 HG3 MET 112 4.531 7.132 -6.518 871 HE1 MET 112 HE1 MET 112 1.961 4.231 -5.884 872 HE2 MET 112 HE2 MET 112 2.777 3.324 -4.612 873 HE3 MET 112 HE3 MET 112 3.472 3.393 -6.232 874 H LYS 113 H LYS 113 1.461 9.133 -8.886 875 HA LYS 113 HA LYS 113 -1.160 8.126 -9.572 876 HB2 LYS 113 HB2 LYS 113 -1.813 10.486 -9.676 877 HB3 LYS 113 HB3 LYS 113 -0.923 10.160 -8.191 878 HG2 LYS 113 HG2 LYS 113 0.952 11.303 -8.915 879 HG3 LYS 113 HG3 LYS 113 0.497 11.176 -10.613 880 HD2 LYS 113 HD2 LYS 113 -1.437 12.693 -10.098 881 HD3 LYS 113 HD3 LYS 113 -0.717 12.946 -8.504 882 HE2 LYS 113 HE2 LYS 113 -0.126 14.699 -10.167 883 HE3 LYS 113 HE3 LYS 113 1.269 13.865 -9.478 884 HZ1 LYS 113 HZ1 LYS 113 0.039 13.245 -12.117 885 HZ2 LYS 113 HZ2 LYS 113 1.419 12.519 -11.461 886 HZ3 LYS 113 HZ3 LYS 113 1.455 14.153 -11.892 887 H GLN 114 H GLN 114 1.700 8.947 -11.160 888 HA GLN 114 HA GLN 114 2.355 9.004 -13.308 889 HB2 GLN 114 HB2 GLN 114 -0.387 7.922 -13.868 890 HB3 GLN 114 HB3 GLN 114 0.929 7.996 -15.029 891 HG2 GLN 114 HG2 GLN 114 2.247 6.479 -13.667 892 HG3 GLN 114 HG3 GLN 114 0.967 6.438 -12.456 893 HE21 GLN 114 HE21 GLN 114 1.915 5.464 -15.657 894 HE22 GLN 114 HE22 GLN 114 0.677 4.278 -15.883 895 H GLN 115 H GLN 115 -0.792 9.520 -14.389 896 HA GLN 115 HA GLN 115 -0.237 11.646 -16.047 897 HB2 GLN 115 HB2 GLN 115 -2.239 10.221 -16.215 898 HB3 GLN 115 HB3 GLN 115 -2.892 10.979 -14.770 899 HG2 GLN 115 HG2 GLN 115 -2.959 13.128 -15.931 900 HG3 GLN 115 HG3 GLN 115 -2.320 12.357 -17.383 901 HE21 GLN 115 HE21 GLN 115 -3.633 10.975 -18.566 902 HE22 GLN 115 HE22 GLN 115 -5.354 10.936 -18.369 903 HA PRO 116 HA PRO 116 -0.235 15.136 -13.264 904 HB2 PRO 116 HB2 PRO 116 -0.018 16.921 -15.465 905 HB3 PRO 116 HB3 PRO 116 1.277 16.351 -14.416 906 HG2 PRO 116 HG2 PRO 116 0.965 15.742 -17.118 907 HG3 PRO 116 HG3 PRO 116 2.026 14.904 -15.978 908 HD2 PRO 116 HD2 PRO 116 -0.634 14.111 -17.027 909 HD3 PRO 116 HD3 PRO 116 0.724 13.096 -16.501 910 H VAL 117 H VAL 117 -2.018 15.946 -12.428 911 HA VAL 117 HA VAL 117 -4.337 16.358 -14.160 912 HB VAL 117 HB VAL 117 -5.626 16.521 -12.005 913 HG11 VAL 117 HG11 VAL 117 -4.084 13.964 -12.451 914 HG12 VAL 117 HG12 VAL 117 -5.520 14.470 -13.343 915 HG13 VAL 117 HG13 VAL 117 -5.632 14.117 -11.618 916 HG21 VAL 117 HG21 VAL 117 -3.010 15.590 -10.808 917 HG22 VAL 117 HG22 VAL 117 -4.561 15.643 -9.968 918 HG23 VAL 117 HG23 VAL 117 -3.801 17.139 -10.510 919 H ALA 118 H ALA 118 -5.187 18.302 -14.535 920 HA ALA 118 HA ALA 118 -3.656 20.609 -13.672 921 HB1 ALA 118 HB1 ALA 118 -4.986 21.861 -15.274 922 HB2 ALA 118 HB2 ALA 118 -6.035 20.464 -15.522 923 HB3 ALA 118 HB3 ALA 118 -4.342 20.397 -16.015 924 H ILE 119 H ILE 119 -4.503 19.925 -11.420 925 HA ILE 119 HA ILE 119 -6.569 21.873 -10.775 926 HB ILE 119 HB ILE 119 -7.836 19.844 -10.824 927 HG12 ILE 119 HG12 ILE 119 -7.173 20.533 -7.957 928 HG13 ILE 119 HG13 ILE 119 -8.294 21.416 -8.988 929 HG21 ILE 119 HG21 ILE 119 -5.772 18.631 -8.997 930 HG22 ILE 119 HG22 ILE 119 -6.063 18.208 -10.687 931 HG23 ILE 119 HG23 ILE 119 -7.296 17.879 -9.468 932 HD11 ILE 119 HD11 ILE 119 -9.475 19.958 -7.453 933 HD12 ILE 119 HD12 ILE 119 -8.597 18.562 -8.077 934 HD13 ILE 119 HD13 ILE 119 -9.720 19.436 -9.120 935 H SER 120 H SER 120 -5.533 23.258 -9.552 936 HA SER 120 HA SER 120 -4.000 22.320 -7.261 937 HB2 SER 120 HB2 SER 120 -2.816 24.227 -9.302 938 HB3 SER 120 HB3 SER 120 -2.036 23.653 -7.827 939 HG SER 120 HG SER 120 -2.673 21.475 -9.006 940 H SER 121 H SER 121 -3.462 24.126 -5.787 941 HA SER 121 HA SER 121 -5.720 25.908 -5.609 942 HB2 SER 121 HB2 SER 121 -4.399 26.590 -3.450 943 HB3 SER 121 HB3 SER 121 -5.198 25.021 -3.532 944 HG SER 121 HG SER 121 -3.312 24.036 -3.600 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -27.104 14.154 -38.078 2 H2 MET 1 H2 MET 1 -28.103 14.147 -39.443 3 H3 MET 1 H3 MET 1 -26.670 15.048 -39.453 4 HA MET 1 HA MET 1 -26.833 12.103 -39.242 5 HB2 MET 1 HB2 MET 1 -26.101 13.888 -41.573 6 HB3 MET 1 HB3 MET 1 -25.807 12.156 -41.529 7 HG2 MET 1 HG2 MET 1 -27.774 12.450 -42.775 8 HG3 MET 1 HG3 MET 1 -28.287 11.862 -41.195 9 HE1 MET 1 HE1 MET 1 -27.101 15.466 -42.239 10 HE2 MET 1 HE2 MET 1 -28.644 16.241 -42.599 11 HE3 MET 1 HE3 MET 1 -28.061 14.923 -43.615 12 H GLY 2 H GLY 2 -24.465 11.533 -40.422 13 HA2 GLY 2 HA2 GLY 2 -22.283 13.113 -39.583 14 HA3 GLY 2 HA3 GLY 2 -22.615 11.890 -38.362 15 H HIS 3 H HIS 3 -22.533 9.679 -38.956 16 HA HIS 3 HA HIS 3 -21.300 7.938 -39.717 17 HB2 HIS 3 HB2 HIS 3 -22.708 9.038 -42.100 18 HB3 HIS 3 HB3 HIS 3 -21.581 7.699 -42.321 19 HD1 HIS 3 HD1 HIS 3 -24.839 7.703 -42.521 20 HD2 HIS 3 HD2 HIS 3 -22.447 6.114 -39.511 21 HE1 HIS 3 HE1 HIS 3 -26.219 5.904 -41.427 22 HE2 HIS 3 HE2 HIS 3 -24.653 4.803 -39.794 23 H HIS 4 H HIS 4 -19.326 8.915 -39.033 24 HA HIS 4 HA HIS 4 -17.518 9.264 -41.318 25 HB2 HIS 4 HB2 HIS 4 -17.894 11.066 -38.984 26 HB3 HIS 4 HB3 HIS 4 -16.241 10.779 -39.515 27 HD1 HIS 4 HD1 HIS 4 -19.554 11.868 -41.078 28 HD2 HIS 4 HD2 HIS 4 -15.455 12.436 -41.493 29 HE1 HIS 4 HE1 HIS 4 -19.291 13.611 -42.865 30 HE2 HIS 4 HE2 HIS 4 -16.804 13.779 -43.245 31 H HIS 5 H HIS 5 -15.797 8.013 -41.254 32 HA HIS 5 HA HIS 5 -15.081 6.750 -38.701 33 HB2 HIS 5 HB2 HIS 5 -14.490 4.689 -40.153 34 HB3 HIS 5 HB3 HIS 5 -16.168 4.960 -39.707 35 HD1 HIS 5 HD1 HIS 5 -14.021 6.099 -42.669 36 HD2 HIS 5 HD2 HIS 5 -17.720 4.405 -41.822 37 HE1 HIS 5 HE1 HIS 5 -15.125 5.737 -44.896 38 HE2 HIS 5 HE2 HIS 5 -17.248 4.489 -44.358 39 H HIS 6 H HIS 6 -13.069 7.076 -38.175 40 HA HIS 6 HA HIS 6 -11.181 7.880 -40.294 41 HB2 HIS 6 HB2 HIS 6 -11.846 9.647 -38.632 42 HB3 HIS 6 HB3 HIS 6 -11.116 8.660 -37.372 43 HD1 HIS 6 HD1 HIS 6 -8.671 8.986 -36.961 44 HD2 HIS 6 HD2 HIS 6 -9.911 10.588 -40.596 45 HE1 HIS 6 HE1 HIS 6 -6.684 10.235 -37.871 46 HE2 HIS 6 HE2 HIS 6 -7.526 11.362 -39.965 47 H HIS 7 H HIS 7 -9.873 6.213 -40.725 48 HA HIS 7 HA HIS 7 -9.229 4.260 -38.674 49 HB2 HIS 7 HB2 HIS 7 -8.446 4.470 -41.588 50 HB3 HIS 7 HB3 HIS 7 -7.921 3.167 -40.525 51 HD1 HIS 7 HD1 HIS 7 -10.408 3.897 -42.951 52 HD2 HIS 7 HD2 HIS 7 -10.368 1.828 -39.341 53 HE1 HIS 7 HE1 HIS 7 -12.423 2.385 -43.008 54 HE2 HIS 7 HE2 HIS 7 -12.282 1.021 -40.889 55 H HIS 8 H HIS 8 -7.642 4.624 -37.287 56 HA HIS 8 HA HIS 8 -5.096 5.597 -38.263 57 HB2 HIS 8 HB2 HIS 8 -6.282 7.693 -37.719 58 HB3 HIS 8 HB3 HIS 8 -6.548 7.108 -36.079 59 HD1 HIS 8 HD1 HIS 8 -4.894 7.946 -34.443 60 HD2 HIS 8 HD2 HIS 8 -3.315 7.763 -38.290 61 HE1 HIS 8 HE1 HIS 8 -2.550 8.848 -34.262 62 HE2 HIS 8 HE2 HIS 8 -1.703 8.941 -36.639 63 H SER 9 H SER 9 -4.194 3.688 -37.660 64 HA SER 9 HA SER 9 -4.112 3.008 -34.830 65 HB2 SER 9 HB2 SER 9 -4.128 1.202 -36.527 66 HB3 SER 9 HB3 SER 9 -2.631 1.833 -37.209 67 HG SER 9 HG SER 9 -1.610 0.711 -35.778 68 H HIS 10 H HIS 10 -1.861 2.826 -33.821 69 HA HIS 10 HA HIS 10 -0.260 5.120 -34.720 70 HB2 HIS 10 HB2 HIS 10 -1.172 5.134 -32.351 71 HB3 HIS 10 HB3 HIS 10 -0.090 3.784 -32.015 72 HD1 HIS 10 HD1 HIS 10 2.547 4.335 -32.388 73 HD2 HIS 10 HD2 HIS 10 -0.015 7.598 -32.143 74 HE1 HIS 10 HE1 HIS 10 4.026 6.319 -31.957 75 HE2 HIS 10 HE2 HIS 10 2.475 8.306 -32.040 76 H MET 11 H MET 11 1.369 4.526 -35.959 77 HA MET 11 HA MET 11 2.477 1.937 -36.047 78 HB2 MET 11 HB2 MET 11 3.630 4.557 -37.021 79 HB3 MET 11 HB3 MET 11 4.252 2.969 -37.439 80 HG2 MET 11 HG2 MET 11 2.959 3.690 -39.271 81 HG3 MET 11 HG3 MET 11 2.003 2.464 -38.443 82 HE1 MET 11 HE1 MET 11 -0.245 3.151 -39.597 83 HE2 MET 11 HE2 MET 11 0.661 4.311 -40.571 84 HE3 MET 11 HE3 MET 11 -0.807 4.816 -39.735 85 H ALA 12 H ALA 12 3.417 1.086 -34.333 86 HA ALA 12 HA ALA 12 4.820 0.710 -32.600 87 HB1 ALA 12 HB1 ALA 12 6.525 2.820 -33.907 88 HB2 ALA 12 HB2 ALA 12 6.540 1.099 -34.290 89 HB3 ALA 12 HB3 ALA 12 7.060 1.653 -32.699 90 H GLN 13 H GLN 13 3.266 1.534 -31.090 91 HA GLN 13 HA GLN 13 3.901 4.201 -30.048 92 HB2 GLN 13 HB2 GLN 13 1.523 3.764 -30.486 93 HB3 GLN 13 HB3 GLN 13 1.571 2.389 -29.390 94 HG2 GLN 13 HG2 GLN 13 2.106 3.890 -27.533 95 HG3 GLN 13 HG3 GLN 13 2.050 5.266 -28.632 96 HE21 GLN 13 HE21 GLN 13 0.478 4.658 -26.241 97 HE22 GLN 13 HE22 GLN 13 -1.179 4.701 -26.742 98 H PHE 14 H PHE 14 5.843 3.648 -29.064 99 HA PHE 14 HA PHE 14 5.501 2.063 -26.618 100 HB2 PHE 14 HB2 PHE 14 8.011 1.787 -26.652 101 HB3 PHE 14 HB3 PHE 14 7.151 0.950 -27.933 102 HD1 PHE 14 HD2 PHE 14 7.134 1.987 -30.239 103 HD2 PHE 14 HD1 PHE 14 9.719 3.307 -27.128 104 HE1 PHE 14 HE2 PHE 14 8.599 3.043 -31.908 105 HE2 PHE 14 HE1 PHE 14 11.194 4.357 -28.792 106 HZ PHE 14 HZ PHE 14 10.631 4.226 -31.188 107 HA PRO 15 HA PRO 15 5.943 6.227 -25.003 108 HB2 PRO 15 HB2 PRO 15 4.825 5.735 -22.608 109 HB3 PRO 15 HB3 PRO 15 3.862 5.933 -24.076 110 HG2 PRO 15 HG2 PRO 15 4.654 3.435 -22.650 111 HG3 PRO 15 HG3 PRO 15 3.124 3.849 -23.434 112 HD2 PRO 15 HD2 PRO 15 5.071 2.266 -24.565 113 HD3 PRO 15 HD3 PRO 15 3.854 3.169 -25.487 114 H THR 16 H THR 16 7.738 6.973 -24.196 115 HA THR 16 HA THR 16 9.081 5.518 -22.028 116 HB THR 16 HB THR 16 11.272 6.308 -22.993 117 HG1 THR 16 HG1 THR 16 10.255 7.891 -24.421 118 HG21 THR 16 HG21 THR 16 10.501 3.988 -23.258 119 HG22 THR 16 HG22 THR 16 11.427 4.534 -24.656 120 HG23 THR 16 HG23 THR 16 9.668 4.439 -24.745 121 HA PRO 17 HA PRO 17 8.661 9.744 -20.483 122 HB2 PRO 17 HB2 PRO 17 8.623 8.743 -17.829 123 HB3 PRO 17 HB3 PRO 17 7.241 9.280 -18.785 124 HG2 PRO 17 HG2 PRO 17 7.741 6.662 -17.951 125 HG3 PRO 17 HG3 PRO 17 6.592 7.152 -19.205 126 HD2 PRO 17 HD2 PRO 17 9.342 6.040 -19.481 127 HD3 PRO 17 HD3 PRO 17 7.926 5.843 -20.530 128 H PHE 18 H PHE 18 9.826 10.733 -18.456 129 HA PHE 18 HA PHE 18 12.622 9.835 -18.603 130 HB2 PHE 18 HB2 PHE 18 11.496 12.620 -18.354 131 HB3 PHE 18 HB3 PHE 18 13.192 12.244 -18.066 132 HD1 PHE 18 HD2 PHE 18 14.608 11.431 -19.905 133 HD2 PHE 18 HD1 PHE 18 10.609 12.733 -20.563 134 HE1 PHE 18 HE2 PHE 18 15.070 11.612 -22.314 135 HE2 PHE 18 HE1 PHE 18 11.063 12.915 -22.974 136 HZ PHE 18 HZ PHE 18 13.295 12.353 -23.852 137 H GLY 19 H GLY 19 12.610 8.505 -16.844 138 HA2 GLY 19 HA2 GLY 19 12.304 9.843 -14.236 139 HA3 GLY 19 HA3 GLY 19 12.371 8.100 -14.485 140 H GLY 20 H GLY 20 14.375 7.130 -15.052 141 HA2 GLY 20 HA2 GLY 20 16.659 6.920 -15.246 142 HA3 GLY 20 HA3 GLY 20 16.742 8.659 -15.458 143 H SER 21 H SER 21 15.172 7.764 -12.592 144 HA SER 21 HA SER 21 17.612 8.351 -11.056 145 HB2 SER 21 HB2 SER 21 14.709 8.600 -10.216 146 HB3 SER 21 HB3 SER 21 16.111 9.083 -9.260 147 HG SER 21 HG SER 21 16.284 10.852 -10.391 148 H LEU 22 H LEU 22 16.834 5.749 -12.162 149 HA LEU 22 HA LEU 22 16.491 3.571 -11.655 150 HB2 LEU 22 HB2 LEU 22 18.376 4.266 -10.031 151 HB3 LEU 22 HB3 LEU 22 17.152 4.116 -8.797 152 HG LEU 22 HG LEU 22 17.989 1.896 -10.667 153 HD11 LEU 22 HD11 LEU 22 18.709 2.355 -7.777 154 HD12 LEU 22 HD12 LEU 22 19.799 2.525 -9.153 155 HD13 LEU 22 HD13 LEU 22 19.135 0.943 -8.744 156 HD21 LEU 22 HD21 LEU 22 16.262 1.849 -8.193 157 HD22 LEU 22 HD22 LEU 22 16.756 0.445 -9.138 158 HD23 LEU 22 HD23 LEU 22 15.694 1.659 -9.852 159 H ASP 23 H ASP 23 14.490 3.206 -11.882 160 HA ASP 23 HA ASP 23 12.515 4.653 -10.365 161 HB2 ASP 23 HB2 ASP 23 12.066 2.616 -12.551 162 HB3 ASP 23 HB3 ASP 23 10.886 3.765 -11.924 163 H THR 24 H THR 24 12.630 3.843 -8.329 164 HA THR 24 HA THR 24 11.579 1.113 -7.975 165 HB THR 24 HB THR 24 12.870 2.825 -5.845 166 HG1 THR 24 HG1 THR 24 14.006 1.556 -7.963 167 HG21 THR 24 HG21 THR 24 12.419 -0.157 -6.064 168 HG22 THR 24 HG22 THR 24 11.499 0.952 -5.045 169 HG23 THR 24 HG23 THR 24 13.211 0.666 -4.724 170 H TRP 25 H TRP 25 11.199 4.508 -7.160 171 HA TRP 25 HA TRP 25 8.761 4.079 -5.673 172 HB2 TRP 25 HB2 TRP 25 10.170 6.553 -6.676 173 HB3 TRP 25 HB3 TRP 25 8.617 6.619 -5.854 174 HD1 TRP 25 HD1 TRP 25 12.311 6.312 -5.216 175 HE1 TRP 25 HE1 TRP 25 12.751 6.234 -2.676 176 HE3 TRP 25 HE3 TRP 25 7.500 5.719 -3.592 177 HZ2 TRP 25 HZ2 TRP 25 11.244 5.952 -0.307 178 HZ3 TRP 25 HZ3 TRP 25 7.085 5.552 -1.172 179 HH2 TRP 25 HH2 TRP 25 8.921 5.665 0.434 180 H ALA 26 H ALA 26 9.654 4.321 -8.922 181 HA ALA 26 HA ALA 26 7.160 5.361 -9.908 182 HB1 ALA 26 HB1 ALA 26 8.048 4.903 -12.109 183 HB2 ALA 26 HB2 ALA 26 9.357 3.947 -11.416 184 HB3 ALA 26 HB3 ALA 26 9.282 5.685 -11.123 185 H ILE 27 H ILE 27 5.797 4.110 -11.430 186 HA ILE 27 HA ILE 27 5.365 1.421 -10.355 187 HB ILE 27 HB ILE 27 3.529 3.027 -12.135 188 HG12 ILE 27 HG12 ILE 27 3.442 2.622 -9.134 189 HG13 ILE 27 HG13 ILE 27 3.891 4.118 -9.947 190 HG21 ILE 27 HG21 ILE 27 3.153 0.632 -12.272 191 HG22 ILE 27 HG22 ILE 27 1.827 1.409 -11.408 192 HG23 ILE 27 HG23 ILE 27 3.065 0.526 -10.515 193 HD11 ILE 27 HD11 ILE 27 1.641 4.268 -10.891 194 HD12 ILE 27 HD12 ILE 27 1.613 4.214 -9.129 195 HD13 ILE 27 HD13 ILE 27 1.197 2.777 -10.062 196 H THR 28 H THR 28 7.129 0.511 -11.499 197 HA THR 28 HA THR 28 7.246 0.321 -14.322 198 HB THR 28 HB THR 28 8.206 -1.813 -12.416 199 HG1 THR 28 HG1 THR 28 9.632 0.587 -12.991 200 HG21 THR 28 HG21 THR 28 8.541 -2.202 -14.812 201 HG22 THR 28 HG22 THR 28 10.078 -1.970 -13.981 202 HG23 THR 28 HG23 THR 28 9.393 -0.662 -14.944 203 H VAL 29 H VAL 29 6.766 -1.766 -15.551 204 HA VAL 29 HA VAL 29 4.136 -2.613 -15.254 205 HB VAL 29 HB VAL 29 5.473 -2.897 -17.317 206 HG11 VAL 29 HG11 VAL 29 6.922 -4.855 -17.580 207 HG12 VAL 29 HG12 VAL 29 6.736 -5.217 -15.865 208 HG13 VAL 29 HG13 VAL 29 7.545 -3.733 -16.371 209 HG21 VAL 29 HG21 VAL 29 3.362 -4.073 -17.055 210 HG22 VAL 29 HG22 VAL 29 4.198 -5.426 -16.292 211 HG23 VAL 29 HG23 VAL 29 4.506 -5.040 -17.986 212 H GLU 30 H GLU 30 7.084 -3.944 -13.899 213 HA GLU 30 HA GLU 30 6.025 -6.286 -12.769 214 HB2 GLU 30 HB2 GLU 30 8.314 -4.589 -11.765 215 HB3 GLU 30 HB3 GLU 30 8.037 -6.285 -11.426 216 HG2 GLU 30 HG2 GLU 30 8.403 -6.844 -13.754 217 HG3 GLU 30 HG3 GLU 30 8.627 -5.136 -14.135 218 H GLU 31 H GLU 31 6.299 -2.979 -11.618 219 HA GLU 31 HA GLU 31 5.333 -3.531 -8.993 220 HB2 GLU 31 HB2 GLU 31 5.693 -0.958 -10.526 221 HB3 GLU 31 HB3 GLU 31 5.119 -1.023 -8.864 222 HG2 GLU 31 HG2 GLU 31 7.768 -2.031 -9.864 223 HG3 GLU 31 HG3 GLU 31 7.492 -0.562 -8.927 224 H ARG 32 H ARG 32 3.900 -2.549 -12.033 225 HA ARG 32 HA ARG 32 1.283 -2.086 -11.192 226 HB2 ARG 32 HB2 ARG 32 1.958 -1.721 -13.492 227 HB3 ARG 32 HB3 ARG 32 2.316 -3.425 -13.705 228 HG2 ARG 32 HG2 ARG 32 -0.437 -2.838 -12.863 229 HG3 ARG 32 HG3 ARG 32 0.006 -2.230 -14.460 230 HD2 ARG 32 HD2 ARG 32 0.264 -4.320 -15.331 231 HD3 ARG 32 HD3 ARG 32 0.786 -5.012 -13.796 232 HE ARG 32 HE ARG 32 -1.511 -5.129 -13.115 233 HH11 ARG 32 HH11 ARG 32 -1.034 -4.299 -16.500 234 HH12 ARG 32 HH12 ARG 32 -2.624 -4.826 -16.974 235 HH21 ARG 32 HH21 ARG 32 -3.552 -5.866 -13.743 236 HH22 ARG 32 HH22 ARG 32 -4.045 -5.760 -15.414 237 H ALA 33 H ALA 33 2.906 -5.108 -12.041 238 HA ALA 33 HA ALA 33 0.769 -6.852 -11.535 239 HB1 ALA 33 HB1 ALA 33 2.783 -7.487 -12.776 240 HB2 ALA 33 HB2 ALA 33 2.424 -8.617 -11.471 241 HB3 ALA 33 HB3 ALA 33 3.713 -7.430 -11.278 242 H LYS 34 H LYS 34 2.702 -5.092 -9.313 243 HA LYS 34 HA LYS 34 2.612 -6.759 -7.060 244 HB2 LYS 34 HB2 LYS 34 2.714 -3.775 -7.385 245 HB3 LYS 34 HB3 LYS 34 2.556 -4.493 -5.792 246 HG2 LYS 34 HG2 LYS 34 4.807 -5.042 -7.714 247 HG3 LYS 34 HG3 LYS 34 4.873 -3.904 -6.368 248 HD2 LYS 34 HD2 LYS 34 4.107 -6.002 -4.983 249 HD3 LYS 34 HD3 LYS 34 4.805 -6.884 -6.341 250 HE2 LYS 34 HE2 LYS 34 6.206 -4.855 -4.602 251 HE3 LYS 34 HE3 LYS 34 6.443 -6.600 -4.566 252 HZ1 LYS 34 HZ1 LYS 34 7.151 -4.731 -6.773 253 HZ2 LYS 34 HZ2 LYS 34 7.216 -6.420 -6.909 254 HZ3 LYS 34 HZ3 LYS 34 8.210 -5.626 -5.796 255 H HIS 35 H HIS 35 0.282 -4.337 -8.226 256 HA HIS 35 HA HIS 35 -1.359 -4.693 -5.900 257 HB2 HIS 35 HB2 HIS 35 -2.793 -3.022 -6.768 258 HB3 HIS 35 HB3 HIS 35 -1.152 -2.514 -7.110 259 HD1 HIS 35 HD1 HIS 35 -0.633 -1.943 -9.501 260 HD2 HIS 35 HD2 HIS 35 -4.241 -3.954 -9.103 261 HE1 HIS 35 HE1 HIS 35 -1.746 -1.779 -11.744 262 HE2 HIS 35 HE2 HIS 35 -3.827 -3.185 -11.530 263 H ASP 36 H ASP 36 -1.325 -5.963 -9.126 264 HA ASP 36 HA ASP 36 -3.968 -7.006 -9.093 265 HB2 ASP 36 HB2 ASP 36 -1.538 -7.850 -10.689 266 HB3 ASP 36 HB3 ASP 36 -3.159 -8.485 -10.947 267 H GLN 37 H GLN 37 -0.811 -8.355 -8.224 268 HA GLN 37 HA GLN 37 -1.886 -10.962 -7.718 269 HB2 GLN 37 HB2 GLN 37 0.420 -10.673 -8.489 270 HB3 GLN 37 HB3 GLN 37 0.813 -9.804 -7.012 271 HG2 GLN 37 HG2 GLN 37 0.335 -11.814 -5.703 272 HG3 GLN 37 HG3 GLN 37 -0.052 -12.682 -7.187 273 HE21 GLN 37 HE21 GLN 37 2.475 -11.267 -5.261 274 HE22 GLN 37 HE22 GLN 37 3.804 -12.039 -6.079 275 H GLN 38 H GLN 38 -0.533 -8.424 -5.584 276 HA GLN 38 HA GLN 38 -0.919 -9.921 -3.226 277 HB2 GLN 38 HB2 GLN 38 -0.290 -7.068 -3.806 278 HB3 GLN 38 HB3 GLN 38 -0.797 -7.498 -2.182 279 HG2 GLN 38 HG2 GLN 38 1.630 -7.465 -2.403 280 HG3 GLN 38 HG3 GLN 38 1.029 -9.066 -1.980 281 HE21 GLN 38 HE21 GLN 38 2.431 -7.106 -4.479 282 HE22 GLN 38 HE22 GLN 38 2.916 -8.405 -5.513 283 H PHE 39 H PHE 39 -2.971 -7.515 -4.815 284 HA PHE 39 HA PHE 39 -4.943 -7.372 -2.799 285 HB2 PHE 39 HB2 PHE 39 -4.851 -5.729 -4.576 286 HB3 PHE 39 HB3 PHE 39 -5.129 -6.967 -5.791 287 HD1 PHE 39 HD1 PHE 39 -6.900 -6.324 -2.568 288 HD2 PHE 39 HD2 PHE 39 -7.102 -6.407 -6.818 289 HE1 PHE 39 HE1 PHE 39 -9.317 -5.857 -2.464 290 HE2 PHE 39 HE2 PHE 39 -9.512 -5.939 -6.722 291 HZ PHE 39 HZ PHE 39 -10.622 -5.646 -4.544 292 H HIS 40 H HIS 40 -4.449 -9.550 -5.510 293 HA HIS 40 HA HIS 40 -6.905 -10.966 -5.222 294 HB2 HIS 40 HB2 HIS 40 -5.478 -10.865 -7.301 295 HB3 HIS 40 HB3 HIS 40 -4.329 -11.923 -6.494 296 HD1 HIS 40 HD1 HIS 40 -4.739 -13.613 -8.457 297 HD2 HIS 40 HD2 HIS 40 -8.040 -12.897 -6.028 298 HE1 HIS 40 HE1 HIS 40 -6.379 -15.448 -8.979 299 HE2 HIS 40 HE2 HIS 40 -8.280 -15.101 -7.361 300 H SER 41 H SER 41 -3.667 -11.315 -3.927 301 HA SER 41 HA SER 41 -4.131 -13.862 -2.707 302 HB2 SER 41 HB2 SER 41 -1.872 -13.059 -3.376 303 HB3 SER 41 HB3 SER 41 -1.962 -11.829 -2.119 304 HG SER 41 HG SER 41 -2.330 -13.727 -0.663 305 H LEU 42 H LEU 42 -4.900 -10.633 -1.856 306 HA LEU 42 HA LEU 42 -4.904 -11.053 1.005 307 HB2 LEU 42 HB2 LEU 42 -4.855 -8.837 -0.694 308 HB3 LEU 42 HB3 LEU 42 -6.424 -8.759 0.082 309 HG LEU 42 HG LEU 42 -3.753 -8.836 1.493 310 HD11 LEU 42 HD11 LEU 42 -4.167 -6.714 0.397 311 HD12 LEU 42 HD12 LEU 42 -4.307 -6.544 2.147 312 HD13 LEU 42 HD13 LEU 42 -5.759 -6.613 1.149 313 HD21 LEU 42 HD21 LEU 42 -5.457 -9.969 2.802 314 HD22 LEU 42 HD22 LEU 42 -6.542 -8.591 2.616 315 HD23 LEU 42 HD23 LEU 42 -5.043 -8.419 3.532 316 H LYS 43 H LYS 43 -6.812 -12.262 -1.270 317 HA LYS 43 HA LYS 43 -8.931 -13.038 -1.444 318 HB2 LYS 43 HB2 LYS 43 -8.813 -12.760 1.562 319 HB3 LYS 43 HB3 LYS 43 -10.163 -13.489 0.710 320 HG2 LYS 43 HG2 LYS 43 -8.903 -15.300 1.402 321 HG3 LYS 43 HG3 LYS 43 -8.420 -15.088 -0.280 322 HD2 LYS 43 HD2 LYS 43 -6.402 -13.928 0.423 323 HD3 LYS 43 HD3 LYS 43 -6.900 -14.047 2.112 324 HE2 LYS 43 HE2 LYS 43 -6.822 -16.492 1.951 325 HE3 LYS 43 HE3 LYS 43 -6.294 -16.360 0.276 326 HZ1 LYS 43 HZ1 LYS 43 -4.438 -16.743 1.765 327 HZ2 LYS 43 HZ2 LYS 43 -4.809 -15.337 2.638 328 HZ3 LYS 43 HZ3 LYS 43 -4.301 -15.225 1.025 329 HA PRO 44 HA PRO 44 -10.844 -8.835 -1.233 330 HB2 PRO 44 HB2 PRO 44 -11.576 -8.783 -3.851 331 HB3 PRO 44 HB3 PRO 44 -10.020 -8.185 -3.271 332 HG2 PRO 44 HG2 PRO 44 -10.686 -10.767 -4.601 333 HG3 PRO 44 HG3 PRO 44 -9.251 -9.747 -4.780 334 HD2 PRO 44 HD2 PRO 44 -9.309 -12.029 -3.270 335 HD3 PRO 44 HD3 PRO 44 -8.216 -10.667 -2.956 336 H ILE 45 H ILE 45 -12.943 -8.615 -0.787 337 HA ILE 45 HA ILE 45 -14.728 -10.862 -1.336 338 HB ILE 45 HB ILE 45 -15.161 -8.409 0.384 339 HG12 ILE 45 HG12 ILE 45 -13.492 -9.908 1.334 340 HG13 ILE 45 HG13 ILE 45 -14.981 -10.009 2.265 341 HG21 ILE 45 HG21 ILE 45 -17.266 -9.234 -0.515 342 HG22 ILE 45 HG22 ILE 45 -17.156 -9.577 1.211 343 HG23 ILE 45 HG23 ILE 45 -16.880 -10.864 0.037 344 HD11 ILE 45 HD11 ILE 45 -13.991 -12.199 1.946 345 HD12 ILE 45 HD12 ILE 45 -14.055 -11.990 0.196 346 HD13 ILE 45 HD13 ILE 45 -15.550 -12.094 1.128 347 H SER 46 H SER 46 -15.724 -10.798 -3.214 348 HA SER 46 HA SER 46 -16.918 -10.109 -5.005 349 HB2 SER 46 HB2 SER 46 -17.432 -7.615 -3.357 350 HB3 SER 46 HB3 SER 46 -18.264 -8.034 -4.856 351 HG SER 46 HG SER 46 -19.136 -9.826 -3.855 352 H GLY 47 H GLY 47 -15.630 -6.978 -3.949 353 HA2 GLY 47 HA2 GLY 47 -13.464 -7.010 -5.807 354 HA3 GLY 47 HA3 GLY 47 -14.807 -6.037 -6.396 355 H PHE 48 H PHE 48 -14.002 -6.411 -3.004 356 HA PHE 48 HA PHE 48 -12.706 -3.835 -2.880 357 HB2 PHE 48 HB2 PHE 48 -14.350 -2.930 -1.235 358 HB3 PHE 48 HB3 PHE 48 -14.995 -3.087 -2.860 359 HD1 PHE 48 HD1 PHE 48 -15.044 -4.510 0.541 360 HD2 PHE 48 HD2 PHE 48 -16.824 -4.512 -3.325 361 HE1 PHE 48 HE1 PHE 48 -16.949 -5.791 1.423 362 HE2 PHE 48 HE2 PHE 48 -18.731 -5.795 -2.450 363 HZ PHE 48 HZ PHE 48 -18.796 -6.437 -0.073 364 H ILE 49 H ILE 49 -12.352 -3.246 -0.492 365 HA ILE 49 HA ILE 49 -11.967 -5.615 1.183 366 HB ILE 49 HB ILE 49 -9.741 -4.676 1.897 367 HG12 ILE 49 HG12 ILE 49 -9.995 -3.068 -0.657 368 HG13 ILE 49 HG13 ILE 49 -10.090 -2.398 0.968 369 HG21 ILE 49 HG21 ILE 49 -9.866 -6.627 0.466 370 HG22 ILE 49 HG22 ILE 49 -8.506 -5.613 -0.014 371 HG23 ILE 49 HG23 ILE 49 -9.993 -5.602 -0.962 372 HD11 ILE 49 HD11 ILE 49 -7.791 -3.076 1.390 373 HD12 ILE 49 HD12 ILE 49 -7.902 -2.035 -0.029 374 HD13 ILE 49 HD13 ILE 49 -7.695 -3.776 -0.227 375 H THR 50 H THR 50 -10.765 -4.400 3.334 376 HA THR 50 HA THR 50 -12.295 -2.027 3.993 377 HB THR 50 HB THR 50 -13.805 -3.889 4.603 378 HG1 THR 50 HG1 THR 50 -14.347 -2.525 6.108 379 HG21 THR 50 HG21 THR 50 -13.224 -5.399 6.436 380 HG22 THR 50 HG22 THR 50 -11.603 -4.709 6.502 381 HG23 THR 50 HG23 THR 50 -12.124 -5.604 5.073 382 H GLY 51 H GLY 51 -11.681 -1.261 6.253 383 HA2 GLY 51 HA2 GLY 51 -8.932 -0.820 6.388 384 HA3 GLY 51 HA3 GLY 51 -10.060 -0.548 7.707 385 H ASP 52 H ASP 52 -10.896 -3.279 7.967 386 HA ASP 52 HA ASP 52 -9.019 -4.243 9.801 387 HB2 ASP 52 HB2 ASP 52 -11.239 -5.007 10.060 388 HB3 ASP 52 HB3 ASP 52 -11.332 -5.551 8.388 389 H GLN 53 H GLN 53 -9.730 -5.416 6.511 390 HA GLN 53 HA GLN 53 -7.722 -7.394 6.515 391 HB2 GLN 53 HB2 GLN 53 -8.982 -5.969 4.165 392 HB3 GLN 53 HB3 GLN 53 -8.004 -7.429 4.063 393 HG2 GLN 53 HG2 GLN 53 -9.689 -8.550 5.529 394 HG3 GLN 53 HG3 GLN 53 -10.695 -7.112 5.363 395 HE21 GLN 53 HE21 GLN 53 -8.670 -8.399 2.816 396 HE22 GLN 53 HE22 GLN 53 -9.957 -8.924 1.791 397 H ALA 54 H ALA 54 -7.730 -4.004 5.636 398 HA ALA 54 HA ALA 54 -5.210 -3.915 4.382 399 HB1 ALA 54 HB1 ALA 54 -6.618 -1.723 5.905 400 HB2 ALA 54 HB2 ALA 54 -6.857 -2.107 4.200 401 HB3 ALA 54 HB3 ALA 54 -5.293 -1.512 4.757 402 H ARG 55 H ARG 55 -6.134 -3.092 7.740 403 HA ARG 55 HA ARG 55 -3.478 -2.605 8.566 404 HB2 ARG 55 HB2 ARG 55 -4.350 -2.661 10.868 405 HB3 ARG 55 HB3 ARG 55 -5.325 -1.660 9.809 406 HG2 ARG 55 HG2 ARG 55 -6.952 -2.746 10.972 407 HG3 ARG 55 HG3 ARG 55 -6.771 -3.836 9.599 408 HD2 ARG 55 HD2 ARG 55 -6.870 -5.130 11.625 409 HD3 ARG 55 HD3 ARG 55 -5.243 -5.229 10.956 410 HE ARG 55 HE ARG 55 -5.499 -3.137 12.895 411 HH11 ARG 55 HH11 ARG 55 -5.098 -6.602 12.536 412 HH12 ARG 55 HH12 ARG 55 -4.302 -6.795 14.069 413 HH21 ARG 55 HH21 ARG 55 -4.455 -3.401 14.916 414 HH22 ARG 55 HH22 ARG 55 -3.955 -4.986 15.418 415 H ASN 56 H ASN 56 -5.417 -5.527 8.494 416 HA ASN 56 HA ASN 56 -3.712 -7.140 10.065 417 HB2 ASN 56 HB2 ASN 56 -5.964 -7.879 9.568 418 HB3 ASN 56 HB3 ASN 56 -5.628 -7.874 7.840 419 HD21 ASN 56 HD21 ASN 56 -5.062 -9.502 10.867 420 HD22 ASN 56 HD22 ASN 56 -4.470 -10.984 10.192 421 H PHE 57 H PHE 57 -3.918 -6.662 6.551 422 HA PHE 57 HA PHE 57 -1.810 -8.392 5.871 423 HB2 PHE 57 HB2 PHE 57 -3.472 -7.574 4.254 424 HB3 PHE 57 HB3 PHE 57 -2.791 -5.954 4.383 425 HD1 PHE 57 HD1 PHE 57 -0.665 -5.420 3.389 426 HD2 PHE 57 HD2 PHE 57 -2.300 -9.335 3.075 427 HE1 PHE 57 HE1 PHE 57 0.964 -5.953 1.648 428 HE2 PHE 57 HE2 PHE 57 -0.665 -9.873 1.310 429 HZ PHE 57 HZ PHE 57 0.972 -8.180 0.594 430 H PHE 58 H PHE 58 -1.847 -4.867 6.353 431 HA PHE 58 HA PHE 58 0.853 -4.390 5.867 432 HB2 PHE 58 HB2 PHE 58 -0.918 -2.950 7.856 433 HB3 PHE 58 HB3 PHE 58 0.608 -2.351 7.228 434 HD1 PHE 58 HD2 PHE 58 -0.166 -3.500 4.343 435 HD2 PHE 58 HD1 PHE 58 -1.999 -0.893 7.155 436 HE1 PHE 58 HE2 PHE 58 -1.392 -2.395 2.518 437 HE2 PHE 58 HE1 PHE 58 -3.234 0.209 5.339 438 HZ PHE 58 HZ PHE 58 -2.928 -0.538 3.015 439 H PHE 59 H PHE 59 -0.768 -5.193 8.932 440 HA PHE 59 HA PHE 59 1.542 -5.057 10.548 441 HB2 PHE 59 HB2 PHE 59 -0.805 -5.001 11.391 442 HB3 PHE 59 HB3 PHE 59 -0.950 -6.711 11.003 443 HD1 PHE 59 HD1 PHE 59 1.192 -4.378 12.967 444 HD2 PHE 59 HD2 PHE 59 -0.515 -8.264 12.650 445 HE1 PHE 59 HE1 PHE 59 2.080 -4.944 15.192 446 HE2 PHE 59 HE2 PHE 59 0.371 -8.839 14.874 447 HZ PHE 59 HZ PHE 59 1.669 -7.179 16.146 448 H GLN 60 H GLN 60 0.155 -7.580 8.591 449 HA GLN 60 HA GLN 60 1.456 -9.820 9.621 450 HB2 GLN 60 HB2 GLN 60 -0.435 -9.946 8.098 451 HB3 GLN 60 HB3 GLN 60 0.510 -9.207 6.816 452 HG2 GLN 60 HG2 GLN 60 1.514 -11.736 7.998 453 HG3 GLN 60 HG3 GLN 60 0.091 -11.807 6.963 454 HE21 GLN 60 HE21 GLN 60 1.022 -9.515 5.358 455 HE22 GLN 60 HE22 GLN 60 2.263 -10.149 4.332 456 H SER 61 H SER 61 2.661 -7.270 7.563 457 HA SER 61 HA SER 61 4.887 -8.747 6.533 458 HB2 SER 61 HB2 SER 61 5.673 -6.615 5.669 459 HB3 SER 61 HB3 SER 61 3.936 -6.744 5.399 460 HG SER 61 HG SER 61 3.563 -5.282 6.979 461 H GLY 62 H GLY 62 4.242 -7.028 9.450 462 HA2 GLY 62 HA2 GLY 62 5.710 -7.579 11.338 463 HA3 GLY 62 HA3 GLY 62 7.067 -7.362 10.243 464 H LEU 63 H LEU 63 4.953 -5.021 9.397 465 HA LEU 63 HA LEU 63 6.441 -2.991 10.806 466 HB2 LEU 63 HB2 LEU 63 4.160 -2.851 8.833 467 HB3 LEU 63 HB3 LEU 63 4.917 -1.435 9.533 468 HG LEU 63 HG LEU 63 6.386 -3.483 7.863 469 HD11 LEU 63 HD11 LEU 63 6.309 -1.848 6.073 470 HD12 LEU 63 HD12 LEU 63 5.340 -0.769 7.076 471 HD13 LEU 63 HD13 LEU 63 4.677 -2.318 6.552 472 HD21 LEU 63 HD21 LEU 63 8.115 -1.750 7.766 473 HD22 LEU 63 HD22 LEU 63 7.812 -2.282 9.419 474 HD23 LEU 63 HD23 LEU 63 7.162 -0.743 8.857 475 HA PRO 64 HA PRO 64 3.461 -2.521 14.074 476 HB2 PRO 64 HB2 PRO 64 4.687 -0.029 14.828 477 HB3 PRO 64 HB3 PRO 64 4.883 -1.617 15.574 478 HG2 PRO 64 HG2 PRO 64 6.877 -0.300 14.226 479 HG3 PRO 64 HG3 PRO 64 6.804 -2.060 14.418 480 HD2 PRO 64 HD2 PRO 64 5.989 -0.372 12.076 481 HD3 PRO 64 HD3 PRO 64 6.864 -1.921 12.099 482 H GLN 65 H GLN 65 2.023 -0.847 15.029 483 HA GLN 65 HA GLN 65 0.172 0.035 13.217 484 HB2 GLN 65 HB2 GLN 65 0.715 0.916 16.038 485 HB3 GLN 65 HB3 GLN 65 -0.625 1.575 15.114 486 HG2 GLN 65 HG2 GLN 65 -1.443 -0.189 16.495 487 HG3 GLN 65 HG3 GLN 65 -1.496 -0.721 14.817 488 HE21 GLN 65 HE21 GLN 65 -1.518 -2.873 15.391 489 HE22 GLN 65 HE22 GLN 65 -0.123 -3.688 16.004 490 HA PRO 66 HA PRO 66 1.893 4.648 13.595 491 HB2 PRO 66 HB2 PRO 66 4.773 3.986 13.931 492 HB3 PRO 66 HB3 PRO 66 3.835 5.321 14.612 493 HG2 PRO 66 HG2 PRO 66 4.541 3.267 16.138 494 HG3 PRO 66 HG3 PRO 66 2.934 4.002 16.300 495 HD2 PRO 66 HD2 PRO 66 3.727 1.452 14.951 496 HD3 PRO 66 HD3 PRO 66 2.295 1.809 15.939 497 H VAL 67 H VAL 67 3.341 1.904 12.071 498 HA VAL 67 HA VAL 67 4.217 3.511 9.779 499 HB VAL 67 HB VAL 67 4.566 0.544 10.251 500 HG11 VAL 67 HG11 VAL 67 4.629 1.192 7.897 501 HG12 VAL 67 HG12 VAL 67 6.216 0.672 8.462 502 HG13 VAL 67 HG13 VAL 67 5.873 2.390 8.257 503 HG21 VAL 67 HG21 VAL 67 5.758 1.828 11.944 504 HG22 VAL 67 HG22 VAL 67 6.520 2.803 10.686 505 HG23 VAL 67 HG23 VAL 67 6.891 1.084 10.815 506 H LEU 68 H LEU 68 1.914 1.061 10.746 507 HA LEU 68 HA LEU 68 0.961 0.306 8.210 508 HB2 LEU 68 HB2 LEU 68 -0.682 0.428 10.735 509 HB3 LEU 68 HB3 LEU 68 -0.929 -0.621 9.357 510 HG LEU 68 HG LEU 68 1.289 -0.781 11.389 511 HD11 LEU 68 HD11 LEU 68 0.327 -2.957 11.890 512 HD12 LEU 68 HD12 LEU 68 -0.930 -2.689 10.684 513 HD13 LEU 68 HD13 LEU 68 -0.858 -1.671 12.121 514 HD21 LEU 68 HD21 LEU 68 0.886 -2.425 8.897 515 HD22 LEU 68 HD22 LEU 68 2.076 -2.741 10.158 516 HD23 LEU 68 HD23 LEU 68 2.190 -1.273 9.187 517 H ALA 69 H ALA 69 -0.442 2.556 10.565 518 HA ALA 69 HA ALA 69 -2.494 3.503 8.899 519 HB1 ALA 69 HB1 ALA 69 -1.156 4.933 11.193 520 HB2 ALA 69 HB2 ALA 69 -2.481 3.779 11.343 521 HB3 ALA 69 HB3 ALA 69 -2.736 5.308 10.504 522 H GLN 70 H GLN 70 0.851 4.409 9.259 523 HA GLN 70 HA GLN 70 0.758 6.877 7.922 524 HB2 GLN 70 HB2 GLN 70 2.582 5.987 9.413 525 HB3 GLN 70 HB3 GLN 70 3.078 4.952 8.083 526 HG2 GLN 70 HG2 GLN 70 2.833 7.775 7.385 527 HG3 GLN 70 HG3 GLN 70 4.047 7.420 8.610 528 HE21 GLN 70 HE21 GLN 70 3.096 6.979 5.310 529 HE22 GLN 70 HE22 GLN 70 4.609 6.357 4.752 530 H ILE 71 H ILE 71 1.289 3.548 6.788 531 HA ILE 71 HA ILE 71 1.756 4.290 4.069 532 HB ILE 71 HB ILE 71 0.980 1.685 5.372 533 HG12 ILE 71 HG12 ILE 71 3.461 2.480 3.844 534 HG13 ILE 71 HG13 ILE 71 3.315 2.587 5.590 535 HG21 ILE 71 HG21 ILE 71 1.267 0.576 3.211 536 HG22 ILE 71 HG22 ILE 71 1.467 2.144 2.431 537 HG23 ILE 71 HG23 ILE 71 -0.077 1.717 3.168 538 HD11 ILE 71 HD11 ILE 71 2.978 0.169 5.703 539 HD12 ILE 71 HD12 ILE 71 4.509 0.586 4.931 540 HD13 ILE 71 HD13 ILE 71 3.137 0.075 3.949 541 H TRP 72 H TRP 72 -1.087 3.244 5.879 542 HA TRP 72 HA TRP 72 -2.890 3.176 3.731 543 HB2 TRP 72 HB2 TRP 72 -3.396 2.117 5.858 544 HB3 TRP 72 HB3 TRP 72 -3.376 3.676 6.674 545 HD1 TRP 72 HD1 TRP 72 -5.240 2.962 3.362 546 HE1 TRP 72 HE1 TRP 72 -7.751 3.361 3.761 547 HE3 TRP 72 HE3 TRP 72 -5.132 3.820 8.401 548 HZ2 TRP 72 HZ2 TRP 72 -9.461 3.944 5.934 549 HZ3 TRP 72 HZ3 TRP 72 -7.247 4.283 9.566 550 HH2 TRP 72 HH2 TRP 72 -9.368 4.339 8.355 551 H ALA 73 H ALA 73 -2.197 5.778 6.083 552 HA ALA 73 HA ALA 73 -4.068 7.618 5.049 553 HB1 ALA 73 HB1 ALA 73 -1.515 8.193 6.551 554 HB2 ALA 73 HB2 ALA 73 -3.081 7.836 7.279 555 HB3 ALA 73 HB3 ALA 73 -2.868 9.306 6.330 556 H LEU 74 H LEU 74 -0.845 6.779 4.075 557 HA LEU 74 HA LEU 74 -0.366 9.067 2.447 558 HB2 LEU 74 HB2 LEU 74 1.094 6.858 3.355 559 HB3 LEU 74 HB3 LEU 74 1.047 6.679 1.612 560 HG LEU 74 HG LEU 74 2.036 9.116 3.083 561 HD11 LEU 74 HD11 LEU 74 4.246 8.411 2.306 562 HD12 LEU 74 HD12 LEU 74 3.537 6.941 1.634 563 HD13 LEU 74 HD13 LEU 74 3.519 7.214 3.377 564 HD21 LEU 74 HD21 LEU 74 2.836 9.835 0.886 565 HD22 LEU 74 HD22 LEU 74 1.081 9.657 0.907 566 HD23 LEU 74 HD23 LEU 74 2.083 8.420 0.150 567 H ALA 75 H ALA 75 -1.485 5.763 1.819 568 HA ALA 75 HA ALA 75 -1.499 6.194 -1.034 569 HB1 ALA 75 HB1 ALA 75 -2.424 3.815 0.574 570 HB2 ALA 75 HB2 ALA 75 -0.804 4.052 -0.085 571 HB3 ALA 75 HB3 ALA 75 -2.180 3.864 -1.171 572 H ASP 76 H ASP 76 -3.860 6.150 1.549 573 HA ASP 76 HA ASP 76 -6.121 5.935 -0.215 574 HB2 ASP 76 HB2 ASP 76 -6.035 5.216 2.242 575 HB3 ASP 76 HB3 ASP 76 -6.154 6.925 2.641 576 H MET 77 H MET 77 -5.783 7.592 -1.713 577 HA MET 77 HA MET 77 -5.024 10.182 -1.298 578 HB2 MET 77 HB2 MET 77 -6.312 8.669 -3.416 579 HB3 MET 77 HB3 MET 77 -6.795 10.360 -3.419 580 HG2 MET 77 HG2 MET 77 -4.917 10.075 -4.855 581 HG3 MET 77 HG3 MET 77 -4.418 10.998 -3.446 582 HE1 MET 77 HE1 MET 77 -3.242 6.643 -4.381 583 HE2 MET 77 HE2 MET 77 -4.082 7.729 -5.491 584 HE3 MET 77 HE3 MET 77 -4.914 7.102 -4.067 585 H ASN 78 H ASN 78 -8.416 9.062 -1.503 586 HA ASN 78 HA ASN 78 -9.288 11.726 -0.684 587 HB2 ASN 78 HB2 ASN 78 -11.525 11.014 -1.233 588 HB3 ASN 78 HB3 ASN 78 -10.455 10.542 -2.544 589 HD21 ASN 78 HD21 ASN 78 -13.080 9.531 -1.621 590 HD22 ASN 78 HD22 ASN 78 -12.855 7.823 -1.419 591 H ASN 79 H ASN 79 -8.323 8.968 0.766 592 HA ASN 79 HA ASN 79 -8.645 7.893 2.713 593 HB2 ASN 79 HB2 ASN 79 -7.983 10.167 3.551 594 HB3 ASN 79 HB3 ASN 79 -9.696 10.519 3.761 595 HD21 ASN 79 HD21 ASN 79 -8.206 7.380 4.319 596 HD22 ASN 79 HD22 ASN 79 -8.449 7.374 6.032 597 H ASP 80 H ASP 80 -10.253 6.750 1.525 598 HA ASP 80 HA ASP 80 -13.034 7.381 1.868 599 HB2 ASP 80 HB2 ASP 80 -12.480 6.327 -0.171 600 HB3 ASP 80 HB3 ASP 80 -11.486 5.115 0.625 601 H GLY 81 H GLY 81 -10.614 5.512 3.472 602 HA2 GLY 81 HA2 GLY 81 -10.867 4.775 5.723 603 HA3 GLY 81 HA3 GLY 81 -12.607 4.703 5.469 604 H ARG 82 H ARG 82 -12.144 3.387 2.840 605 HA ARG 82 HA ARG 82 -11.417 0.704 3.824 606 HB2 ARG 82 HB2 ARG 82 -13.312 1.554 1.634 607 HB3 ARG 82 HB3 ARG 82 -12.708 -0.087 1.765 608 HG2 ARG 82 HG2 ARG 82 -14.858 -0.057 2.746 609 HG3 ARG 82 HG3 ARG 82 -13.697 -0.172 4.067 610 HD2 ARG 82 HD2 ARG 82 -15.562 1.409 4.501 611 HD3 ARG 82 HD3 ARG 82 -13.967 2.155 4.585 612 HE ARG 82 HE ARG 82 -14.444 2.936 2.232 613 HH11 ARG 82 HH11 ARG 82 -17.024 2.312 4.521 614 HH12 ARG 82 HH12 ARG 82 -18.119 3.453 3.800 615 HH21 ARG 82 HH21 ARG 82 -15.849 4.454 1.299 616 HH22 ARG 82 HH22 ARG 82 -17.439 4.691 1.975 617 H MET 83 H MET 83 -10.925 3.162 1.484 618 HA MET 83 HA MET 83 -9.288 3.615 -0.002 619 HB2 MET 83 HB2 MET 83 -7.685 2.904 1.664 620 HB3 MET 83 HB3 MET 83 -7.946 1.216 1.254 621 HG2 MET 83 HG2 MET 83 -6.914 1.516 -0.884 622 HG3 MET 83 HG3 MET 83 -6.808 3.258 -0.638 623 HE1 MET 83 HE1 MET 83 -6.186 0.651 2.207 624 HE2 MET 83 HE2 MET 83 -4.471 0.288 2.018 625 HE3 MET 83 HE3 MET 83 -5.625 -0.239 0.792 626 H ASP 84 H ASP 84 -10.013 3.399 -1.995 627 HA ASP 84 HA ASP 84 -11.084 0.977 -3.008 628 HB2 ASP 84 HB2 ASP 84 -11.848 3.187 -3.786 629 HB3 ASP 84 HB3 ASP 84 -10.279 3.467 -4.529 630 H GLN 85 H GLN 85 -10.325 -0.037 -5.039 631 HA GLN 85 HA GLN 85 -7.873 -1.250 -4.488 632 HB2 GLN 85 HB2 GLN 85 -9.143 -1.352 -7.203 633 HB3 GLN 85 HB3 GLN 85 -8.299 -2.626 -6.329 634 HG2 GLN 85 HG2 GLN 85 -11.077 -1.584 -5.914 635 HG3 GLN 85 HG3 GLN 85 -10.553 -3.235 -6.240 636 HE21 GLN 85 HE21 GLN 85 -12.213 -2.077 -4.071 637 HE22 GLN 85 HE22 GLN 85 -11.438 -2.561 -2.603 638 H VAL 86 H VAL 86 -8.620 1.472 -6.563 639 HA VAL 86 HA VAL 86 -6.136 1.429 -7.967 640 HB VAL 86 HB VAL 86 -7.984 3.772 -7.476 641 HG11 VAL 86 HG11 VAL 86 -5.759 4.519 -8.104 642 HG12 VAL 86 HG12 VAL 86 -6.876 4.756 -9.449 643 HG13 VAL 86 HG13 VAL 86 -5.746 3.404 -9.470 644 HG21 VAL 86 HG21 VAL 86 -8.827 3.294 -9.729 645 HG22 VAL 86 HG22 VAL 86 -9.099 1.940 -8.632 646 HG23 VAL 86 HG23 VAL 86 -7.788 1.871 -9.810 647 H GLU 87 H GLU 87 -7.322 3.311 -5.193 648 HA GLU 87 HA GLU 87 -4.885 4.561 -4.555 649 HB2 GLU 87 HB2 GLU 87 -7.301 3.845 -2.895 650 HB3 GLU 87 HB3 GLU 87 -5.921 4.693 -2.214 651 HG2 GLU 87 HG2 GLU 87 -7.738 6.208 -2.821 652 HG3 GLU 87 HG3 GLU 87 -6.265 6.544 -3.724 653 H PHE 88 H PHE 88 -6.312 1.510 -3.510 654 HA PHE 88 HA PHE 88 -4.337 0.703 -1.698 655 HB2 PHE 88 HB2 PHE 88 -6.499 -0.409 -1.874 656 HB3 PHE 88 HB3 PHE 88 -6.120 -0.946 -3.505 657 HD1 PHE 88 HD1 PHE 88 -4.754 -1.185 -0.039 658 HD2 PHE 88 HD2 PHE 88 -5.374 -3.088 -3.793 659 HE1 PHE 88 HE1 PHE 88 -3.827 -3.275 0.869 660 HE2 PHE 88 HE2 PHE 88 -4.450 -5.179 -2.889 661 HZ PHE 88 HZ PHE 88 -3.676 -5.274 -0.558 662 H SER 89 H SER 89 -4.375 0.708 -5.177 663 HA SER 89 HA SER 89 -2.434 -1.249 -5.670 664 HB2 SER 89 HB2 SER 89 -3.257 1.176 -7.266 665 HB3 SER 89 HB3 SER 89 -2.123 -0.035 -7.862 666 HG SER 89 HG SER 89 -4.804 -0.520 -7.033 667 H ILE 90 H ILE 90 -2.111 2.132 -4.764 668 HA ILE 90 HA ILE 90 0.663 2.244 -5.568 669 HB ILE 90 HB ILE 90 -0.900 4.207 -5.718 670 HG12 ILE 90 HG12 ILE 90 1.581 4.665 -4.053 671 HG13 ILE 90 HG13 ILE 90 1.565 4.442 -5.801 672 HG21 ILE 90 HG21 ILE 90 -2.034 3.966 -3.590 673 HG22 ILE 90 HG22 ILE 90 -1.269 5.550 -3.706 674 HG23 ILE 90 HG23 ILE 90 -0.528 4.283 -2.730 675 HD11 ILE 90 HD11 ILE 90 0.236 6.688 -4.300 676 HD12 ILE 90 HD12 ILE 90 0.231 6.464 -6.050 677 HD13 ILE 90 HD13 ILE 90 1.746 6.788 -5.207 678 H ALA 91 H ALA 91 -1.091 1.388 -2.748 679 HA ALA 91 HA ALA 91 1.016 1.925 -0.864 680 HB1 ALA 91 HB1 ALA 91 -0.402 0.762 0.740 681 HB2 ALA 91 HB2 ALA 91 -1.460 0.229 -0.567 682 HB3 ALA 91 HB3 ALA 91 -1.331 1.946 -0.180 683 H MET 92 H MET 92 0.377 -0.505 -3.116 684 HA MET 92 HA MET 92 1.146 -2.834 -1.792 685 HB2 MET 92 HB2 MET 92 1.361 -2.108 -4.712 686 HB3 MET 92 HB3 MET 92 1.611 -3.728 -4.079 687 HG2 MET 92 HG2 MET 92 -0.938 -2.248 -3.560 688 HG3 MET 92 HG3 MET 92 -0.677 -3.109 -5.073 689 HE1 MET 92 HE1 MET 92 0.436 -4.057 -1.360 690 HE2 MET 92 HE2 MET 92 -0.894 -5.124 -0.910 691 HE3 MET 92 HE3 MET 92 -1.196 -3.411 -1.194 692 H LYS 93 H LYS 93 3.142 -0.484 -3.555 693 HA LYS 93 HA LYS 93 5.508 -2.080 -3.205 694 HB2 LYS 93 HB2 LYS 93 6.715 -0.156 -4.161 695 HB3 LYS 93 HB3 LYS 93 5.353 -0.646 -5.158 696 HG2 LYS 93 HG2 LYS 93 4.090 1.227 -4.551 697 HG3 LYS 93 HG3 LYS 93 5.123 1.582 -3.168 698 HD2 LYS 93 HD2 LYS 93 5.538 3.167 -4.963 699 HD3 LYS 93 HD3 LYS 93 6.956 2.159 -4.694 700 HE2 LYS 93 HE2 LYS 93 5.007 1.264 -6.747 701 HE3 LYS 93 HE3 LYS 93 5.998 2.670 -7.126 702 HZ1 LYS 93 HZ1 LYS 93 6.922 -0.080 -6.475 703 HZ2 LYS 93 HZ2 LYS 93 7.960 1.261 -6.506 704 HZ3 LYS 93 HZ3 LYS 93 7.148 0.791 -7.911 705 H LEU 94 H LEU 94 3.917 0.495 -1.476 706 HA LEU 94 HA LEU 94 6.094 1.599 -0.120 707 HB2 LEU 94 HB2 LEU 94 3.218 1.755 0.056 708 HB3 LEU 94 HB3 LEU 94 3.941 1.745 1.650 709 HG LEU 94 HG LEU 94 5.394 3.617 0.970 710 HD11 LEU 94 HD11 LEU 94 3.668 3.643 -1.505 711 HD12 LEU 94 HD12 LEU 94 5.384 3.242 -1.438 712 HD13 LEU 94 HD13 LEU 94 4.846 4.878 -1.055 713 HD21 LEU 94 HD21 LEU 94 2.434 4.114 0.672 714 HD22 LEU 94 HD22 LEU 94 3.652 5.320 1.084 715 HD23 LEU 94 HD23 LEU 94 3.313 3.995 2.196 716 H ILE 95 H ILE 95 3.981 -1.067 0.785 717 HA ILE 95 HA ILE 95 4.813 -1.363 3.422 718 HB ILE 95 HB ILE 95 3.950 -3.603 1.586 719 HG12 ILE 95 HG12 ILE 95 2.201 -1.816 3.286 720 HG13 ILE 95 HG13 ILE 95 2.422 -1.612 1.551 721 HG21 ILE 95 HG21 ILE 95 4.854 -4.329 3.738 722 HG22 ILE 95 HG22 ILE 95 3.121 -4.642 3.631 723 HG23 ILE 95 HG23 ILE 95 3.714 -3.274 4.574 724 HD11 ILE 95 HD11 ILE 95 1.283 -4.057 2.885 725 HD12 ILE 95 HD12 ILE 95 1.448 -3.790 1.148 726 HD13 ILE 95 HD13 ILE 95 0.351 -2.785 2.096 727 H LYS 96 H LYS 96 5.904 -3.113 0.534 728 HA LYS 96 HA LYS 96 7.966 -4.501 1.909 729 HB2 LYS 96 HB2 LYS 96 6.854 -4.435 -0.756 730 HB3 LYS 96 HB3 LYS 96 8.610 -4.470 -0.816 731 HG2 LYS 96 HG2 LYS 96 6.897 -6.420 0.712 732 HG3 LYS 96 HG3 LYS 96 7.604 -6.713 -0.878 733 HD2 LYS 96 HD2 LYS 96 9.842 -6.459 0.051 734 HD3 LYS 96 HD3 LYS 96 9.159 -6.101 1.636 735 HE2 LYS 96 HE2 LYS 96 8.208 -8.326 1.763 736 HE3 LYS 96 HE3 LYS 96 8.775 -8.687 0.134 737 HZ1 LYS 96 HZ1 LYS 96 10.543 -8.046 2.437 738 HZ2 LYS 96 HZ2 LYS 96 11.037 -8.517 0.883 739 HZ3 LYS 96 HZ3 LYS 96 10.213 -9.610 1.879 740 H LEU 97 H LEU 97 7.758 -1.408 0.315 741 HA LEU 97 HA LEU 97 10.568 -1.141 -0.153 742 HB2 LEU 97 HB2 LEU 97 8.601 0.057 -1.320 743 HB3 LEU 97 HB3 LEU 97 8.640 1.149 0.049 744 HG LEU 97 HG LEU 97 10.942 1.773 -0.488 745 HD11 LEU 97 HD11 LEU 97 10.615 -0.092 -2.834 746 HD12 LEU 97 HD12 LEU 97 11.689 -0.332 -1.455 747 HD13 LEU 97 HD13 LEU 97 11.971 1.005 -2.571 748 HD21 LEU 97 HD21 LEU 97 9.094 3.031 -1.480 749 HD22 LEU 97 HD22 LEU 97 9.098 1.940 -2.866 750 HD23 LEU 97 HD23 LEU 97 10.491 2.977 -2.555 751 H LYS 98 H LYS 98 8.332 -0.141 2.397 752 HA LYS 98 HA LYS 98 10.304 1.341 3.843 753 HB2 LYS 98 HB2 LYS 98 7.674 0.158 4.740 754 HB3 LYS 98 HB3 LYS 98 8.697 1.161 5.759 755 HG2 LYS 98 HG2 LYS 98 8.506 2.945 3.986 756 HG3 LYS 98 HG3 LYS 98 7.261 1.945 3.240 757 HD2 LYS 98 HD2 LYS 98 5.999 3.368 4.547 758 HD3 LYS 98 HD3 LYS 98 6.193 1.979 5.616 759 HE2 LYS 98 HE2 LYS 98 8.003 4.389 5.682 760 HE3 LYS 98 HE3 LYS 98 6.550 4.246 6.665 761 HZ1 LYS 98 HZ1 LYS 98 7.533 2.177 7.590 762 HZ2 LYS 98 HZ2 LYS 98 8.382 3.583 7.983 763 HZ3 LYS 98 HZ3 LYS 98 8.977 2.539 6.786 764 H LEU 99 H LEU 99 9.245 -2.001 3.828 765 HA LEU 99 HA LEU 99 10.701 -2.877 6.081 766 HB2 LEU 99 HB2 LEU 99 9.844 -4.314 3.573 767 HB3 LEU 99 HB3 LEU 99 10.611 -5.121 4.925 768 HG LEU 99 HG LEU 99 7.975 -3.655 5.055 769 HD11 LEU 99 HD11 LEU 99 8.587 -6.604 4.940 770 HD12 LEU 99 HD12 LEU 99 7.789 -5.650 3.691 771 HD13 LEU 99 HD13 LEU 99 7.000 -5.901 5.248 772 HD21 LEU 99 HD21 LEU 99 7.768 -4.699 7.246 773 HD22 LEU 99 HD22 LEU 99 9.197 -3.668 7.175 774 HD23 LEU 99 HD23 LEU 99 9.366 -5.420 7.066 775 H GLN 100 H GLN 100 11.605 -2.187 2.788 776 HA GLN 100 HA GLN 100 14.187 -3.437 2.956 777 HB2 GLN 100 HB2 GLN 100 13.005 -1.530 0.934 778 HB3 GLN 100 HB3 GLN 100 14.603 -2.246 0.788 779 HG2 GLN 100 HG2 GLN 100 13.600 -4.473 0.752 780 HG3 GLN 100 HG3 GLN 100 12.000 -3.748 0.896 781 HE21 GLN 100 HE21 GLN 100 11.307 -4.608 -1.038 782 HE22 GLN 100 HE22 GLN 100 11.858 -4.021 -2.566 783 H GLY 101 H GLY 101 12.868 -0.380 3.839 784 HA2 GLY 101 HA2 GLY 101 14.402 0.679 5.541 785 HA3 GLY 101 HA3 GLY 101 15.612 0.624 4.273 786 H TYR 102 H TYR 102 13.051 1.292 2.497 787 HA TYR 102 HA TYR 102 13.692 4.104 2.443 788 HB2 TYR 102 HB2 TYR 102 11.744 2.501 0.786 789 HB3 TYR 102 HB3 TYR 102 12.155 4.188 0.510 790 HD1 TYR 102 HD1 TYR 102 13.336 0.728 0.261 791 HD2 TYR 102 HD2 TYR 102 14.303 4.816 -0.413 792 HE1 TYR 102 HE1 TYR 102 15.250 0.041 -1.120 793 HE2 TYR 102 HE2 TYR 102 16.216 4.141 -1.803 794 HH TYR 102 HH TYR 102 17.717 2.115 -1.992 795 H GLN 103 H GLN 103 12.017 5.771 2.454 796 HA GLN 103 HA GLN 103 9.510 5.365 3.698 797 HB2 GLN 103 HB2 GLN 103 10.854 4.693 5.609 798 HB3 GLN 103 HB3 GLN 103 11.795 6.170 5.503 799 HG2 GLN 103 HG2 GLN 103 10.034 7.487 6.292 800 HG3 GLN 103 HG3 GLN 103 8.845 6.213 6.009 801 HE21 GLN 103 HE21 GLN 103 9.585 7.727 8.448 802 HE22 GLN 103 HE22 GLN 103 9.954 6.514 9.629 803 H LEU 104 H LEU 104 8.303 7.162 3.476 804 HA LEU 104 HA LEU 104 9.596 9.779 3.281 805 HB2 LEU 104 HB2 LEU 104 7.752 8.560 1.228 806 HB3 LEU 104 HB3 LEU 104 7.989 10.290 1.357 807 HG LEU 104 HG LEU 104 10.120 8.253 0.696 808 HD11 LEU 104 HD11 LEU 104 8.805 10.383 -0.988 809 HD12 LEU 104 HD12 LEU 104 8.525 8.646 -1.119 810 HD13 LEU 104 HD13 LEU 104 10.113 9.315 -1.500 811 HD21 LEU 104 HD21 LEU 104 11.550 10.203 0.293 812 HD22 LEU 104 HD22 LEU 104 11.043 10.104 1.979 813 HD23 LEU 104 HD23 LEU 104 10.272 11.258 0.891 814 HA PRO 105 HA PRO 105 6.054 11.163 5.614 815 HB2 PRO 105 HB2 PRO 105 5.864 13.574 3.945 816 HB3 PRO 105 HB3 PRO 105 6.263 13.428 5.659 817 HG2 PRO 105 HG2 PRO 105 8.110 14.107 3.829 818 HG3 PRO 105 HG3 PRO 105 8.513 13.115 5.241 819 HD2 PRO 105 HD2 PRO 105 8.017 12.267 2.412 820 HD3 PRO 105 HD3 PRO 105 9.269 11.719 3.546 821 H SER 106 H SER 106 3.892 12.648 4.957 822 HA SER 106 HA SER 106 2.312 10.736 3.537 823 HB2 SER 106 HB2 SER 106 1.550 13.466 4.589 824 HB3 SER 106 HB3 SER 106 0.435 12.192 4.098 825 HG SER 106 HG SER 106 2.243 12.198 6.287 826 H ALA 107 H ALA 107 4.255 13.158 2.464 827 HA ALA 107 HA ALA 107 2.585 13.783 0.148 828 HB1 ALA 107 HB1 ALA 107 5.207 14.996 1.023 829 HB2 ALA 107 HB2 ALA 107 3.605 15.693 1.265 830 HB3 ALA 107 HB3 ALA 107 4.246 15.505 -0.366 831 H LEU 108 H LEU 108 2.711 12.032 -1.177 832 HA LEU 108 HA LEU 108 5.268 10.770 -1.670 833 HB2 LEU 108 HB2 LEU 108 3.896 9.347 -3.282 834 HB3 LEU 108 HB3 LEU 108 3.559 9.193 -1.574 835 HG LEU 108 HG LEU 108 1.585 10.751 -1.948 836 HD11 LEU 108 HD11 LEU 108 0.708 10.846 -4.245 837 HD12 LEU 108 HD12 LEU 108 2.202 10.113 -4.830 838 HD13 LEU 108 HD13 LEU 108 2.238 11.709 -4.080 839 HD21 LEU 108 HD21 LEU 108 0.174 8.954 -2.786 840 HD22 LEU 108 HD22 LEU 108 1.361 8.347 -1.631 841 HD23 LEU 108 HD23 LEU 108 1.602 8.093 -3.360 842 HA PRO 109 HA PRO 109 6.511 13.059 -5.189 843 HB2 PRO 109 HB2 PRO 109 7.536 11.074 -6.793 844 HB3 PRO 109 HB3 PRO 109 8.384 11.774 -5.411 845 HG2 PRO 109 HG2 PRO 109 6.837 9.223 -5.592 846 HG3 PRO 109 HG3 PRO 109 8.364 9.552 -4.754 847 HD2 PRO 109 HD2 PRO 109 6.017 9.396 -3.444 848 HD3 PRO 109 HD3 PRO 109 7.305 10.507 -2.938 849 HA PRO 110 HA PRO 110 3.303 13.077 -8.223 850 HB2 PRO 110 HB2 PRO 110 5.380 13.887 -10.176 851 HB3 PRO 110 HB3 PRO 110 3.900 14.720 -9.698 852 HG2 PRO 110 HG2 PRO 110 6.280 15.594 -8.885 853 HG3 PRO 110 HG3 PRO 110 4.871 15.643 -7.809 854 HD2 PRO 110 HD2 PRO 110 7.161 13.711 -7.851 855 HD3 PRO 110 HD3 PRO 110 6.330 14.446 -6.462 856 H VAL 111 H VAL 111 6.265 11.356 -8.799 857 HA VAL 111 HA VAL 111 5.538 10.050 -11.203 858 HB VAL 111 HB VAL 111 7.424 8.984 -9.099 859 HG11 VAL 111 HG11 VAL 111 6.886 7.414 -10.877 860 HG12 VAL 111 HG12 VAL 111 8.559 7.952 -11.009 861 HG13 VAL 111 HG13 VAL 111 7.333 8.614 -12.090 862 HG21 VAL 111 HG21 VAL 111 8.021 10.954 -11.306 863 HG22 VAL 111 HG22 VAL 111 9.208 10.213 -10.233 864 HG23 VAL 111 HG23 VAL 111 7.992 11.309 -9.579 865 H MET 112 H MET 112 4.782 9.514 -7.869 866 HA MET 112 HA MET 112 4.059 6.768 -8.087 867 HB2 MET 112 HB2 MET 112 3.687 8.905 -6.026 868 HB3 MET 112 HB3 MET 112 2.773 7.409 -5.890 869 HG2 MET 112 HG2 MET 112 5.695 7.196 -6.323 870 HG3 MET 112 HG3 MET 112 5.134 7.744 -4.745 871 HE1 MET 112 HE1 MET 112 3.212 5.303 -7.129 872 HE2 MET 112 HE2 MET 112 3.752 3.722 -6.564 873 HE3 MET 112 HE3 MET 112 4.875 4.785 -7.411 874 H LYS 113 H LYS 113 2.173 9.776 -7.975 875 HA LYS 113 HA LYS 113 -0.315 8.404 -8.399 876 HB2 LYS 113 HB2 LYS 113 -1.237 10.716 -8.621 877 HB3 LYS 113 HB3 LYS 113 -0.364 10.433 -7.123 878 HG2 LYS 113 HG2 LYS 113 1.555 11.616 -7.952 879 HG3 LYS 113 HG3 LYS 113 0.812 11.779 -9.542 880 HD2 LYS 113 HD2 LYS 113 0.671 13.849 -8.222 881 HD3 LYS 113 HD3 LYS 113 -0.919 13.205 -8.621 882 HE2 LYS 113 HE2 LYS 113 0.261 12.348 -6.047 883 HE3 LYS 113 HE3 LYS 113 -0.245 14.033 -6.164 884 HZ1 LYS 113 HZ1 LYS 113 -2.453 13.364 -6.681 885 HZ2 LYS 113 HZ2 LYS 113 -1.971 12.479 -5.314 886 HZ3 LYS 113 HZ3 LYS 113 -2.009 11.734 -6.835 887 H GLN 114 H GLN 114 2.172 9.663 -10.353 888 HA GLN 114 HA GLN 114 2.501 9.931 -12.572 889 HB2 GLN 114 HB2 GLN 114 0.005 8.251 -12.883 890 HB3 GLN 114 HB3 GLN 114 1.189 8.592 -14.134 891 HG2 GLN 114 HG2 GLN 114 2.884 7.375 -12.857 892 HG3 GLN 114 HG3 GLN 114 1.678 7.016 -11.621 893 HE21 GLN 114 HE21 GLN 114 2.790 6.327 -14.824 894 HE22 GLN 114 HE22 GLN 114 1.808 4.929 -15.095 895 H GLN 115 H GLN 115 0.839 10.366 -14.702 896 HA GLN 115 HA GLN 115 -1.189 12.282 -13.851 897 HB2 GLN 115 HB2 GLN 115 0.936 13.537 -14.252 898 HB3 GLN 115 HB3 GLN 115 0.916 12.964 -15.913 899 HG2 GLN 115 HG2 GLN 115 -1.121 14.160 -16.355 900 HG3 GLN 115 HG3 GLN 115 -1.252 14.630 -14.660 901 HE21 GLN 115 HE21 GLN 115 0.132 16.191 -13.833 902 HE22 GLN 115 HE22 GLN 115 1.039 17.257 -14.862 903 HA PRO 116 HA PRO 116 -2.516 9.707 -17.419 904 HB2 PRO 116 HB2 PRO 116 -4.436 8.299 -15.956 905 HB3 PRO 116 HB3 PRO 116 -2.819 7.722 -16.359 906 HG2 PRO 116 HG2 PRO 116 -3.817 8.332 -13.784 907 HG3 PRO 116 HG3 PRO 116 -2.144 7.952 -14.220 908 HD2 PRO 116 HD2 PRO 116 -3.429 10.592 -13.760 909 HD3 PRO 116 HD3 PRO 116 -1.746 10.090 -13.488 910 H VAL 117 H VAL 117 -3.353 11.822 -18.026 911 HA VAL 117 HA VAL 117 -5.938 12.605 -17.024 912 HB VAL 117 HB VAL 117 -4.456 14.379 -17.543 913 HG11 VAL 117 HG11 VAL 117 -3.007 13.296 -19.145 914 HG12 VAL 117 HG12 VAL 117 -3.607 14.815 -19.812 915 HG13 VAL 117 HG13 VAL 117 -4.303 13.283 -20.342 916 HG21 VAL 117 HG21 VAL 117 -6.638 14.248 -19.605 917 HG22 VAL 117 HG22 VAL 117 -5.756 15.709 -19.156 918 HG23 VAL 117 HG23 VAL 117 -6.764 14.886 -17.965 919 H ALA 118 H ALA 118 -7.822 12.538 -18.012 920 HA ALA 118 HA ALA 118 -8.002 11.077 -20.573 921 HB1 ALA 118 HB1 ALA 118 -10.055 10.006 -19.772 922 HB2 ALA 118 HB2 ALA 118 -9.851 10.786 -18.202 923 HB3 ALA 118 HB3 ALA 118 -8.676 9.593 -18.755 924 H ILE 119 H ILE 119 -9.592 13.270 -18.310 925 HA ILE 119 HA ILE 119 -10.378 14.959 -20.542 926 HB ILE 119 HB ILE 119 -12.357 13.575 -20.195 927 HG12 ILE 119 HG12 ILE 119 -12.779 16.340 -19.046 928 HG13 ILE 119 HG13 ILE 119 -12.618 15.978 -20.761 929 HG21 ILE 119 HG21 ILE 119 -12.312 14.537 -17.338 930 HG22 ILE 119 HG22 ILE 119 -11.963 12.899 -17.889 931 HG23 ILE 119 HG23 ILE 119 -13.582 13.566 -18.086 932 HD11 ILE 119 HD11 ILE 119 -14.642 14.625 -20.663 933 HD12 ILE 119 HD12 ILE 119 -14.938 16.278 -20.125 934 HD13 ILE 119 HD13 ILE 119 -14.794 14.978 -18.941 935 H SER 120 H SER 120 -10.223 17.103 -20.031 936 HA SER 120 HA SER 120 -9.000 17.720 -17.488 937 HB2 SER 120 HB2 SER 120 -9.703 19.635 -19.720 938 HB3 SER 120 HB3 SER 120 -8.513 19.868 -18.440 939 HG SER 120 HG SER 120 -7.976 18.996 -20.773 940 H SER 121 H SER 121 -11.897 18.683 -19.282 941 HA SER 121 HA SER 121 -13.435 18.947 -16.896 942 HB2 SER 121 HB2 SER 121 -13.974 21.444 -17.525 943 HB3 SER 121 HB3 SER 121 -12.562 21.073 -16.535 944 HG SER 121 HG SER 121 -11.335 21.824 -18.051 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -24.382 -1.512 0.176 2 H2 MET 1 H2 MET 1 -23.568 -0.106 0.670 3 H3 MET 1 H3 MET 1 -24.599 -0.917 1.746 4 HA MET 1 HA MET 1 -22.097 -2.018 0.613 5 HB2 MET 1 HB2 MET 1 -21.180 -1.770 2.873 6 HB3 MET 1 HB3 MET 1 -21.644 -0.214 2.203 7 HG2 MET 1 HG2 MET 1 -23.690 -0.243 3.526 8 HG3 MET 1 HG3 MET 1 -23.250 -1.819 4.180 9 HE1 MET 1 HE1 MET 1 -22.385 1.998 4.040 10 HE2 MET 1 HE2 MET 1 -20.884 1.271 3.465 11 HE3 MET 1 HE3 MET 1 -20.928 2.082 5.030 12 H GLY 2 H GLY 2 -21.401 -3.794 2.406 13 HA2 GLY 2 HA2 GLY 2 -22.290 -5.573 3.804 14 HA3 GLY 2 HA3 GLY 2 -23.797 -5.449 2.905 15 H HIS 3 H HIS 3 -23.786 -6.101 0.652 16 HA HIS 3 HA HIS 3 -21.546 -7.878 -0.026 17 HB2 HIS 3 HB2 HIS 3 -24.438 -8.489 0.038 18 HB3 HIS 3 HB3 HIS 3 -23.555 -9.081 -1.369 19 HD1 HIS 3 HD1 HIS 3 -23.740 -9.465 2.373 20 HD2 HIS 3 HD2 HIS 3 -21.803 -11.173 -0.891 21 HE1 HIS 3 HE1 HIS 3 -22.645 -11.552 3.245 22 HE2 HIS 3 HE2 HIS 3 -21.367 -12.501 1.290 23 H HIS 4 H HIS 4 -20.489 -6.853 -1.502 24 HA HIS 4 HA HIS 4 -21.960 -5.627 -3.751 25 HB2 HIS 4 HB2 HIS 4 -20.769 -3.994 -2.308 26 HB3 HIS 4 HB3 HIS 4 -19.263 -4.855 -2.595 27 HD1 HIS 4 HD1 HIS 4 -21.204 -2.075 -3.800 28 HD2 HIS 4 HD2 HIS 4 -18.503 -4.753 -5.476 29 HE1 HIS 4 HE1 HIS 4 -20.399 -0.988 -5.919 30 HE2 HIS 4 HE2 HIS 4 -18.598 -2.526 -6.782 31 H HIS 5 H HIS 5 -21.905 -7.338 -5.198 32 HA HIS 5 HA HIS 5 -19.374 -8.746 -5.506 33 HB2 HIS 5 HB2 HIS 5 -20.555 -10.386 -6.836 34 HB3 HIS 5 HB3 HIS 5 -21.422 -10.103 -5.337 35 HD1 HIS 5 HD1 HIS 5 -23.832 -9.362 -5.513 36 HD2 HIS 5 HD2 HIS 5 -21.857 -9.363 -9.174 37 HE1 HIS 5 HE1 HIS 5 -25.619 -9.039 -7.256 38 HE2 HIS 5 HE2 HIS 5 -24.420 -9.255 -9.464 39 H HIS 6 H HIS 6 -17.992 -8.447 -7.049 40 HA HIS 6 HA HIS 6 -18.664 -7.344 -9.628 41 HB2 HIS 6 HB2 HIS 6 -18.576 -5.324 -8.123 42 HB3 HIS 6 HB3 HIS 6 -16.908 -5.729 -7.748 43 HD1 HIS 6 HD1 HIS 6 -15.327 -4.320 -9.008 44 HD2 HIS 6 HD2 HIS 6 -18.800 -5.073 -11.178 45 HE1 HIS 6 HE1 HIS 6 -15.054 -3.082 -11.185 46 HE2 HIS 6 HE2 HIS 6 -17.147 -3.591 -12.504 47 H HIS 7 H HIS 7 -17.446 -9.729 -8.460 48 HA HIS 7 HA HIS 7 -14.597 -9.392 -8.530 49 HB2 HIS 7 HB2 HIS 7 -14.427 -11.728 -7.951 50 HB3 HIS 7 HB3 HIS 7 -15.669 -10.980 -6.961 51 HD1 HIS 7 HD1 HIS 7 -17.425 -12.658 -6.552 52 HD2 HIS 7 HD2 HIS 7 -15.975 -12.904 -10.443 53 HE1 HIS 7 HE1 HIS 7 -18.743 -14.497 -7.657 54 HE2 HIS 7 HE2 HIS 7 -17.692 -14.770 -9.935 55 H HIS 8 H HIS 8 -13.134 -10.412 -9.879 56 HA HIS 8 HA HIS 8 -14.208 -11.698 -12.273 57 HB2 HIS 8 HB2 HIS 8 -12.112 -10.834 -13.478 58 HB3 HIS 8 HB3 HIS 8 -13.418 -9.693 -13.206 59 HD1 HIS 8 HD1 HIS 8 -9.925 -10.514 -12.005 60 HD2 HIS 8 HD2 HIS 8 -12.764 -7.486 -11.697 61 HE1 HIS 8 HE1 HIS 8 -8.725 -8.558 -10.982 62 HE2 HIS 8 HE2 HIS 8 -10.397 -6.668 -11.045 63 H SER 9 H SER 9 -13.913 -13.749 -11.667 64 HA SER 9 HA SER 9 -11.601 -14.535 -10.149 65 HB2 SER 9 HB2 SER 9 -12.601 -16.849 -10.412 66 HB3 SER 9 HB3 SER 9 -13.638 -15.663 -9.621 67 HG SER 9 HG SER 9 -13.776 -16.131 -12.404 68 H HIS 10 H HIS 10 -9.983 -13.889 -11.602 69 HA HIS 10 HA HIS 10 -9.448 -15.909 -13.665 70 HB2 HIS 10 HB2 HIS 10 -10.138 -13.736 -14.697 71 HB3 HIS 10 HB3 HIS 10 -8.787 -12.959 -13.880 72 HD1 HIS 10 HD1 HIS 10 -6.584 -12.987 -15.062 73 HD2 HIS 10 HD2 HIS 10 -9.308 -15.671 -16.695 74 HE1 HIS 10 HE1 HIS 10 -5.501 -13.863 -17.155 75 HE2 HIS 10 HE2 HIS 10 -7.262 -15.306 -18.234 76 H MET 11 H MET 11 -7.448 -16.762 -13.583 77 HA MET 11 HA MET 11 -5.853 -16.548 -11.329 78 HB2 MET 11 HB2 MET 11 -5.086 -17.403 -14.125 79 HB3 MET 11 HB3 MET 11 -4.083 -17.651 -12.701 80 HG2 MET 11 HG2 MET 11 -5.808 -19.038 -11.704 81 HG3 MET 11 HG3 MET 11 -6.849 -18.762 -13.099 82 HE1 MET 11 HE1 MET 11 -6.120 -21.642 -11.949 83 HE2 MET 11 HE2 MET 11 -5.848 -22.523 -13.453 84 HE3 MET 11 HE3 MET 11 -7.179 -21.372 -13.336 85 H ALA 12 H ALA 12 -4.358 -15.179 -10.648 86 HA ALA 12 HA ALA 12 -3.205 -13.275 -12.560 87 HB1 ALA 12 HB1 ALA 12 -5.053 -12.134 -11.436 88 HB2 ALA 12 HB2 ALA 12 -3.499 -11.437 -10.977 89 HB3 ALA 12 HB3 ALA 12 -4.342 -12.520 -9.869 90 H GLN 13 H GLN 13 -1.499 -14.917 -12.332 91 HA GLN 13 HA GLN 13 0.307 -14.117 -10.184 92 HB2 GLN 13 HB2 GLN 13 -0.424 -16.982 -10.801 93 HB3 GLN 13 HB3 GLN 13 0.993 -16.520 -9.868 94 HG2 GLN 13 HG2 GLN 13 -0.481 -15.399 -8.244 95 HG3 GLN 13 HG3 GLN 13 -1.876 -15.972 -9.154 96 HE21 GLN 13 HE21 GLN 13 -1.078 -16.484 -6.396 97 HE22 GLN 13 HE22 GLN 13 -0.942 -18.211 -6.251 98 H PHE 14 H PHE 14 1.724 -13.120 -11.461 99 HA PHE 14 HA PHE 14 3.136 -14.806 -13.407 100 HB2 PHE 14 HB2 PHE 14 1.831 -13.116 -14.635 101 HB3 PHE 14 HB3 PHE 14 2.585 -11.838 -13.687 102 HD1 PHE 14 HD2 PHE 14 3.524 -14.702 -15.882 103 HD2 PHE 14 HD1 PHE 14 4.404 -10.750 -14.571 104 HE1 PHE 14 HE2 PHE 14 5.363 -14.573 -17.511 105 HE2 PHE 14 HE1 PHE 14 6.245 -10.616 -16.197 106 HZ PHE 14 HZ PHE 14 6.726 -12.529 -17.668 107 HA PRO 15 HA PRO 15 5.976 -13.892 -10.016 108 HB2 PRO 15 HB2 PRO 15 7.675 -15.725 -11.602 109 HB3 PRO 15 HB3 PRO 15 7.245 -15.780 -9.891 110 HG2 PRO 15 HG2 PRO 15 6.166 -17.458 -11.652 111 HG3 PRO 15 HG3 PRO 15 5.228 -16.826 -10.292 112 HD2 PRO 15 HD2 PRO 15 5.148 -16.071 -13.179 113 HD3 PRO 15 HD3 PRO 15 3.827 -16.154 -11.995 114 H THR 16 H THR 16 6.981 -12.062 -10.078 115 HA THR 16 HA THR 16 9.152 -11.680 -11.998 116 HB THR 16 HB THR 16 7.211 -9.508 -11.256 117 HG1 THR 16 HG1 THR 16 6.351 -11.016 -12.781 118 HG21 THR 16 HG21 THR 16 9.538 -9.485 -13.173 119 HG22 THR 16 HG22 THR 16 9.480 -8.675 -11.606 120 HG23 THR 16 HG23 THR 16 8.409 -8.152 -12.908 121 HA PRO 17 HA PRO 17 10.718 -10.784 -7.809 122 HB2 PRO 17 HB2 PRO 17 12.756 -12.491 -7.870 123 HB3 PRO 17 HB3 PRO 17 11.106 -13.075 -7.605 124 HG2 PRO 17 HG2 PRO 17 12.753 -13.122 -10.103 125 HG3 PRO 17 HG3 PRO 17 11.678 -14.370 -9.447 126 HD2 PRO 17 HD2 PRO 17 10.984 -12.557 -11.443 127 HD3 PRO 17 HD3 PRO 17 9.839 -13.443 -10.428 128 H PHE 18 H PHE 18 12.989 -10.134 -7.224 129 HA PHE 18 HA PHE 18 14.778 -8.761 -7.460 130 HB2 PHE 18 HB2 PHE 18 14.902 -9.902 -10.264 131 HB3 PHE 18 HB3 PHE 18 16.193 -9.025 -9.453 132 HD1 PHE 18 HD2 PHE 18 17.168 -10.044 -7.331 133 HD2 PHE 18 HD1 PHE 18 14.702 -12.204 -10.043 134 HE1 PHE 18 HE2 PHE 18 18.028 -12.165 -6.426 135 HE2 PHE 18 HE1 PHE 18 15.560 -14.324 -9.146 136 HZ PHE 18 HZ PHE 18 17.226 -14.306 -7.333 137 H GLY 19 H GLY 19 13.617 -6.846 -7.260 138 HA2 GLY 19 HA2 GLY 19 12.262 -5.591 -9.415 139 HA3 GLY 19 HA3 GLY 19 12.726 -4.823 -7.905 140 H GLY 20 H GLY 20 14.674 -3.678 -7.786 141 HA2 GLY 20 HA2 GLY 20 16.726 -3.668 -9.653 142 HA3 GLY 20 HA3 GLY 20 15.532 -2.515 -10.234 143 H SER 21 H SER 21 17.757 -1.346 -9.816 144 HA SER 21 HA SER 21 17.605 -0.172 -7.117 145 HB2 SER 21 HB2 SER 21 20.038 -0.456 -8.902 146 HB3 SER 21 HB3 SER 21 20.017 0.281 -7.300 147 HG SER 21 HG SER 21 19.967 -2.392 -8.034 148 H LEU 22 H LEU 22 16.378 0.450 -9.837 149 HA LEU 22 HA LEU 22 16.760 3.303 -9.708 150 HB2 LEU 22 HB2 LEU 22 18.605 2.623 -11.162 151 HB3 LEU 22 HB3 LEU 22 17.491 1.740 -12.187 152 HG LEU 22 HG LEU 22 16.406 3.864 -12.821 153 HD11 LEU 22 HD11 LEU 22 18.597 5.128 -11.181 154 HD12 LEU 22 HD12 LEU 22 16.873 5.147 -10.809 155 HD13 LEU 22 HD13 LEU 22 17.476 5.986 -12.238 156 HD21 LEU 22 HD21 LEU 22 19.394 3.807 -13.233 157 HD22 LEU 22 HD22 LEU 22 18.239 4.724 -14.199 158 HD23 LEU 22 HD23 LEU 22 18.191 2.960 -14.207 159 H ASP 23 H ASP 23 15.007 4.397 -10.447 160 HA ASP 23 HA ASP 23 12.935 4.843 -11.250 161 HB2 ASP 23 HB2 ASP 23 13.969 3.808 -13.340 162 HB3 ASP 23 HB3 ASP 23 13.142 2.319 -12.896 163 H THR 24 H THR 24 13.381 3.280 -8.910 164 HA THR 24 HA THR 24 11.574 1.086 -8.736 165 HB THR 24 HB THR 24 12.666 2.712 -6.450 166 HG1 THR 24 HG1 THR 24 14.576 1.575 -6.636 167 HG21 THR 24 HG21 THR 24 12.005 -0.230 -6.688 168 HG22 THR 24 HG22 THR 24 11.008 0.982 -5.883 169 HG23 THR 24 HG23 THR 24 12.602 0.585 -5.242 170 H TRP 25 H TRP 25 11.307 4.527 -8.264 171 HA TRP 25 HA TRP 25 8.945 4.441 -6.655 172 HB2 TRP 25 HB2 TRP 25 10.314 6.638 -8.195 173 HB3 TRP 25 HB3 TRP 25 8.799 6.900 -7.335 174 HD1 TRP 25 HD1 TRP 25 12.472 6.944 -6.799 175 HE1 TRP 25 HE1 TRP 25 13.010 7.185 -4.285 176 HE3 TRP 25 HE3 TRP 25 7.822 6.028 -4.903 177 HZ2 TRP 25 HZ2 TRP 25 11.619 7.006 -1.827 178 HZ3 TRP 25 HZ3 TRP 25 7.504 6.083 -2.468 179 HH2 TRP 25 HH2 TRP 25 9.359 6.558 -0.959 180 H ALA 26 H ALA 26 9.584 4.057 -9.952 181 HA ALA 26 HA ALA 26 7.077 5.034 -10.952 182 HB1 ALA 26 HB1 ALA 26 9.093 3.214 -12.264 183 HB2 ALA 26 HB2 ALA 26 9.053 4.975 -12.379 184 HB3 ALA 26 HB3 ALA 26 7.743 4.015 -13.068 185 H ILE 27 H ILE 27 5.250 3.894 -11.513 186 HA ILE 27 HA ILE 27 5.158 1.100 -10.596 187 HB ILE 27 HB ILE 27 2.826 2.992 -10.941 188 HG12 ILE 27 HG12 ILE 27 4.208 2.007 -8.435 189 HG13 ILE 27 HG13 ILE 27 4.232 3.654 -9.050 190 HG21 ILE 27 HG21 ILE 27 2.960 0.212 -9.778 191 HG22 ILE 27 HG22 ILE 27 2.224 0.661 -11.317 192 HG23 ILE 27 HG23 ILE 27 1.533 1.246 -9.803 193 HD11 ILE 27 HD11 ILE 27 1.801 2.182 -8.059 194 HD12 ILE 27 HD12 ILE 27 1.835 3.841 -8.660 195 HD13 ILE 27 HD13 ILE 27 2.699 3.420 -7.180 196 H THR 28 H THR 28 5.889 0.181 -12.455 197 HA THR 28 HA THR 28 4.648 0.759 -15.007 198 HB THR 28 HB THR 28 6.532 -1.530 -14.599 199 HG1 THR 28 HG1 THR 28 7.740 0.945 -14.943 200 HG21 THR 28 HG21 THR 28 7.443 -0.713 -16.730 201 HG22 THR 28 HG22 THR 28 6.316 0.643 -16.690 202 HG23 THR 28 HG23 THR 28 5.708 -1.005 -16.847 203 H VAL 29 H VAL 29 4.107 -1.325 -16.353 204 HA VAL 29 HA VAL 29 1.876 -2.611 -15.348 205 HB VAL 29 HB VAL 29 3.745 -3.689 -17.475 206 HG11 VAL 29 HG11 VAL 29 1.743 -4.813 -18.343 207 HG12 VAL 29 HG12 VAL 29 0.816 -4.211 -16.969 208 HG13 VAL 29 HG13 VAL 29 2.140 -5.346 -16.709 209 HG21 VAL 29 HG21 VAL 29 2.332 -2.521 -19.088 210 HG22 VAL 29 HG22 VAL 29 3.065 -1.385 -17.956 211 HG23 VAL 29 HG23 VAL 29 1.372 -1.844 -17.770 212 H GLU 30 H GLU 30 5.271 -3.673 -15.285 213 HA GLU 30 HA GLU 30 4.836 -6.203 -14.183 214 HB2 GLU 30 HB2 GLU 30 7.134 -4.265 -14.041 215 HB3 GLU 30 HB3 GLU 30 7.183 -5.799 -13.200 216 HG2 GLU 30 HG2 GLU 30 8.337 -5.963 -15.308 217 HG3 GLU 30 HG3 GLU 30 6.897 -6.976 -15.324 218 H GLU 31 H GLU 31 5.367 -3.064 -12.606 219 HA GLU 31 HA GLU 31 5.192 -4.066 -9.967 220 HB2 GLU 31 HB2 GLU 31 4.792 -1.270 -11.041 221 HB3 GLU 31 HB3 GLU 31 4.879 -1.674 -9.334 222 HG2 GLU 31 HG2 GLU 31 7.075 -2.197 -11.326 223 HG3 GLU 31 HG3 GLU 31 6.994 -0.797 -10.256 224 H ARG 32 H ARG 32 2.791 -2.883 -12.256 225 HA ARG 32 HA ARG 32 0.708 -2.752 -10.310 226 HB2 ARG 32 HB2 ARG 32 -0.791 -2.318 -12.080 227 HB3 ARG 32 HB3 ARG 32 0.702 -1.512 -12.512 228 HG2 ARG 32 HG2 ARG 32 0.890 -2.670 -14.391 229 HG3 ARG 32 HG3 ARG 32 0.487 -4.198 -13.600 230 HD2 ARG 32 HD2 ARG 32 -1.749 -2.310 -13.878 231 HD3 ARG 32 HD3 ARG 32 -1.103 -2.918 -15.402 232 HE ARG 32 HE ARG 32 -1.826 -5.054 -14.861 233 HH11 ARG 32 HH11 ARG 32 -2.491 -2.835 -12.216 234 HH12 ARG 32 HH12 ARG 32 -3.519 -3.953 -11.370 235 HH21 ARG 32 HH21 ARG 32 -3.193 -6.509 -13.762 236 HH22 ARG 32 HH22 ARG 32 -3.906 -6.048 -12.237 237 H ALA 33 H ALA 33 1.704 -5.156 -12.695 238 HA ALA 33 HA ALA 33 -0.234 -7.099 -12.031 239 HB1 ALA 33 HB1 ALA 33 2.520 -7.499 -13.195 240 HB2 ALA 33 HB2 ALA 33 1.045 -7.182 -14.109 241 HB3 ALA 33 HB3 ALA 33 1.211 -8.682 -13.198 242 H LYS 34 H LYS 34 2.998 -6.431 -10.828 243 HA LYS 34 HA LYS 34 3.402 -8.660 -9.225 244 HB2 LYS 34 HB2 LYS 34 4.948 -6.656 -9.846 245 HB3 LYS 34 HB3 LYS 34 4.305 -5.920 -8.390 246 HG2 LYS 34 HG2 LYS 34 5.551 -8.643 -8.324 247 HG3 LYS 34 HG3 LYS 34 6.535 -7.182 -8.259 248 HD2 LYS 34 HD2 LYS 34 5.103 -6.462 -6.302 249 HD3 LYS 34 HD3 LYS 34 4.439 -8.099 -6.303 250 HE2 LYS 34 HE2 LYS 34 6.645 -9.034 -5.951 251 HE3 LYS 34 HE3 LYS 34 7.365 -7.431 -6.069 252 HZ1 LYS 34 HZ1 LYS 34 5.566 -8.427 -3.939 253 HZ2 LYS 34 HZ2 LYS 34 6.033 -6.809 -4.093 254 HZ3 LYS 34 HZ3 LYS 34 7.199 -7.999 -3.782 255 H HIS 35 H HIS 35 1.828 -5.563 -8.398 256 HA HIS 35 HA HIS 35 1.243 -6.494 -5.742 257 HB2 HIS 35 HB2 HIS 35 0.288 -4.418 -5.294 258 HB3 HIS 35 HB3 HIS 35 1.598 -4.046 -6.395 259 HD1 HIS 35 HD1 HIS 35 0.980 -2.717 -8.444 260 HD2 HIS 35 HD2 HIS 35 -2.344 -4.237 -6.465 261 HE1 HIS 35 HE1 HIS 35 -1.014 -1.593 -9.494 262 HE2 HIS 35 HE2 HIS 35 -2.993 -2.396 -8.156 263 H ASP 36 H ASP 36 -0.380 -6.469 -8.797 264 HA ASP 36 HA ASP 36 -3.022 -6.971 -7.951 265 HB2 ASP 36 HB2 ASP 36 -2.220 -6.395 -10.308 266 HB3 ASP 36 HB3 ASP 36 -1.768 -8.089 -10.468 267 H GLN 37 H GLN 37 -0.366 -9.152 -8.804 268 HA GLN 37 HA GLN 37 -1.597 -11.606 -8.334 269 HB2 GLN 37 HB2 GLN 37 0.620 -11.370 -9.358 270 HB3 GLN 37 HB3 GLN 37 1.276 -10.800 -7.831 271 HG2 GLN 37 HG2 GLN 37 0.634 -13.008 -6.840 272 HG3 GLN 37 HG3 GLN 37 0.241 -13.547 -8.473 273 HE21 GLN 37 HE21 GLN 37 2.769 -12.672 -6.271 274 HE22 GLN 37 HE22 GLN 37 4.084 -13.260 -7.225 275 H GLN 38 H GLN 38 0.090 -9.444 -6.119 276 HA GLN 38 HA GLN 38 -0.196 -11.139 -3.842 277 HB2 GLN 38 HB2 GLN 38 0.595 -8.251 -4.177 278 HB3 GLN 38 HB3 GLN 38 0.529 -9.044 -2.606 279 HG2 GLN 38 HG2 GLN 38 2.238 -10.572 -3.205 280 HG3 GLN 38 HG3 GLN 38 2.163 -10.096 -4.899 281 HE21 GLN 38 HE21 GLN 38 2.035 -7.280 -4.412 282 HE22 GLN 38 HE22 GLN 38 3.587 -6.778 -3.848 283 H PHE 39 H PHE 39 -2.096 -8.596 -5.278 284 HA PHE 39 HA PHE 39 -3.876 -8.108 -3.142 285 HB2 PHE 39 HB2 PHE 39 -3.580 -6.896 -5.450 286 HB3 PHE 39 HB3 PHE 39 -4.736 -8.086 -6.027 287 HD1 PHE 39 HD1 PHE 39 -6.752 -8.283 -4.009 288 HD2 PHE 39 HD2 PHE 39 -4.554 -4.856 -5.250 289 HE1 PHE 39 HE1 PHE 39 -8.593 -6.830 -3.255 290 HE2 PHE 39 HE2 PHE 39 -6.386 -3.403 -4.495 291 HZ PHE 39 HZ PHE 39 -8.409 -4.387 -3.496 292 H HIS 40 H HIS 40 -3.674 -10.544 -5.636 293 HA HIS 40 HA HIS 40 -6.197 -11.746 -5.272 294 HB2 HIS 40 HB2 HIS 40 -4.389 -12.054 -7.141 295 HB3 HIS 40 HB3 HIS 40 -3.772 -13.318 -6.085 296 HD1 HIS 40 HD1 HIS 40 -6.366 -12.585 -8.566 297 HD2 HIS 40 HD2 HIS 40 -5.640 -15.498 -5.685 298 HE1 HIS 40 HE1 HIS 40 -7.895 -14.504 -9.139 299 HE2 HIS 40 HE2 HIS 40 -7.579 -16.169 -7.269 300 H SER 41 H SER 41 -3.079 -12.209 -3.724 301 HA SER 41 HA SER 41 -3.871 -14.483 -2.207 302 HB2 SER 41 HB2 SER 41 -1.500 -12.624 -2.011 303 HB3 SER 41 HB3 SER 41 -1.711 -14.053 -0.999 304 HG SER 41 HG SER 41 -1.708 -15.330 -2.858 305 H LEU 42 H LEU 42 -4.322 -11.119 -1.831 306 HA LEU 42 HA LEU 42 -4.631 -11.038 1.001 307 HB2 LEU 42 HB2 LEU 42 -4.458 -9.137 -0.855 308 HB3 LEU 42 HB3 LEU 42 -6.201 -9.264 -0.831 309 HG LEU 42 HG LEU 42 -4.546 -8.658 1.621 310 HD11 LEU 42 HD11 LEU 42 -4.248 -6.910 -0.053 311 HD12 LEU 42 HD12 LEU 42 -5.218 -6.335 1.304 312 HD13 LEU 42 HD13 LEU 42 -5.998 -6.762 -0.218 313 HD21 LEU 42 HD21 LEU 42 -6.769 -9.575 2.087 314 HD22 LEU 42 HD22 LEU 42 -7.494 -8.336 1.063 315 HD23 LEU 42 HD23 LEU 42 -6.663 -7.876 2.549 316 H LYS 43 H LYS 43 -6.432 -12.321 -1.570 317 HA LYS 43 HA LYS 43 -8.476 -13.200 -1.878 318 HB2 LYS 43 HB2 LYS 43 -8.374 -13.372 1.126 319 HB3 LYS 43 HB3 LYS 43 -9.811 -13.847 0.236 320 HG2 LYS 43 HG2 LYS 43 -8.702 -15.850 0.517 321 HG3 LYS 43 HG3 LYS 43 -8.198 -15.361 -1.100 322 HD2 LYS 43 HD2 LYS 43 -6.276 -16.151 0.107 323 HD3 LYS 43 HD3 LYS 43 -6.136 -14.403 -0.104 324 HE2 LYS 43 HE2 LYS 43 -7.032 -14.096 2.180 325 HE3 LYS 43 HE3 LYS 43 -7.045 -15.848 2.382 326 HZ1 LYS 43 HZ1 LYS 43 -4.656 -14.149 1.911 327 HZ2 LYS 43 HZ2 LYS 43 -4.631 -15.838 2.015 328 HZ3 LYS 43 HZ3 LYS 43 -5.074 -14.913 3.366 329 HA PRO 44 HA PRO 44 -10.403 -9.034 -1.391 330 HB2 PRO 44 HB2 PRO 44 -11.130 -8.898 -4.025 331 HB3 PRO 44 HB3 PRO 44 -9.587 -8.300 -3.405 332 HG2 PRO 44 HG2 PRO 44 -10.208 -10.881 -4.785 333 HG3 PRO 44 HG3 PRO 44 -8.809 -9.810 -4.984 334 HD2 PRO 44 HD2 PRO 44 -8.694 -12.082 -3.524 335 HD3 PRO 44 HD3 PRO 44 -7.745 -10.642 -3.112 336 H ILE 45 H ILE 45 -12.534 -8.758 -1.030 337 HA ILE 45 HA ILE 45 -14.215 -10.955 -0.723 338 HB ILE 45 HB ILE 45 -15.059 -8.068 -1.036 339 HG12 ILE 45 HG12 ILE 45 -14.343 -9.611 1.471 340 HG13 ILE 45 HG13 ILE 45 -13.316 -8.404 0.702 341 HG21 ILE 45 HG21 ILE 45 -16.909 -9.659 -1.211 342 HG22 ILE 45 HG22 ILE 45 -17.008 -8.721 0.278 343 HG23 ILE 45 HG23 ILE 45 -16.432 -10.387 0.323 344 HD11 ILE 45 HD11 ILE 45 -16.037 -7.900 1.884 345 HD12 ILE 45 HD12 ILE 45 -14.991 -6.693 1.134 346 HD13 ILE 45 HD13 ILE 45 -14.489 -7.490 2.624 347 H SER 46 H SER 46 -14.423 -8.380 -3.169 348 HA SER 46 HA SER 46 -15.159 -10.308 -5.174 349 HB2 SER 46 HB2 SER 46 -17.278 -9.466 -3.842 350 HB3 SER 46 HB3 SER 46 -17.086 -8.037 -4.857 351 HG SER 46 HG SER 46 -17.745 -10.667 -5.560 352 H GLY 47 H GLY 47 -12.884 -8.934 -5.101 353 HA2 GLY 47 HA2 GLY 47 -11.658 -7.800 -6.754 354 HA3 GLY 47 HA3 GLY 47 -13.159 -7.130 -7.375 355 H PHE 48 H PHE 48 -13.096 -6.811 -4.073 356 HA PHE 48 HA PHE 48 -11.656 -4.277 -4.056 357 HB2 PHE 48 HB2 PHE 48 -13.481 -3.023 -3.167 358 HB3 PHE 48 HB3 PHE 48 -14.100 -3.845 -4.592 359 HD1 PHE 48 HD2 PHE 48 -15.420 -6.010 -4.224 360 HD2 PHE 48 HD1 PHE 48 -14.522 -3.248 -1.110 361 HE1 PHE 48 HE2 PHE 48 -17.229 -6.961 -2.856 362 HE2 PHE 48 HE1 PHE 48 -16.329 -4.198 0.261 363 HZ PHE 48 HZ PHE 48 -17.685 -6.059 -0.611 364 H ILE 49 H ILE 49 -11.450 -3.442 -1.801 365 HA ILE 49 HA ILE 49 -11.642 -5.568 0.217 366 HB ILE 49 HB ILE 49 -9.547 -4.629 1.260 367 HG12 ILE 49 HG12 ILE 49 -9.194 -3.358 -1.464 368 HG13 ILE 49 HG13 ILE 49 -9.572 -2.482 0.013 369 HG21 ILE 49 HG21 ILE 49 -9.268 -5.886 -1.468 370 HG22 ILE 49 HG22 ILE 49 -9.541 -6.738 0.053 371 HG23 ILE 49 HG23 ILE 49 -8.030 -5.867 -0.210 372 HD11 ILE 49 HD11 ILE 49 -7.072 -4.067 -0.511 373 HD12 ILE 49 HD12 ILE 49 -7.449 -3.203 0.979 374 HD13 ILE 49 HD13 ILE 49 -7.219 -2.310 -0.525 375 H THR 50 H THR 50 -11.247 -4.478 2.481 376 HA THR 50 HA THR 50 -12.579 -1.865 2.573 377 HB THR 50 HB THR 50 -13.765 -2.749 4.673 378 HG1 THR 50 HG1 THR 50 -14.187 -5.130 4.332 379 HG21 THR 50 HG21 THR 50 -15.629 -3.680 3.365 380 HG22 THR 50 HG22 THR 50 -14.570 -3.805 1.960 381 HG23 THR 50 HG23 THR 50 -14.971 -2.221 2.624 382 H GLY 51 H GLY 51 -12.592 -1.295 5.175 383 HA2 GLY 51 HA2 GLY 51 -9.915 -0.624 5.706 384 HA3 GLY 51 HA3 GLY 51 -11.247 -0.479 6.841 385 H ASP 52 H ASP 52 -11.930 -3.256 6.929 386 HA ASP 52 HA ASP 52 -10.032 -4.140 8.866 387 HB2 ASP 52 HB2 ASP 52 -12.438 -4.719 8.999 388 HB3 ASP 52 HB3 ASP 52 -12.261 -5.713 7.557 389 H GLN 53 H GLN 53 -10.668 -4.912 5.499 390 HA GLN 53 HA GLN 53 -8.841 -7.070 5.307 391 HB2 GLN 53 HB2 GLN 53 -10.368 -5.384 3.426 392 HB3 GLN 53 HB3 GLN 53 -8.893 -6.091 2.780 393 HG2 GLN 53 HG2 GLN 53 -10.989 -7.417 2.415 394 HG3 GLN 53 HG3 GLN 53 -9.656 -8.286 3.170 395 HE21 GLN 53 HE21 GLN 53 -12.801 -6.873 3.670 396 HE22 GLN 53 HE22 GLN 53 -13.153 -7.693 5.153 397 H ALA 54 H ALA 54 -8.549 -3.583 4.745 398 HA ALA 54 HA ALA 54 -5.824 -3.577 4.001 399 HB1 ALA 54 HB1 ALA 54 -7.406 -1.429 5.420 400 HB2 ALA 54 HB2 ALA 54 -7.284 -1.635 3.673 401 HB3 ALA 54 HB3 ALA 54 -5.855 -1.203 4.612 402 H ARG 55 H ARG 55 -7.438 -3.157 7.120 403 HA ARG 55 HA ARG 55 -5.301 -2.887 8.830 404 HB2 ARG 55 HB2 ARG 55 -7.580 -2.706 9.591 405 HB3 ARG 55 HB3 ARG 55 -7.901 -4.384 9.194 406 HG2 ARG 55 HG2 ARG 55 -7.687 -4.208 11.549 407 HG3 ARG 55 HG3 ARG 55 -6.261 -5.045 10.936 408 HD2 ARG 55 HD2 ARG 55 -4.920 -3.081 11.174 409 HD3 ARG 55 HD3 ARG 55 -6.338 -2.094 11.542 410 HE ARG 55 HE ARG 55 -6.171 -4.183 13.410 411 HH11 ARG 55 HH11 ARG 55 -4.440 -1.267 12.553 412 HH12 ARG 55 HH12 ARG 55 -3.901 -0.960 14.178 413 HH21 ARG 55 HH21 ARG 55 -5.491 -3.780 15.531 414 HH22 ARG 55 HH22 ARG 55 -4.514 -2.383 15.883 415 H ASN 56 H ASN 56 -6.769 -5.921 7.705 416 HA ASN 56 HA ASN 56 -4.999 -7.649 9.052 417 HB2 ASN 56 HB2 ASN 56 -7.194 -8.336 8.132 418 HB3 ASN 56 HB3 ASN 56 -6.554 -8.147 6.504 419 HD21 ASN 56 HD21 ASN 56 -5.239 -9.712 5.655 420 HD22 ASN 56 HD22 ASN 56 -4.944 -11.224 6.433 421 H PHE 57 H PHE 57 -4.871 -6.183 5.836 422 HA PHE 57 HA PHE 57 -2.610 -7.612 4.913 423 HB2 PHE 57 HB2 PHE 57 -4.124 -6.369 3.415 424 HB3 PHE 57 HB3 PHE 57 -3.552 -4.855 4.110 425 HD1 PHE 57 HD2 PHE 57 -2.660 -7.718 1.996 426 HD2 PHE 57 HD1 PHE 57 -1.427 -3.954 3.544 427 HE1 PHE 57 HE2 PHE 57 -0.806 -7.668 0.382 428 HE2 PHE 57 HE1 PHE 57 0.425 -3.903 1.946 429 HZ PHE 57 HZ PHE 57 0.744 -5.753 0.356 430 H PHE 58 H PHE 58 -2.884 -4.363 6.342 431 HA PHE 58 HA PHE 58 -0.142 -3.792 6.393 432 HB2 PHE 58 HB2 PHE 58 -2.494 -2.768 7.950 433 HB3 PHE 58 HB3 PHE 58 -0.865 -2.249 8.367 434 HD1 PHE 58 HD1 PHE 58 -3.229 -2.446 5.500 435 HD2 PHE 58 HD2 PHE 58 0.105 -0.470 7.254 436 HE1 PHE 58 HE1 PHE 58 -3.335 -0.723 3.749 437 HE2 PHE 58 HE2 PHE 58 0.004 1.257 5.505 438 HZ PHE 58 HZ PHE 58 -1.716 1.133 3.750 439 H PHE 59 H PHE 59 -2.195 -5.410 8.764 440 HA PHE 59 HA PHE 59 -0.246 -5.589 10.810 441 HB2 PHE 59 HB2 PHE 59 -2.645 -5.904 11.240 442 HB3 PHE 59 HB3 PHE 59 -2.638 -7.368 10.266 443 HD1 PHE 59 HD1 PHE 59 -1.012 -5.873 13.256 444 HD2 PHE 59 HD2 PHE 59 -2.344 -9.409 11.300 445 HE1 PHE 59 HE1 PHE 59 -0.462 -7.185 15.266 446 HE2 PHE 59 HE2 PHE 59 -1.797 -10.729 13.300 447 HZ PHE 59 HZ PHE 59 -0.854 -9.620 15.286 448 H GLN 60 H GLN 60 -0.911 -7.483 7.980 449 HA GLN 60 HA GLN 60 0.643 -9.765 8.776 450 HB2 GLN 60 HB2 GLN 60 -1.362 -9.785 7.250 451 HB3 GLN 60 HB3 GLN 60 -0.360 -9.027 6.025 452 HG2 GLN 60 HG2 GLN 60 1.141 -10.982 6.092 453 HG3 GLN 60 HG3 GLN 60 0.049 -11.744 7.248 454 HE21 GLN 60 HE21 GLN 60 -1.074 -9.756 4.616 455 HE22 GLN 60 HE22 GLN 60 -1.798 -11.031 3.704 456 H SER 61 H SER 61 1.702 -6.771 8.094 457 HA SER 61 HA SER 61 3.760 -7.479 6.179 458 HB2 SER 61 HB2 SER 61 4.456 -5.148 6.314 459 HB3 SER 61 HB3 SER 61 2.706 -5.237 6.100 460 HG SER 61 HG SER 61 2.398 -4.515 8.096 461 H GLY 62 H GLY 62 3.581 -6.544 9.600 462 HA2 GLY 62 HA2 GLY 62 5.078 -7.612 11.194 463 HA3 GLY 62 HA3 GLY 62 6.311 -7.617 9.939 464 H LEU 63 H LEU 63 4.863 -4.768 9.521 465 HA LEU 63 HA LEU 63 6.899 -3.306 10.973 466 HB2 LEU 63 HB2 LEU 63 4.708 -2.461 9.081 467 HB3 LEU 63 HB3 LEU 63 5.767 -1.315 9.882 468 HG LEU 63 HG LEU 63 6.718 -3.501 8.025 469 HD11 LEU 63 HD11 LEU 63 5.363 -1.844 6.836 470 HD12 LEU 63 HD12 LEU 63 7.066 -1.724 6.395 471 HD13 LEU 63 HD13 LEU 63 6.356 -0.551 7.506 472 HD21 LEU 63 HD21 LEU 63 8.378 -2.818 9.669 473 HD22 LEU 63 HD22 LEU 63 8.127 -1.126 9.242 474 HD23 LEU 63 HD23 LEU 63 8.821 -2.240 8.063 475 HA PRO 64 HA PRO 64 4.436 -2.225 14.496 476 HB2 PRO 64 HB2 PRO 64 5.343 0.332 14.938 477 HB3 PRO 64 HB3 PRO 64 6.198 -1.126 15.448 478 HG2 PRO 64 HG2 PRO 64 6.661 0.614 13.067 479 HG3 PRO 64 HG3 PRO 64 7.841 -0.196 14.115 480 HD2 PRO 64 HD2 PRO 64 7.178 -1.141 11.670 481 HD3 PRO 64 HD3 PRO 64 7.621 -2.210 13.017 482 H GLN 65 H GLN 65 2.680 -0.918 15.129 483 HA GLN 65 HA GLN 65 0.946 -0.319 13.027 484 HB2 GLN 65 HB2 GLN 65 0.078 -1.014 15.142 485 HB3 GLN 65 HB3 GLN 65 0.783 0.378 15.952 486 HG2 GLN 65 HG2 GLN 65 -0.750 1.862 14.941 487 HG3 GLN 65 HG3 GLN 65 -1.292 0.632 13.800 488 HE21 GLN 65 HE21 GLN 65 -1.337 1.650 17.137 489 HE22 GLN 65 HE22 GLN 65 -2.742 0.748 17.596 490 HA PRO 66 HA PRO 66 1.840 4.468 14.075 491 HB2 PRO 66 HB2 PRO 66 4.757 3.975 14.519 492 HB3 PRO 66 HB3 PRO 66 3.717 5.246 15.179 493 HG2 PRO 66 HG2 PRO 66 4.418 3.185 16.693 494 HG3 PRO 66 HG3 PRO 66 2.764 3.823 16.756 495 HD2 PRO 66 HD2 PRO 66 3.791 1.347 15.449 496 HD3 PRO 66 HD3 PRO 66 2.243 1.633 16.269 497 H VAL 67 H VAL 67 4.298 2.282 12.741 498 HA VAL 67 HA VAL 67 4.966 3.950 10.533 499 HB VAL 67 HB VAL 67 5.440 1.016 11.074 500 HG11 VAL 67 HG11 VAL 67 5.339 1.320 8.666 501 HG12 VAL 67 HG12 VAL 67 7.002 1.037 9.183 502 HG13 VAL 67 HG13 VAL 67 6.470 2.668 8.770 503 HG21 VAL 67 HG21 VAL 67 6.656 2.567 12.507 504 HG22 VAL 67 HG22 VAL 67 7.288 3.400 11.087 505 HG23 VAL 67 HG23 VAL 67 7.754 1.731 11.408 506 H LEU 68 H LEU 68 2.789 1.209 10.986 507 HA LEU 68 HA LEU 68 1.949 0.900 8.329 508 HB2 LEU 68 HB2 LEU 68 0.486 0.399 10.920 509 HB3 LEU 68 HB3 LEU 68 -0.080 -0.136 9.352 510 HG LEU 68 HG LEU 68 2.462 -1.019 10.717 511 HD11 LEU 68 HD11 LEU 68 -0.101 -2.503 10.157 512 HD12 LEU 68 HD12 LEU 68 0.442 -1.933 11.736 513 HD13 LEU 68 HD13 LEU 68 1.353 -3.181 10.888 514 HD21 LEU 68 HD21 LEU 68 1.260 -1.924 8.104 515 HD22 LEU 68 HD22 LEU 68 2.711 -2.575 8.869 516 HD23 LEU 68 HD23 LEU 68 2.696 -0.913 8.278 517 H ALA 69 H ALA 69 0.632 2.844 10.973 518 HA ALA 69 HA ALA 69 -1.564 3.916 9.596 519 HB1 ALA 69 HB1 ALA 69 -1.327 4.020 12.031 520 HB2 ALA 69 HB2 ALA 69 -1.629 5.614 11.341 521 HB3 ALA 69 HB3 ALA 69 -0.002 5.169 11.852 522 H GLN 70 H GLN 70 1.799 4.919 9.745 523 HA GLN 70 HA GLN 70 1.534 7.423 8.494 524 HB2 GLN 70 HB2 GLN 70 3.537 6.273 9.731 525 HB3 GLN 70 HB3 GLN 70 3.923 5.632 8.147 526 HG2 GLN 70 HG2 GLN 70 3.557 8.564 8.559 527 HG3 GLN 70 HG3 GLN 70 5.073 7.770 8.970 528 HE21 GLN 70 HE21 GLN 70 3.002 8.845 6.422 529 HE22 GLN 70 HE22 GLN 70 4.101 8.544 5.124 530 H ILE 71 H ILE 71 2.184 4.177 7.244 531 HA ILE 71 HA ILE 71 2.329 4.905 4.512 532 HB ILE 71 HB ILE 71 1.623 2.248 5.773 533 HG12 ILE 71 HG12 ILE 71 4.225 3.187 4.552 534 HG13 ILE 71 HG13 ILE 71 3.888 3.201 6.277 535 HG21 ILE 71 HG21 ILE 71 0.796 2.394 3.472 536 HG22 ILE 71 HG22 ILE 71 2.129 1.248 3.610 537 HG23 ILE 71 HG23 ILE 71 2.410 2.847 2.922 538 HD11 ILE 71 HD11 ILE 71 3.951 0.758 4.525 539 HD12 ILE 71 HD12 ILE 71 3.647 0.783 6.261 540 HD13 ILE 71 HD13 ILE 71 5.221 1.273 5.636 541 H TRP 72 H TRP 72 -0.333 3.777 6.567 542 HA TRP 72 HA TRP 72 -2.225 3.525 4.496 543 HB2 TRP 72 HB2 TRP 72 -2.492 2.494 6.733 544 HB3 TRP 72 HB3 TRP 72 -2.755 4.095 7.418 545 HD1 TRP 72 HD1 TRP 72 -4.350 2.929 4.112 546 HE1 TRP 72 HE1 TRP 72 -6.904 2.910 4.401 547 HE3 TRP 72 HE3 TRP 72 -4.608 3.964 9.111 548 HZ2 TRP 72 HZ2 TRP 72 -8.778 3.265 6.469 549 HZ3 TRP 72 HZ3 TRP 72 -6.828 4.094 10.168 550 HH2 TRP 72 HH2 TRP 72 -8.867 3.757 8.875 551 H ALA 73 H ALA 73 -1.478 6.248 6.674 552 HA ALA 73 HA ALA 73 -3.603 7.887 5.767 553 HB1 ALA 73 HB1 ALA 73 -0.975 8.741 6.975 554 HB2 ALA 73 HB2 ALA 73 -2.418 8.285 7.881 555 HB3 ALA 73 HB3 ALA 73 -2.437 9.718 6.856 556 H LEU 74 H LEU 74 -0.418 7.230 4.579 557 HA LEU 74 HA LEU 74 -0.301 9.351 2.661 558 HB2 LEU 74 HB2 LEU 74 1.353 7.167 3.565 559 HB3 LEU 74 HB3 LEU 74 1.322 7.228 1.815 560 HG LEU 74 HG LEU 74 2.187 9.453 3.668 561 HD11 LEU 74 HD11 LEU 74 3.787 7.639 3.478 562 HD12 LEU 74 HD12 LEU 74 4.369 9.070 2.625 563 HD13 LEU 74 HD13 LEU 74 3.693 7.716 1.718 564 HD21 LEU 74 HD21 LEU 74 2.048 9.368 0.653 565 HD22 LEU 74 HD22 LEU 74 2.770 10.656 1.618 566 HD23 LEU 74 HD23 LEU 74 1.036 10.351 1.711 567 H ALA 75 H ALA 75 -1.041 5.887 2.538 568 HA ALA 75 HA ALA 75 -1.327 5.808 -0.293 569 HB1 ALA 75 HB1 ALA 75 -0.638 3.868 1.016 570 HB2 ALA 75 HB2 ALA 75 -2.067 3.521 0.043 571 HB3 ALA 75 HB3 ALA 75 -2.228 3.815 1.775 572 H ASP 76 H ASP 76 -3.656 5.831 2.393 573 HA ASP 76 HA ASP 76 -5.929 5.799 0.625 574 HB2 ASP 76 HB2 ASP 76 -5.833 4.926 3.047 575 HB3 ASP 76 HB3 ASP 76 -5.943 6.610 3.537 576 H MET 77 H MET 77 -5.352 7.525 -0.742 577 HA MET 77 HA MET 77 -4.541 10.065 0.220 578 HB2 MET 77 HB2 MET 77 -5.479 9.182 -2.510 579 HB3 MET 77 HB3 MET 77 -4.781 10.758 -2.164 580 HG2 MET 77 HG2 MET 77 -2.692 9.750 -1.532 581 HG3 MET 77 HG3 MET 77 -3.377 8.137 -1.710 582 HE1 MET 77 HE1 MET 77 -4.013 7.036 -3.997 583 HE2 MET 77 HE2 MET 77 -3.910 7.852 -5.557 584 HE3 MET 77 HE3 MET 77 -5.093 8.382 -4.361 585 H ASN 78 H ASN 78 -7.585 8.892 -1.187 586 HA ASN 78 HA ASN 78 -8.886 11.427 -0.763 587 HB2 ASN 78 HB2 ASN 78 -10.960 10.246 -1.407 588 HB3 ASN 78 HB3 ASN 78 -9.670 9.997 -2.568 589 HD21 ASN 78 HD21 ASN 78 -10.436 8.142 -3.418 590 HD22 ASN 78 HD22 ASN 78 -10.539 6.653 -2.549 591 H ASN 79 H ASN 79 -7.995 8.878 1.127 592 HA ASN 79 HA ASN 79 -8.467 8.061 3.163 593 HB2 ASN 79 HB2 ASN 79 -7.524 10.303 3.694 594 HB3 ASN 79 HB3 ASN 79 -9.171 10.918 3.822 595 HD21 ASN 79 HD21 ASN 79 -8.180 7.707 4.832 596 HD22 ASN 79 HD22 ASN 79 -8.411 7.975 6.528 597 H ASP 80 H ASP 80 -10.334 7.016 2.072 598 HA ASP 80 HA ASP 80 -12.886 7.885 3.188 599 HB2 ASP 80 HB2 ASP 80 -12.935 6.990 0.916 600 HB3 ASP 80 HB3 ASP 80 -12.202 5.486 1.468 601 H GLY 81 H GLY 81 -10.265 5.785 3.894 602 HA2 GLY 81 HA2 GLY 81 -9.925 4.792 6.003 603 HA3 GLY 81 HA3 GLY 81 -11.652 4.893 6.313 604 H ARG 82 H ARG 82 -11.597 3.716 3.320 605 HA ARG 82 HA ARG 82 -11.530 0.935 4.264 606 HB2 ARG 82 HB2 ARG 82 -13.315 2.390 2.434 607 HB3 ARG 82 HB3 ARG 82 -12.836 0.793 1.878 608 HG2 ARG 82 HG2 ARG 82 -14.397 -0.080 3.172 609 HG3 ARG 82 HG3 ARG 82 -13.519 0.501 4.583 610 HD2 ARG 82 HD2 ARG 82 -15.606 2.051 3.052 611 HD3 ARG 82 HD3 ARG 82 -15.865 1.224 4.587 612 HE ARG 82 HE ARG 82 -14.360 3.692 4.148 613 HH11 ARG 82 HH11 ARG 82 -15.456 1.201 6.365 614 HH12 ARG 82 HH12 ARG 82 -15.204 2.168 7.781 615 HH21 ARG 82 HH21 ARG 82 -14.010 4.963 6.026 616 HH22 ARG 82 HH22 ARG 82 -14.373 4.298 7.598 617 H MET 83 H MET 83 -10.023 3.154 2.200 618 HA MET 83 HA MET 83 -8.379 3.060 0.664 619 HB2 MET 83 HB2 MET 83 -7.090 1.884 2.291 620 HB3 MET 83 HB3 MET 83 -7.921 0.372 1.950 621 HG2 MET 83 HG2 MET 83 -6.915 0.250 -0.227 622 HG3 MET 83 HG3 MET 83 -6.192 1.842 -0.024 623 HE1 MET 83 HE1 MET 83 -5.019 1.903 2.850 624 HE2 MET 83 HE2 MET 83 -4.137 2.379 1.400 625 HE3 MET 83 HE3 MET 83 -3.397 1.275 2.558 626 H ASP 84 H ASP 84 -9.334 3.169 -1.259 627 HA ASP 84 HA ASP 84 -10.644 0.962 -2.530 628 HB2 ASP 84 HB2 ASP 84 -11.253 3.286 -3.043 629 HB3 ASP 84 HB3 ASP 84 -9.636 3.592 -3.661 630 H GLN 85 H GLN 85 -9.859 0.269 -4.779 631 HA GLN 85 HA GLN 85 -7.386 -1.070 -4.451 632 HB2 GLN 85 HB2 GLN 85 -9.145 -0.694 -6.879 633 HB3 GLN 85 HB3 GLN 85 -7.712 -1.709 -6.869 634 HG2 GLN 85 HG2 GLN 85 -9.591 -3.122 -6.585 635 HG3 GLN 85 HG3 GLN 85 -8.760 -3.044 -5.034 636 HE21 GLN 85 HE21 GLN 85 -9.763 -2.030 -3.303 637 HE22 GLN 85 HE22 GLN 85 -11.439 -1.603 -3.320 638 H VAL 86 H VAL 86 -8.258 1.981 -5.886 639 HA VAL 86 HA VAL 86 -5.805 2.401 -7.285 640 HB VAL 86 HB VAL 86 -7.743 4.444 -6.167 641 HG11 VAL 86 HG11 VAL 86 -6.725 5.984 -7.801 642 HG12 VAL 86 HG12 VAL 86 -5.521 4.753 -8.181 643 HG13 VAL 86 HG13 VAL 86 -5.583 5.456 -6.565 644 HG21 VAL 86 HG21 VAL 86 -8.795 2.952 -7.779 645 HG22 VAL 86 HG22 VAL 86 -7.502 3.269 -8.936 646 HG23 VAL 86 HG23 VAL 86 -8.601 4.566 -8.463 647 H GLU 87 H GLU 87 -6.971 3.226 -4.051 648 HA GLU 87 HA GLU 87 -4.649 4.636 -3.243 649 HB2 GLU 87 HB2 GLU 87 -6.457 3.196 -1.317 650 HB3 GLU 87 HB3 GLU 87 -5.607 4.717 -1.099 651 HG2 GLU 87 HG2 GLU 87 -8.021 4.242 -2.832 652 HG3 GLU 87 HG3 GLU 87 -7.981 5.096 -1.293 653 H PHE 88 H PHE 88 -5.695 1.280 -2.993 654 HA PHE 88 HA PHE 88 -3.524 0.387 -1.388 655 HB2 PHE 88 HB2 PHE 88 -5.641 -0.863 -1.567 656 HB3 PHE 88 HB3 PHE 88 -5.306 -1.190 -3.264 657 HD1 PHE 88 HD2 PHE 88 -4.245 -1.896 0.193 658 HD2 PHE 88 HD1 PHE 88 -3.832 -2.941 -3.911 659 HE1 PHE 88 HE2 PHE 88 -3.028 -3.936 0.837 660 HE2 PHE 88 HE1 PHE 88 -2.621 -4.985 -3.274 661 HZ PHE 88 HZ PHE 88 -2.214 -5.482 -0.895 662 H SER 89 H SER 89 -3.958 0.912 -4.789 663 HA SER 89 HA SER 89 -1.981 -0.757 -5.828 664 HB2 SER 89 HB2 SER 89 -3.692 0.438 -7.180 665 HB3 SER 89 HB3 SER 89 -2.839 1.951 -6.885 666 HG SER 89 HG SER 89 -1.253 1.339 -8.204 667 H ILE 90 H ILE 90 -1.775 2.375 -4.292 668 HA ILE 90 HA ILE 90 1.058 2.611 -4.970 669 HB ILE 90 HB ILE 90 -0.556 4.555 -5.211 670 HG12 ILE 90 HG12 ILE 90 1.800 5.020 -3.373 671 HG13 ILE 90 HG13 ILE 90 1.921 4.805 -5.117 672 HG21 ILE 90 HG21 ILE 90 -1.837 4.272 -3.187 673 HG22 ILE 90 HG22 ILE 90 -1.046 5.850 -3.170 674 HG23 ILE 90 HG23 ILE 90 -0.397 4.526 -2.203 675 HD11 ILE 90 HD11 ILE 90 2.036 7.148 -4.521 676 HD12 ILE 90 HD12 ILE 90 0.481 7.038 -3.699 677 HD13 ILE 90 HD13 ILE 90 0.573 6.821 -5.448 678 H ALA 91 H ALA 91 -0.898 1.388 -2.532 679 HA ALA 91 HA ALA 91 0.633 2.201 -0.249 680 HB1 ALA 91 HB1 ALA 91 -0.822 0.718 1.010 681 HB2 ALA 91 HB2 ALA 91 -1.444 0.027 -0.488 682 HB3 ALA 91 HB3 ALA 91 -1.765 1.716 -0.095 683 H MET 92 H MET 92 0.532 -0.649 -2.314 684 HA MET 92 HA MET 92 1.935 -2.354 -0.542 685 HB2 MET 92 HB2 MET 92 0.583 -2.718 -2.882 686 HB3 MET 92 HB3 MET 92 2.248 -2.912 -3.416 687 HG2 MET 92 HG2 MET 92 0.939 -4.441 -1.171 688 HG3 MET 92 HG3 MET 92 1.212 -5.045 -2.803 689 HE1 MET 92 HE1 MET 92 3.760 -7.003 -0.437 690 HE2 MET 92 HE2 MET 92 2.356 -7.176 -1.488 691 HE3 MET 92 HE3 MET 92 2.195 -6.373 0.074 692 H LYS 93 H LYS 93 2.961 0.024 -2.859 693 HA LYS 93 HA LYS 93 5.658 -0.691 -3.163 694 HB2 LYS 93 HB2 LYS 93 4.212 1.949 -3.232 695 HB3 LYS 93 HB3 LYS 93 5.954 1.867 -3.428 696 HG2 LYS 93 HG2 LYS 93 4.123 0.261 -5.169 697 HG3 LYS 93 HG3 LYS 93 4.490 1.949 -5.524 698 HD2 LYS 93 HD2 LYS 93 6.953 1.258 -5.328 699 HD3 LYS 93 HD3 LYS 93 6.360 -0.400 -5.441 700 HE2 LYS 93 HE2 LYS 93 5.343 0.067 -7.582 701 HE3 LYS 93 HE3 LYS 93 5.787 1.767 -7.456 702 HZ1 LYS 93 HZ1 LYS 93 7.595 -0.563 -7.817 703 HZ2 LYS 93 HZ2 LYS 93 8.156 0.989 -7.408 704 HZ3 LYS 93 HZ3 LYS 93 7.350 0.745 -8.874 705 H LEU 94 H LEU 94 4.054 1.354 -0.752 706 HA LEU 94 HA LEU 94 6.449 2.134 0.549 707 HB2 LEU 94 HB2 LEU 94 3.657 2.700 0.760 708 HB3 LEU 94 HB3 LEU 94 4.298 2.352 2.355 709 HG LEU 94 HG LEU 94 6.063 4.047 1.978 710 HD11 LEU 94 HD11 LEU 94 6.097 3.997 -0.457 711 HD12 LEU 94 HD12 LEU 94 5.814 5.632 0.138 712 HD13 LEU 94 HD13 LEU 94 4.472 4.681 -0.504 713 HD21 LEU 94 HD21 LEU 94 4.040 4.598 3.210 714 HD22 LEU 94 HD22 LEU 94 3.226 5.026 1.706 715 HD23 LEU 94 HD23 LEU 94 4.598 5.981 2.269 716 H ILE 95 H ILE 95 4.079 -0.395 1.173 717 HA ILE 95 HA ILE 95 4.860 -1.114 3.747 718 HB ILE 95 HB ILE 95 3.826 -2.944 1.565 719 HG12 ILE 95 HG12 ILE 95 2.348 -1.011 2.064 720 HG13 ILE 95 HG13 ILE 95 1.619 -2.555 2.491 721 HG21 ILE 95 HG21 ILE 95 4.832 -4.209 3.386 722 HG22 ILE 95 HG22 ILE 95 3.078 -4.395 3.400 723 HG23 ILE 95 HG23 ILE 95 3.857 -3.321 4.559 724 HD11 ILE 95 HD11 ILE 95 2.170 -2.168 4.831 725 HD12 ILE 95 HD12 ILE 95 1.180 -0.867 4.175 726 HD13 ILE 95 HD13 ILE 95 2.911 -0.626 4.404 727 H LYS 96 H LYS 96 5.947 -2.397 0.623 728 HA LYS 96 HA LYS 96 7.873 -4.166 1.750 729 HB2 LYS 96 HB2 LYS 96 6.662 -4.141 -0.588 730 HB3 LYS 96 HB3 LYS 96 8.030 -3.151 -1.065 731 HG2 LYS 96 HG2 LYS 96 8.323 -5.873 0.177 732 HG3 LYS 96 HG3 LYS 96 8.209 -5.606 -1.561 733 HD2 LYS 96 HD2 LYS 96 10.199 -4.121 -1.401 734 HD3 LYS 96 HD3 LYS 96 10.341 -4.564 0.300 735 HE2 LYS 96 HE2 LYS 96 10.586 -6.914 -0.335 736 HE3 LYS 96 HE3 LYS 96 10.454 -6.469 -2.035 737 HZ1 LYS 96 HZ1 LYS 96 12.453 -5.043 -1.683 738 HZ2 LYS 96 HZ2 LYS 96 12.736 -6.708 -1.543 739 HZ3 LYS 96 HZ3 LYS 96 12.624 -5.750 -0.147 740 H LEU 97 H LEU 97 7.953 -0.894 0.448 741 HA LEU 97 HA LEU 97 10.761 -0.669 0.243 742 HB2 LEU 97 HB2 LEU 97 9.029 0.769 -0.888 743 HB3 LEU 97 HB3 LEU 97 8.800 1.583 0.647 744 HG LEU 97 HG LEU 97 11.206 2.243 0.594 745 HD11 LEU 97 HD11 LEU 97 12.399 2.078 -1.543 746 HD12 LEU 97 HD12 LEU 97 11.077 1.110 -2.197 747 HD13 LEU 97 HD13 LEU 97 12.046 0.491 -0.861 748 HD21 LEU 97 HD21 LEU 97 9.467 3.784 -0.120 749 HD22 LEU 97 HD22 LEU 97 9.522 3.113 -1.750 750 HD23 LEU 97 HD23 LEU 97 10.915 3.980 -1.106 751 H LYS 98 H LYS 98 8.480 0.203 2.830 752 HA LYS 98 HA LYS 98 10.515 1.416 4.424 753 HB2 LYS 98 HB2 LYS 98 7.730 0.500 5.111 754 HB3 LYS 98 HB3 LYS 98 8.809 1.247 6.284 755 HG2 LYS 98 HG2 LYS 98 8.999 3.159 4.564 756 HG3 LYS 98 HG3 LYS 98 7.551 2.451 3.849 757 HD2 LYS 98 HD2 LYS 98 6.901 4.199 5.374 758 HD3 LYS 98 HD3 LYS 98 6.423 2.641 6.046 759 HE2 LYS 98 HE2 LYS 98 7.360 3.972 7.804 760 HE3 LYS 98 HE3 LYS 98 8.485 2.667 7.432 761 HZ1 LYS 98 HZ1 LYS 98 8.711 5.503 6.573 762 HZ2 LYS 98 HZ2 LYS 98 9.763 4.264 6.084 763 HZ3 LYS 98 HZ3 LYS 98 9.677 4.708 7.717 764 H LEU 99 H LEU 99 9.335 -1.851 4.091 765 HA LEU 99 HA LEU 99 10.502 -2.984 6.378 766 HB2 LEU 99 HB2 LEU 99 9.986 -4.093 3.625 767 HB3 LEU 99 HB3 LEU 99 10.676 -5.067 4.907 768 HG LEU 99 HG LEU 99 7.979 -3.717 5.071 769 HD11 LEU 99 HD11 LEU 99 8.014 -5.440 3.329 770 HD12 LEU 99 HD12 LEU 99 7.042 -5.937 4.714 771 HD13 LEU 99 HD13 LEU 99 8.661 -6.599 4.490 772 HD21 LEU 99 HD21 LEU 99 9.294 -5.807 6.804 773 HD22 LEU 99 HD22 LEU 99 7.657 -5.183 7.000 774 HD23 LEU 99 HD23 LEU 99 9.043 -4.117 7.235 775 H GLN 100 H GLN 100 11.864 -2.058 3.276 776 HA GLN 100 HA GLN 100 14.424 -3.249 3.762 777 HB2 GLN 100 HB2 GLN 100 13.649 -2.897 1.484 778 HB3 GLN 100 HB3 GLN 100 13.533 -1.166 1.757 779 HG2 GLN 100 HG2 GLN 100 15.501 -1.694 0.464 780 HG3 GLN 100 HG3 GLN 100 15.954 -1.043 2.037 781 HE21 GLN 100 HE21 GLN 100 14.840 -4.331 1.555 782 HE22 GLN 100 HE22 GLN 100 16.358 -5.094 1.891 783 H GLY 101 H GLY 101 12.909 -0.219 4.505 784 HA2 GLY 101 HA2 GLY 101 13.812 0.900 6.478 785 HA3 GLY 101 HA3 GLY 101 15.414 0.593 5.832 786 H TYR 102 H TYR 102 12.524 1.907 4.223 787 HA TYR 102 HA TYR 102 14.088 4.343 3.708 788 HB2 TYR 102 HB2 TYR 102 11.852 3.085 2.138 789 HB3 TYR 102 HB3 TYR 102 12.386 4.734 1.866 790 HD1 TYR 102 HD2 TYR 102 13.626 1.218 1.893 791 HD2 TYR 102 HD1 TYR 102 14.172 5.182 0.454 792 HE1 TYR 102 HE2 TYR 102 15.387 0.418 0.377 793 HE2 TYR 102 HE1 TYR 102 15.934 4.394 -1.068 794 HH TYR 102 HH TYR 102 16.444 1.135 -1.770 795 H GLN 103 H GLN 103 12.889 6.344 3.620 796 HA GLN 103 HA GLN 103 10.727 6.369 5.605 797 HB2 GLN 103 HB2 GLN 103 11.606 8.788 6.036 798 HB3 GLN 103 HB3 GLN 103 12.387 7.413 6.790 799 HG2 GLN 103 HG2 GLN 103 14.080 8.897 6.046 800 HG3 GLN 103 HG3 GLN 103 14.110 7.487 4.993 801 HE21 GLN 103 HE21 GLN 103 13.855 7.763 2.842 802 HE22 GLN 103 HE22 GLN 103 13.550 9.287 2.084 803 H LEU 104 H LEU 104 9.024 7.803 5.357 804 HA LEU 104 HA LEU 104 8.801 9.094 2.723 805 HB2 LEU 104 HB2 LEU 104 6.844 7.198 4.010 806 HB3 LEU 104 HB3 LEU 104 6.348 8.344 2.782 807 HG LEU 104 HG LEU 104 6.640 6.335 1.638 808 HD11 LEU 104 HD11 LEU 104 8.565 6.697 0.172 809 HD12 LEU 104 HD12 LEU 104 9.193 7.890 1.310 810 HD13 LEU 104 HD13 LEU 104 7.664 8.182 0.481 811 HD21 LEU 104 HD21 LEU 104 7.765 5.061 3.359 812 HD22 LEU 104 HD22 LEU 104 9.256 5.959 3.083 813 HD23 LEU 104 HD23 LEU 104 8.619 4.900 1.824 814 HA PRO 105 HA PRO 105 6.825 12.279 5.180 815 HB2 PRO 105 HB2 PRO 105 6.282 13.996 3.203 816 HB3 PRO 105 HB3 PRO 105 7.946 13.699 3.719 817 HG2 PRO 105 HG2 PRO 105 6.498 12.705 1.317 818 HG3 PRO 105 HG3 PRO 105 8.203 13.152 1.496 819 HD2 PRO 105 HD2 PRO 105 7.150 10.550 1.550 820 HD3 PRO 105 HD3 PRO 105 8.777 11.032 2.062 821 H SER 106 H SER 106 4.722 13.825 4.364 822 HA SER 106 HA SER 106 2.577 11.840 4.296 823 HB2 SER 106 HB2 SER 106 2.512 14.819 4.808 824 HB3 SER 106 HB3 SER 106 1.133 13.730 4.922 825 HG SER 106 HG SER 106 2.215 12.620 6.597 826 H ALA 107 H ALA 107 4.301 13.131 2.015 827 HA ALA 107 HA ALA 107 2.083 13.167 0.114 828 HB1 ALA 107 HB1 ALA 107 2.971 15.120 -1.047 829 HB2 ALA 107 HB2 ALA 107 4.240 15.276 0.167 830 HB3 ALA 107 HB3 ALA 107 2.553 15.518 0.619 831 H LEU 108 H LEU 108 2.510 11.575 -1.267 832 HA LEU 108 HA LEU 108 5.233 10.702 -1.729 833 HB2 LEU 108 HB2 LEU 108 2.558 9.668 -2.655 834 HB3 LEU 108 HB3 LEU 108 4.075 8.982 -3.202 835 HG LEU 108 HG LEU 108 3.139 9.074 -0.333 836 HD11 LEU 108 HD11 LEU 108 2.880 6.671 -0.550 837 HD12 LEU 108 HD12 LEU 108 3.354 6.759 -2.247 838 HD13 LEU 108 HD13 LEU 108 1.852 7.515 -1.709 839 HD21 LEU 108 HD21 LEU 108 5.567 9.208 -0.525 840 HD22 LEU 108 HD22 LEU 108 5.569 7.796 -1.582 841 HD23 LEU 108 HD23 LEU 108 5.072 7.636 0.102 842 HA PRO 109 HA PRO 109 6.148 12.760 -5.490 843 HB2 PRO 109 HB2 PRO 109 6.996 10.656 -7.084 844 HB3 PRO 109 HB3 PRO 109 7.998 11.501 -5.904 845 HG2 PRO 109 HG2 PRO 109 6.532 8.913 -5.636 846 HG3 PRO 109 HG3 PRO 109 8.143 9.360 -5.039 847 HD2 PRO 109 HD2 PRO 109 6.031 9.274 -3.398 848 HD3 PRO 109 HD3 PRO 109 7.281 10.524 -3.221 849 HA PRO 110 HA PRO 110 2.649 12.480 -8.132 850 HB2 PRO 110 HB2 PRO 110 3.592 13.719 -10.354 851 HB3 PRO 110 HB3 PRO 110 3.188 14.580 -8.866 852 HG2 PRO 110 HG2 PRO 110 5.860 13.701 -9.884 853 HG3 PRO 110 HG3 PRO 110 5.401 15.233 -9.115 854 HD2 PRO 110 HD2 PRO 110 6.657 13.237 -7.774 855 HD3 PRO 110 HD3 PRO 110 5.514 14.349 -6.995 856 H VAL 111 H VAL 111 5.670 11.088 -9.137 857 HA VAL 111 HA VAL 111 4.934 10.111 -11.663 858 HB VAL 111 HB VAL 111 6.910 8.856 -9.742 859 HG11 VAL 111 HG11 VAL 111 6.693 8.683 -12.746 860 HG12 VAL 111 HG12 VAL 111 6.342 7.394 -11.597 861 HG13 VAL 111 HG13 VAL 111 7.989 7.995 -11.768 862 HG21 VAL 111 HG21 VAL 111 7.429 11.205 -10.070 863 HG22 VAL 111 HG22 VAL 111 7.352 10.997 -11.821 864 HG23 VAL 111 HG23 VAL 111 8.615 10.188 -10.890 865 H MET 112 H MET 112 4.453 8.803 -8.450 866 HA MET 112 HA MET 112 3.911 6.136 -9.284 867 HB2 MET 112 HB2 MET 112 3.086 7.463 -6.701 868 HB3 MET 112 HB3 MET 112 3.247 5.737 -6.998 869 HG2 MET 112 HG2 MET 112 5.676 6.118 -7.413 870 HG3 MET 112 HG3 MET 112 5.443 7.786 -6.892 871 HE1 MET 112 HE1 MET 112 4.854 4.088 -4.211 872 HE2 MET 112 HE2 MET 112 5.416 4.029 -5.882 873 HE3 MET 112 HE3 MET 112 3.756 4.505 -5.526 874 H LYS 113 H LYS 113 2.003 8.999 -9.019 875 HA LYS 113 HA LYS 113 -0.478 7.437 -9.251 876 HB2 LYS 113 HB2 LYS 113 -1.600 9.570 -8.578 877 HB3 LYS 113 HB3 LYS 113 -0.527 8.905 -7.353 878 HG2 LYS 113 HG2 LYS 113 1.183 10.502 -7.908 879 HG3 LYS 113 HG3 LYS 113 0.227 11.107 -9.262 880 HD2 LYS 113 HD2 LYS 113 0.039 12.619 -7.403 881 HD3 LYS 113 HD3 LYS 113 -1.512 11.827 -7.672 882 HE2 LYS 113 HE2 LYS 113 -1.102 11.897 -5.311 883 HE3 LYS 113 HE3 LYS 113 -0.935 10.227 -5.850 884 HZ1 LYS 113 HZ1 LYS 113 0.829 10.870 -4.315 885 HZ2 LYS 113 HZ2 LYS 113 1.315 12.110 -5.371 886 HZ3 LYS 113 HZ3 LYS 113 1.458 10.492 -5.844 887 H GLN 114 H GLN 114 1.641 9.509 -10.916 888 HA GLN 114 HA GLN 114 1.621 10.664 -12.859 889 HB2 GLN 114 HB2 GLN 114 -0.835 9.045 -13.566 890 HB3 GLN 114 HB3 GLN 114 0.216 9.907 -14.674 891 HG2 GLN 114 HG2 GLN 114 2.055 8.373 -14.052 892 HG3 GLN 114 HG3 GLN 114 0.907 7.463 -13.069 893 HE21 GLN 114 HE21 GLN 114 -0.785 6.334 -14.107 894 HE22 GLN 114 HE22 GLN 114 -0.696 5.924 -15.790 895 H GLN 115 H GLN 115 -0.257 11.820 -14.406 896 HA GLN 115 HA GLN 115 -1.751 13.529 -12.606 897 HB2 GLN 115 HB2 GLN 115 -0.656 14.494 -14.600 898 HB3 GLN 115 HB3 GLN 115 -1.645 13.474 -15.637 899 HG2 GLN 115 HG2 GLN 115 -3.660 14.609 -14.798 900 HG3 GLN 115 HG3 GLN 115 -2.642 15.651 -13.806 901 HE21 GLN 115 HE21 GLN 115 -4.500 16.336 -15.946 902 HE22 GLN 115 HE22 GLN 115 -3.580 17.206 -17.126 903 HA PRO 116 HA PRO 116 -5.442 11.010 -12.897 904 HB2 PRO 116 HB2 PRO 116 -6.953 13.385 -12.115 905 HB3 PRO 116 HB3 PRO 116 -6.714 11.876 -11.233 906 HG2 PRO 116 HG2 PRO 116 -5.591 14.222 -10.486 907 HG3 PRO 116 HG3 PRO 116 -4.848 12.651 -10.154 908 HD2 PRO 116 HD2 PRO 116 -4.183 14.677 -12.244 909 HD3 PRO 116 HD3 PRO 116 -3.102 13.622 -11.308 910 H VAL 117 H VAL 117 -4.868 11.368 -15.290 911 HA VAL 117 HA VAL 117 -6.405 13.308 -16.715 912 HB VAL 117 HB VAL 117 -5.674 12.006 -18.761 913 HG11 VAL 117 HG11 VAL 117 -4.521 13.999 -17.983 914 HG12 VAL 117 HG12 VAL 117 -3.363 12.821 -18.601 915 HG13 VAL 117 HG13 VAL 117 -3.567 13.029 -16.862 916 HG21 VAL 117 HG21 VAL 117 -3.803 10.428 -18.440 917 HG22 VAL 117 HG22 VAL 117 -5.307 9.831 -17.740 918 HG23 VAL 117 HG23 VAL 117 -4.059 10.507 -16.695 919 H ALA 118 H ALA 118 -8.484 13.174 -16.655 920 HA ALA 118 HA ALA 118 -9.778 10.757 -17.693 921 HB1 ALA 118 HB1 ALA 118 -10.695 12.251 -15.237 922 HB2 ALA 118 HB2 ALA 118 -9.985 10.637 -15.263 923 HB3 ALA 118 HB3 ALA 118 -11.554 10.922 -16.017 924 H ILE 119 H ILE 119 -9.039 13.601 -18.449 925 HA ILE 119 HA ILE 119 -9.784 15.174 -19.874 926 HB ILE 119 HB ILE 119 -12.251 13.465 -19.934 927 HG12 ILE 119 HG12 ILE 119 -10.348 12.339 -20.878 928 HG13 ILE 119 HG13 ILE 119 -11.392 12.853 -22.199 929 HG21 ILE 119 HG21 ILE 119 -11.554 15.837 -21.660 930 HG22 ILE 119 HG22 ILE 119 -12.889 15.728 -20.511 931 HG23 ILE 119 HG23 ILE 119 -12.889 14.726 -21.961 932 HD11 ILE 119 HD11 ILE 119 -9.047 13.217 -22.720 933 HD12 ILE 119 HD12 ILE 119 -8.879 14.242 -21.293 934 HD13 ILE 119 HD13 ILE 119 -9.919 14.746 -22.626 935 H SER 120 H SER 120 -12.440 14.240 -17.689 936 HA SER 120 HA SER 120 -13.344 16.934 -17.387 937 HB2 SER 120 HB2 SER 120 -13.976 14.489 -15.715 938 HB3 SER 120 HB3 SER 120 -14.883 16.003 -15.739 939 HG SER 120 HG SER 120 -14.816 15.376 -18.212 940 H SER 121 H SER 121 -11.872 18.276 -16.565 941 HA SER 121 HA SER 121 -11.215 18.034 -13.764 942 HB2 SER 121 HB2 SER 121 -9.019 18.279 -15.843 943 HB3 SER 121 HB3 SER 121 -8.799 18.361 -14.094 944 HG SER 121 HG SER 121 -10.114 16.145 -14.539 Start of MODEL 10 1 H1 MET 1 H1 MET 1 18.081 15.112 -75.430 2 H2 MET 1 H2 MET 1 17.503 15.214 -73.839 3 H3 MET 1 H3 MET 1 16.564 14.454 -75.033 4 HA MET 1 HA MET 1 17.587 12.830 -73.610 5 HB2 MET 1 HB2 MET 1 18.697 11.477 -75.319 6 HB3 MET 1 HB3 MET 1 17.262 12.253 -75.974 7 HG2 MET 1 HG2 MET 1 18.633 13.918 -77.077 8 HG3 MET 1 HG3 MET 1 20.088 13.224 -76.363 9 HE1 MET 1 HE1 MET 1 20.451 12.303 -80.149 10 HE2 MET 1 HE2 MET 1 21.207 13.086 -78.761 11 HE3 MET 1 HE3 MET 1 19.756 13.781 -79.482 12 H GLY 2 H GLY 2 19.383 11.997 -72.570 13 HA2 GLY 2 HA2 GLY 2 21.730 11.848 -72.164 14 HA3 GLY 2 HA3 GLY 2 21.935 13.408 -72.955 15 H HIS 3 H HIS 3 20.488 11.883 -70.099 16 HA HIS 3 HA HIS 3 21.257 14.262 -68.560 17 HB2 HIS 3 HB2 HIS 3 18.708 14.042 -69.253 18 HB3 HIS 3 HB3 HIS 3 18.671 12.908 -67.909 19 HD1 HIS 3 HD1 HIS 3 18.140 13.944 -65.713 20 HD2 HIS 3 HD2 HIS 3 19.812 16.674 -68.373 21 HE1 HIS 3 HE1 HIS 3 18.067 16.170 -64.541 22 HE2 HIS 3 HE2 HIS 3 19.056 17.815 -66.173 23 H HIS 4 H HIS 4 22.885 13.333 -67.446 24 HA HIS 4 HA HIS 4 22.873 10.633 -66.592 25 HB2 HIS 4 HB2 HIS 4 24.898 11.200 -65.301 26 HB3 HIS 4 HB3 HIS 4 24.984 11.772 -66.959 27 HD1 HIS 4 HD1 HIS 4 25.084 14.302 -67.339 28 HD2 HIS 4 HD2 HIS 4 24.835 13.228 -63.329 29 HE1 HIS 4 HE1 HIS 4 25.616 16.390 -66.045 30 HE2 HIS 4 HE2 HIS 4 25.682 15.657 -63.639 31 H HIS 5 H HIS 5 22.023 9.686 -64.908 32 HA HIS 5 HA HIS 5 21.215 11.323 -62.613 33 HB2 HIS 5 HB2 HIS 5 19.048 10.065 -62.520 34 HB3 HIS 5 HB3 HIS 5 19.195 11.154 -63.893 35 HD1 HIS 5 HD1 HIS 5 19.558 10.018 -66.255 36 HD2 HIS 5 HD2 HIS 5 18.651 7.410 -63.144 37 HE1 HIS 5 HE1 HIS 5 18.859 7.867 -67.356 38 HE2 HIS 5 HE2 HIS 5 18.187 6.348 -65.460 39 H HIS 6 H HIS 6 22.069 10.554 -60.869 40 HA HIS 6 HA HIS 6 22.002 7.697 -60.324 41 HB2 HIS 6 HB2 HIS 6 24.537 9.320 -60.422 42 HB3 HIS 6 HB3 HIS 6 24.397 7.917 -59.378 43 HD1 HIS 6 HD1 HIS 6 24.314 5.584 -60.521 44 HD2 HIS 6 HD2 HIS 6 24.860 8.773 -63.133 45 HE1 HIS 6 HE1 HIS 6 25.075 4.563 -62.689 46 HE2 HIS 6 HE2 HIS 6 25.647 6.533 -64.151 47 H HIS 7 H HIS 7 21.725 7.256 -58.176 48 HA HIS 7 HA HIS 7 21.856 9.572 -56.365 49 HB2 HIS 7 HB2 HIS 7 20.252 8.168 -54.897 50 HB3 HIS 7 HB3 HIS 7 19.600 9.014 -56.290 51 HD1 HIS 7 HD1 HIS 7 18.094 7.664 -57.693 52 HD2 HIS 7 HD2 HIS 7 20.764 5.287 -55.561 53 HE1 HIS 7 HE1 HIS 7 17.459 5.288 -58.219 54 HE2 HIS 7 HE2 HIS 7 18.949 3.879 -56.759 55 H HIS 8 H HIS 8 23.589 9.528 -55.170 56 HA HIS 8 HA HIS 8 24.919 7.008 -54.601 57 HB2 HIS 8 HB2 HIS 8 26.718 8.385 -53.631 58 HB3 HIS 8 HB3 HIS 8 26.321 8.896 -55.266 59 HD1 HIS 8 HD1 HIS 8 26.310 10.048 -51.716 60 HD2 HIS 8 HD2 HIS 8 25.140 11.460 -55.455 61 HE1 HIS 8 HE1 HIS 8 25.872 12.509 -51.414 62 HE2 HIS 8 HE2 HIS 8 25.010 13.301 -53.647 63 H SER 9 H SER 9 25.321 6.180 -52.573 64 HA SER 9 HA SER 9 24.122 7.438 -50.260 65 HB2 SER 9 HB2 SER 9 22.213 6.242 -51.248 66 HB3 SER 9 HB3 SER 9 23.145 4.746 -51.259 67 HG SER 9 HG SER 9 23.027 4.628 -49.080 68 H HIS 10 H HIS 10 25.411 7.111 -48.593 69 HA HIS 10 HA HIS 10 26.680 4.508 -48.259 70 HB2 HIS 10 HB2 HIS 10 28.418 5.902 -49.310 71 HB3 HIS 10 HB3 HIS 10 28.205 7.124 -48.061 72 HD1 HIS 10 HD1 HIS 10 30.466 7.003 -46.981 73 HD2 HIS 10 HD2 HIS 10 28.646 3.277 -47.300 74 HE1 HIS 10 HE1 HIS 10 31.877 5.440 -45.609 75 HE2 HIS 10 HE2 HIS 10 30.622 3.255 -45.623 76 H MET 11 H MET 11 24.804 4.489 -46.824 77 HA MET 11 HA MET 11 25.050 6.209 -44.476 78 HB2 MET 11 HB2 MET 11 22.801 5.419 -43.879 79 HB3 MET 11 HB3 MET 11 22.843 6.126 -45.485 80 HG2 MET 11 HG2 MET 11 22.805 3.926 -46.488 81 HG3 MET 11 HG3 MET 11 22.865 3.174 -44.895 82 HE1 MET 11 HE1 MET 11 20.984 5.238 -43.294 83 HE2 MET 11 HE2 MET 11 20.890 3.492 -43.061 84 HE3 MET 11 HE3 MET 11 19.424 4.418 -43.385 85 H ALA 12 H ALA 12 26.256 5.495 -42.899 86 HA ALA 12 HA ALA 12 25.963 2.698 -42.061 87 HB1 ALA 12 HB1 ALA 12 28.083 2.867 -43.258 88 HB2 ALA 12 HB2 ALA 12 28.359 2.597 -41.537 89 HB3 ALA 12 HB3 ALA 12 28.573 4.208 -42.221 90 H GLN 13 H GLN 13 24.757 3.040 -40.278 91 HA GLN 13 HA GLN 13 25.724 5.034 -38.349 92 HB2 GLN 13 HB2 GLN 13 22.985 3.787 -38.614 93 HB3 GLN 13 HB3 GLN 13 23.454 4.944 -37.378 94 HG2 GLN 13 HG2 GLN 13 23.880 6.610 -39.132 95 HG3 GLN 13 HG3 GLN 13 23.344 5.446 -40.343 96 HE21 GLN 13 HE21 GLN 13 21.659 6.761 -41.013 97 HE22 GLN 13 HE22 GLN 13 20.236 6.994 -40.048 98 H PHE 14 H PHE 14 26.128 4.451 -36.260 99 HA PHE 14 HA PHE 14 25.717 1.627 -35.550 100 HB2 PHE 14 HB2 PHE 14 28.145 2.235 -36.053 101 HB3 PHE 14 HB3 PHE 14 28.084 3.261 -34.625 102 HD1 PHE 14 HD2 PHE 14 28.036 -0.189 -35.848 103 HD2 PHE 14 HD1 PHE 14 28.081 2.319 -32.416 104 HE1 PHE 14 HE2 PHE 14 28.599 -2.126 -34.444 105 HE2 PHE 14 HE1 PHE 14 28.647 0.386 -31.001 106 HZ PHE 14 HZ PHE 14 28.904 -1.842 -32.018 107 HA PRO 15 HA PRO 15 23.543 4.285 -32.560 108 HB2 PRO 15 HB2 PRO 15 21.693 2.083 -32.243 109 HB3 PRO 15 HB3 PRO 15 21.404 3.672 -32.951 110 HG2 PRO 15 HG2 PRO 15 21.412 1.351 -34.390 111 HG3 PRO 15 HG3 PRO 15 21.799 2.938 -35.075 112 HD2 PRO 15 HD2 PRO 15 23.641 0.747 -34.206 113 HD3 PRO 15 HD3 PRO 15 23.754 1.825 -35.615 114 H THR 16 H THR 16 23.790 4.349 -30.414 115 HA THR 16 HA THR 16 25.143 2.242 -29.038 116 HB THR 16 HB THR 16 24.092 4.005 -27.127 117 HG1 THR 16 HG1 THR 16 23.616 5.732 -28.258 118 HG21 THR 16 HG21 THR 16 26.755 4.080 -28.552 119 HG22 THR 16 HG22 THR 16 26.356 3.084 -27.153 120 HG23 THR 16 HG23 THR 16 26.392 4.839 -27.002 121 HA PRO 17 HA PRO 17 21.527 -0.015 -27.657 122 HB2 PRO 17 HB2 PRO 17 23.253 -0.906 -25.445 123 HB3 PRO 17 HB3 PRO 17 22.435 -1.862 -26.683 124 HG2 PRO 17 HG2 PRO 17 25.099 -1.514 -26.693 125 HG3 PRO 17 HG3 PRO 17 24.161 -1.629 -28.193 126 HD2 PRO 17 HD2 PRO 17 25.278 0.790 -26.836 127 HD3 PRO 17 HD3 PRO 17 25.186 0.401 -28.562 128 H PHE 18 H PHE 18 20.664 -0.505 -25.290 129 HA PHE 18 HA PHE 18 20.645 2.079 -23.885 130 HB2 PHE 18 HB2 PHE 18 18.261 0.339 -24.547 131 HB3 PHE 18 HB3 PHE 18 18.209 1.758 -23.504 132 HD1 PHE 18 HD2 PHE 18 18.817 3.993 -24.484 133 HD2 PHE 18 HD1 PHE 18 18.107 0.540 -26.864 134 HE1 PHE 18 HE2 PHE 18 18.443 5.430 -26.442 135 HE2 PHE 18 HE1 PHE 18 17.734 1.972 -28.830 136 HZ PHE 18 HZ PHE 18 17.898 4.418 -28.623 137 H GLY 19 H GLY 19 20.986 1.996 -21.801 138 HA2 GLY 19 HA2 GLY 19 20.392 -0.513 -20.351 139 HA3 GLY 19 HA3 GLY 19 21.845 0.430 -20.035 140 H GLY 20 H GLY 20 18.365 1.093 -20.393 141 HA2 GLY 20 HA2 GLY 20 18.599 3.248 -18.456 142 HA3 GLY 20 HA3 GLY 20 17.181 2.850 -19.411 143 H SER 21 H SER 21 19.100 1.814 -16.625 144 HA SER 21 HA SER 21 16.739 0.491 -15.527 145 HB2 SER 21 HB2 SER 21 19.574 0.636 -14.468 146 HB3 SER 21 HB3 SER 21 18.260 -0.307 -13.759 147 HG SER 21 HG SER 21 18.146 -1.466 -15.750 148 H LEU 22 H LEU 22 15.480 2.318 -15.146 149 HA LEU 22 HA LEU 22 16.370 3.997 -12.899 150 HB2 LEU 22 HB2 LEU 22 14.968 4.832 -15.434 151 HB3 LEU 22 HB3 LEU 22 14.872 5.798 -13.977 152 HG LEU 22 HG LEU 22 17.459 5.803 -14.062 153 HD11 LEU 22 HD11 LEU 22 18.403 5.632 -16.309 154 HD12 LEU 22 HD12 LEU 22 16.845 5.078 -16.920 155 HD13 LEU 22 HD13 LEU 22 17.738 4.089 -15.765 156 HD21 LEU 22 HD21 LEU 22 17.442 7.746 -15.545 157 HD22 LEU 22 HD22 LEU 22 16.079 7.769 -14.428 158 HD23 LEU 22 HD23 LEU 22 15.831 7.298 -16.109 159 H ASP 23 H ASP 23 13.838 5.407 -12.943 160 HA ASP 23 HA ASP 23 11.993 5.387 -11.698 161 HB2 ASP 23 HB2 ASP 23 10.152 4.182 -12.655 162 HB3 ASP 23 HB3 ASP 23 11.152 4.857 -13.918 163 H THR 24 H THR 24 12.715 4.923 -9.708 164 HA THR 24 HA THR 24 12.318 2.173 -8.747 165 HB THR 24 HB THR 24 13.640 4.524 -7.377 166 HG1 THR 24 HG1 THR 24 15.026 3.863 -8.957 167 HG21 THR 24 HG21 THR 24 12.672 2.933 -5.788 168 HG22 THR 24 HG22 THR 24 14.436 2.870 -5.756 169 HG23 THR 24 HG23 THR 24 13.523 1.612 -6.589 170 H TRP 25 H TRP 25 11.245 5.478 -8.441 171 HA TRP 25 HA TRP 25 9.254 4.675 -6.439 172 HB2 TRP 25 HB2 TRP 25 10.530 7.295 -7.118 173 HB3 TRP 25 HB3 TRP 25 8.968 7.242 -6.312 174 HD1 TRP 25 HD1 TRP 25 12.607 7.102 -5.596 175 HE1 TRP 25 HE1 TRP 25 13.025 6.466 -3.135 176 HE3 TRP 25 HE3 TRP 25 7.876 5.606 -4.340 177 HZ2 TRP 25 HZ2 TRP 25 11.535 5.467 -0.956 178 HZ3 TRP 25 HZ3 TRP 25 7.464 4.821 -2.045 179 HH2 TRP 25 HH2 TRP 25 9.256 4.754 -0.392 180 H ALA 26 H ALA 26 9.420 4.602 -9.512 181 HA ALA 26 HA ALA 26 6.746 5.677 -10.046 182 HB1 ALA 26 HB1 ALA 26 8.782 4.559 -11.974 183 HB2 ALA 26 HB2 ALA 26 8.493 6.269 -11.660 184 HB3 ALA 26 HB3 ALA 26 7.233 5.287 -12.403 185 H ILE 27 H ILE 27 5.412 4.172 -11.544 186 HA ILE 27 HA ILE 27 5.319 1.554 -10.290 187 HB ILE 27 HB ILE 27 3.512 2.740 -12.402 188 HG12 ILE 27 HG12 ILE 27 3.069 2.359 -9.432 189 HG13 ILE 27 HG13 ILE 27 3.454 3.893 -10.200 190 HG21 ILE 27 HG21 ILE 27 1.996 0.899 -11.871 191 HG22 ILE 27 HG22 ILE 27 3.179 0.242 -10.738 192 HG23 ILE 27 HG23 ILE 27 3.541 0.294 -12.464 193 HD11 ILE 27 HD11 ILE 27 0.977 2.247 -10.680 194 HD12 ILE 27 HD12 ILE 27 1.361 3.783 -11.459 195 HD13 ILE 27 HD13 ILE 27 1.085 3.723 -9.718 196 H THR 28 H THR 28 7.121 0.545 -11.026 197 HA THR 28 HA THR 28 7.827 0.217 -13.758 198 HB THR 28 HB THR 28 8.528 -1.649 -11.481 199 HG1 THR 28 HG1 THR 28 9.786 0.823 -12.210 200 HG21 THR 28 HG21 THR 28 9.214 -2.362 -13.734 201 HG22 THR 28 HG22 THR 28 10.604 -1.977 -12.717 202 HG23 THR 28 HG23 THR 28 10.067 -0.832 -13.947 203 H VAL 29 H VAL 29 7.734 -1.898 -14.914 204 HA VAL 29 HA VAL 29 5.245 -2.994 -15.227 205 HB VAL 29 HB VAL 29 7.830 -4.508 -15.629 206 HG11 VAL 29 HG11 VAL 29 6.586 -5.652 -17.417 207 HG12 VAL 29 HG12 VAL 29 5.132 -4.764 -16.958 208 HG13 VAL 29 HG13 VAL 29 5.857 -5.912 -15.832 209 HG21 VAL 29 HG21 VAL 29 6.428 -2.578 -17.474 210 HG22 VAL 29 HG22 VAL 29 7.805 -3.589 -17.911 211 HG23 VAL 29 HG23 VAL 29 7.987 -2.330 -16.687 212 H GLU 30 H GLU 30 7.894 -4.314 -13.227 213 HA GLU 30 HA GLU 30 6.507 -6.493 -12.166 214 HB2 GLU 30 HB2 GLU 30 8.875 -6.340 -11.854 215 HB3 GLU 30 HB3 GLU 30 8.727 -4.810 -11.002 216 HG2 GLU 30 HG2 GLU 30 7.734 -5.867 -9.118 217 HG3 GLU 30 HG3 GLU 30 7.587 -7.396 -9.981 218 H GLU 31 H GLU 31 6.880 -3.232 -10.785 219 HA GLU 31 HA GLU 31 5.275 -3.557 -8.535 220 HB2 GLU 31 HB2 GLU 31 5.508 -1.049 -10.212 221 HB3 GLU 31 HB3 GLU 31 5.076 -1.134 -8.510 222 HG2 GLU 31 HG2 GLU 31 7.742 -1.902 -9.683 223 HG3 GLU 31 HG3 GLU 31 7.382 -0.393 -8.850 224 H ARG 32 H ARG 32 4.444 -2.640 -11.826 225 HA ARG 32 HA ARG 32 1.738 -2.066 -11.459 226 HB2 ARG 32 HB2 ARG 32 3.248 -1.688 -13.508 227 HB3 ARG 32 HB3 ARG 32 2.872 -3.341 -13.954 228 HG2 ARG 32 HG2 ARG 32 0.773 -1.235 -13.482 229 HG3 ARG 32 HG3 ARG 32 1.496 -1.547 -15.057 230 HD2 ARG 32 HD2 ARG 32 0.557 -3.700 -15.180 231 HD3 ARG 32 HD3 ARG 32 0.177 -3.718 -13.457 232 HE ARG 32 HE ARG 32 -1.278 -1.636 -14.358 233 HH11 ARG 32 HH11 ARG 32 -0.992 -4.948 -15.486 234 HH12 ARG 32 HH12 ARG 32 -2.640 -5.021 -16.050 235 HH21 ARG 32 HH21 ARG 32 -3.423 -1.741 -15.084 236 HH22 ARG 32 HH22 ARG 32 -4.023 -3.199 -15.811 237 H ALA 33 H ALA 33 3.388 -5.125 -12.112 238 HA ALA 33 HA ALA 33 0.946 -6.633 -12.233 239 HB1 ALA 33 HB1 ALA 33 2.916 -7.335 -13.483 240 HB2 ALA 33 HB2 ALA 33 2.410 -8.587 -12.349 241 HB3 ALA 33 HB3 ALA 33 3.801 -7.569 -11.975 242 H LYS 34 H LYS 34 3.254 -5.768 -9.785 243 HA LYS 34 HA LYS 34 2.839 -7.789 -7.918 244 HB2 LYS 34 HB2 LYS 34 4.232 -5.309 -8.053 245 HB3 LYS 34 HB3 LYS 34 3.349 -5.353 -6.534 246 HG2 LYS 34 HG2 LYS 34 5.227 -7.510 -7.484 247 HG3 LYS 34 HG3 LYS 34 5.656 -6.219 -6.362 248 HD2 LYS 34 HD2 LYS 34 3.895 -7.010 -4.823 249 HD3 LYS 34 HD3 LYS 34 3.545 -8.333 -5.935 250 HE2 LYS 34 HE2 LYS 34 6.171 -7.849 -4.533 251 HE3 LYS 34 HE3 LYS 34 4.972 -9.059 -4.084 252 HZ1 LYS 34 HZ1 LYS 34 6.519 -10.230 -5.335 253 HZ2 LYS 34 HZ2 LYS 34 6.716 -8.987 -6.469 254 HZ3 LYS 34 HZ3 LYS 34 5.291 -9.906 -6.463 255 H HIS 35 H HIS 35 1.045 -4.766 -8.379 256 HA HIS 35 HA HIS 35 -0.242 -4.705 -5.904 257 HB2 HIS 35 HB2 HIS 35 -1.573 -3.015 -6.721 258 HB3 HIS 35 HB3 HIS 35 -0.203 -2.922 -7.809 259 HD1 HIS 35 HD1 HIS 35 -0.637 -3.753 -10.295 260 HD2 HIS 35 HD2 HIS 35 -4.007 -3.558 -7.868 261 HE1 HIS 35 HE1 HIS 35 -2.604 -3.866 -11.853 262 HE2 HIS 35 HE2 HIS 35 -4.625 -3.951 -10.350 263 H ASP 36 H ASP 36 -0.980 -6.531 -8.754 264 HA ASP 36 HA ASP 36 -3.652 -7.223 -8.135 265 HB2 ASP 36 HB2 ASP 36 -2.702 -7.443 -10.397 266 HB3 ASP 36 HB3 ASP 36 -1.632 -8.717 -9.822 267 H GLN 37 H GLN 37 -0.584 -8.927 -7.641 268 HA GLN 37 HA GLN 37 -1.830 -11.188 -6.420 269 HB2 GLN 37 HB2 GLN 37 1.054 -10.318 -6.586 270 HB3 GLN 37 HB3 GLN 37 0.527 -11.848 -5.891 271 HG2 GLN 37 HG2 GLN 37 -0.303 -12.610 -7.967 272 HG3 GLN 37 HG3 GLN 37 -0.145 -11.015 -8.696 273 HE21 GLN 37 HE21 GLN 37 1.106 -11.785 -10.361 274 HE22 GLN 37 HE22 GLN 37 2.752 -12.273 -10.139 275 H GLN 38 H GLN 38 -0.330 -8.240 -5.240 276 HA GLN 38 HA GLN 38 -0.324 -8.928 -2.500 277 HB2 GLN 38 HB2 GLN 38 -0.663 -6.206 -3.779 278 HB3 GLN 38 HB3 GLN 38 -0.304 -6.491 -2.083 279 HG2 GLN 38 HG2 GLN 38 1.454 -7.151 -4.432 280 HG3 GLN 38 HG3 GLN 38 1.698 -5.860 -3.257 281 HE21 GLN 38 HE21 GLN 38 2.387 -6.388 -1.171 282 HE22 GLN 38 HE22 GLN 38 3.104 -7.923 -0.808 283 H PHE 39 H PHE 39 -2.747 -7.489 -4.621 284 HA PHE 39 HA PHE 39 -4.735 -7.081 -2.644 285 HB2 PHE 39 HB2 PHE 39 -4.794 -5.949 -4.825 286 HB3 PHE 39 HB3 PHE 39 -5.014 -7.496 -5.633 287 HD1 PHE 39 HD1 PHE 39 -6.625 -5.856 -2.689 288 HD2 PHE 39 HD2 PHE 39 -7.114 -7.687 -6.498 289 HE1 PHE 39 HE1 PHE 39 -9.063 -5.594 -2.499 290 HE2 PHE 39 HE2 PHE 39 -9.554 -7.428 -6.312 291 HZ PHE 39 HZ PHE 39 -10.529 -6.367 -4.312 292 H HIS 40 H HIS 40 -3.904 -9.761 -4.745 293 HA HIS 40 HA HIS 40 -6.084 -11.441 -4.154 294 HB2 HIS 40 HB2 HIS 40 -4.344 -11.716 -5.995 295 HB3 HIS 40 HB3 HIS 40 -3.270 -12.356 -4.760 296 HD1 HIS 40 HD1 HIS 40 -5.373 -13.497 -7.310 297 HD2 HIS 40 HD2 HIS 40 -4.774 -14.667 -3.361 298 HE1 HIS 40 HE1 HIS 40 -6.236 -15.859 -7.157 299 HE2 HIS 40 HE2 HIS 40 -5.967 -16.511 -4.734 300 H SER 41 H SER 41 -2.932 -10.996 -2.612 301 HA SER 41 HA SER 41 -3.364 -13.048 -0.665 302 HB2 SER 41 HB2 SER 41 -1.101 -12.286 -1.457 303 HB3 SER 41 HB3 SER 41 -1.347 -10.791 -0.555 304 HG SER 41 HG SER 41 -1.762 -12.348 1.288 305 H LEU 42 H LEU 42 -4.333 -9.786 -0.957 306 HA LEU 42 HA LEU 42 -4.568 -9.055 1.761 307 HB2 LEU 42 HB2 LEU 42 -4.944 -7.792 -0.613 308 HB3 LEU 42 HB3 LEU 42 -6.608 -8.078 -0.157 309 HG LEU 42 HG LEU 42 -4.592 -6.556 1.505 310 HD11 LEU 42 HD11 LEU 42 -5.207 -5.383 -0.543 311 HD12 LEU 42 HD12 LEU 42 -5.888 -4.592 0.879 312 HD13 LEU 42 HD13 LEU 42 -6.915 -5.589 -0.149 313 HD21 LEU 42 HD21 LEU 42 -6.306 -7.658 2.867 314 HD22 LEU 42 HD22 LEU 42 -7.562 -6.917 1.876 315 HD23 LEU 42 HD23 LEU 42 -6.506 -5.904 2.861 316 H LYS 43 H LYS 43 -6.288 -11.203 -0.234 317 HA LYS 43 HA LYS 43 -8.022 -12.617 0.077 318 HB2 LYS 43 HB2 LYS 43 -7.946 -11.758 2.978 319 HB3 LYS 43 HB3 LYS 43 -8.748 -13.182 2.332 320 HG2 LYS 43 HG2 LYS 43 -6.636 -14.165 1.741 321 HG3 LYS 43 HG3 LYS 43 -5.779 -12.699 2.229 322 HD2 LYS 43 HD2 LYS 43 -6.649 -13.030 4.532 323 HD3 LYS 43 HD3 LYS 43 -7.354 -14.559 4.004 324 HE2 LYS 43 HE2 LYS 43 -4.423 -13.847 3.961 325 HE3 LYS 43 HE3 LYS 43 -5.211 -14.902 5.132 326 HZ1 LYS 43 HZ1 LYS 43 -4.171 -16.259 3.502 327 HZ2 LYS 43 HZ2 LYS 43 -4.862 -15.389 2.227 328 HZ3 LYS 43 HZ3 LYS 43 -5.844 -16.345 3.221 329 HA PRO 44 HA PRO 44 -10.921 -8.966 0.003 330 HB2 PRO 44 HB2 PRO 44 -11.670 -9.282 -2.599 331 HB3 PRO 44 HB3 PRO 44 -10.340 -8.239 -2.086 332 HG2 PRO 44 HG2 PRO 44 -10.256 -10.969 -3.269 333 HG3 PRO 44 HG3 PRO 44 -9.162 -9.602 -3.512 334 HD2 PRO 44 HD2 PRO 44 -8.591 -11.734 -1.896 335 HD3 PRO 44 HD3 PRO 44 -7.916 -10.110 -1.668 336 H ILE 45 H ILE 45 -12.993 -9.289 0.509 337 HA ILE 45 HA ILE 45 -13.886 -12.009 0.726 338 HB ILE 45 HB ILE 45 -15.461 -9.521 1.385 339 HG12 ILE 45 HG12 ILE 45 -13.613 -11.110 3.182 340 HG13 ILE 45 HG13 ILE 45 -13.234 -9.531 2.501 341 HG21 ILE 45 HG21 ILE 45 -15.641 -12.359 2.391 342 HG22 ILE 45 HG22 ILE 45 -16.774 -11.569 1.295 343 HG23 ILE 45 HG23 ILE 45 -16.620 -11.007 2.961 344 HD11 ILE 45 HD11 ILE 45 -15.067 -8.541 3.742 345 HD12 ILE 45 HD12 ILE 45 -13.955 -9.379 4.823 346 HD13 ILE 45 HD13 ILE 45 -15.496 -10.122 4.393 347 H SER 46 H SER 46 -15.543 -9.145 -0.606 348 HA SER 46 HA SER 46 -16.960 -10.907 -2.469 349 HB2 SER 46 HB2 SER 46 -18.379 -8.809 -2.792 350 HB3 SER 46 HB3 SER 46 -18.453 -9.562 -1.199 351 HG SER 46 HG SER 46 -18.118 -7.173 -1.350 352 H GLY 47 H GLY 47 -14.144 -9.956 -2.774 353 HA2 GLY 47 HA2 GLY 47 -12.936 -9.491 -4.744 354 HA3 GLY 47 HA3 GLY 47 -14.396 -8.803 -5.448 355 H PHE 48 H PHE 48 -14.370 -7.601 -2.479 356 HA PHE 48 HA PHE 48 -12.588 -5.337 -3.091 357 HB2 PHE 48 HB2 PHE 48 -15.260 -5.166 -1.672 358 HB3 PHE 48 HB3 PHE 48 -14.193 -3.823 -2.067 359 HD1 PHE 48 HD2 PHE 48 -13.792 -3.288 -4.506 360 HD2 PHE 48 HD1 PHE 48 -16.868 -5.905 -3.176 361 HE1 PHE 48 HE2 PHE 48 -14.953 -3.008 -6.656 362 HE2 PHE 48 HE1 PHE 48 -18.035 -5.632 -5.325 363 HZ PHE 48 HZ PHE 48 -17.079 -4.185 -7.068 364 H ILE 49 H ILE 49 -12.126 -4.073 -1.022 365 HA ILE 49 HA ILE 49 -11.964 -5.867 1.294 366 HB ILE 49 HB ILE 49 -9.750 -5.093 1.868 367 HG12 ILE 49 HG12 ILE 49 -9.892 -2.815 0.884 368 HG13 ILE 49 HG13 ILE 49 -8.400 -3.646 0.469 369 HG21 ILE 49 HG21 ILE 49 -8.449 -6.133 0.078 370 HG22 ILE 49 HG22 ILE 49 -9.861 -6.062 -0.977 371 HG23 ILE 49 HG23 ILE 49 -9.898 -7.058 0.478 372 HD11 ILE 49 HD11 ILE 49 -9.294 -4.133 -1.751 373 HD12 ILE 49 HD12 ILE 49 -9.285 -2.402 -1.418 374 HD13 ILE 49 HD13 ILE 49 -10.795 -3.310 -1.326 375 H THR 50 H THR 50 -10.985 -4.293 3.184 376 HA THR 50 HA THR 50 -12.278 -1.709 3.104 377 HB THR 50 HB THR 50 -14.085 -3.239 3.845 378 HG1 THR 50 HG1 THR 50 -14.738 -1.926 5.463 379 HG21 THR 50 HG21 THR 50 -12.257 -3.830 6.171 380 HG22 THR 50 HG22 THR 50 -12.732 -4.966 4.907 381 HG23 THR 50 HG23 THR 50 -13.939 -4.339 6.029 382 H GLY 51 H GLY 51 -12.040 -0.870 5.623 383 HA2 GLY 51 HA2 GLY 51 -9.292 -0.350 5.860 384 HA3 GLY 51 HA3 GLY 51 -10.502 0.008 7.082 385 H ASP 52 H ASP 52 -11.369 -2.495 7.791 386 HA ASP 52 HA ASP 52 -9.357 -3.346 9.562 387 HB2 ASP 52 HB2 ASP 52 -11.737 -3.662 10.029 388 HB3 ASP 52 HB3 ASP 52 -11.860 -4.802 8.692 389 H GLN 53 H GLN 53 -10.352 -4.583 6.410 390 HA GLN 53 HA GLN 53 -8.770 -6.922 6.460 391 HB2 GLN 53 HB2 GLN 53 -9.859 -5.266 4.188 392 HB3 GLN 53 HB3 GLN 53 -8.905 -6.720 3.920 393 HG2 GLN 53 HG2 GLN 53 -11.451 -6.625 5.513 394 HG3 GLN 53 HG3 GLN 53 -11.349 -7.083 3.813 395 HE21 GLN 53 HE21 GLN 53 -8.833 -8.495 4.104 396 HE22 GLN 53 HE22 GLN 53 -9.189 -9.963 4.936 397 H ALA 54 H ALA 54 -8.133 -3.671 5.160 398 HA ALA 54 HA ALA 54 -5.482 -4.120 4.351 399 HB1 ALA 54 HB1 ALA 54 -6.688 -1.571 5.424 400 HB2 ALA 54 HB2 ALA 54 -6.774 -2.117 3.748 401 HB3 ALA 54 HB3 ALA 54 -5.214 -1.705 4.466 402 H ARG 55 H ARG 55 -6.852 -3.037 7.393 403 HA ARG 55 HA ARG 55 -4.609 -2.515 8.901 404 HB2 ARG 55 HB2 ARG 55 -6.902 -2.073 9.595 405 HB3 ARG 55 HB3 ARG 55 -7.234 -3.790 9.691 406 HG2 ARG 55 HG2 ARG 55 -5.550 -3.926 11.534 407 HG3 ARG 55 HG3 ARG 55 -5.470 -2.159 11.498 408 HD2 ARG 55 HD2 ARG 55 -7.933 -2.101 11.823 409 HD3 ARG 55 HD3 ARG 55 -7.915 -3.851 12.004 410 HE ARG 55 HE ARG 55 -6.238 -2.305 13.824 411 HH11 ARG 55 HH11 ARG 55 -9.183 -4.117 13.260 412 HH12 ARG 55 HH12 ARG 55 -9.585 -4.250 14.944 413 HH21 ARG 55 HH21 ARG 55 -6.766 -2.470 16.050 414 HH22 ARG 55 HH22 ARG 55 -8.221 -3.294 16.534 415 H ASN 56 H ASN 56 -6.171 -5.640 8.326 416 HA ASN 56 HA ASN 56 -4.340 -7.084 9.980 417 HB2 ASN 56 HB2 ASN 56 -6.533 -7.853 8.088 418 HB3 ASN 56 HB3 ASN 56 -5.412 -9.075 8.680 419 HD21 ASN 56 HD21 ASN 56 -7.914 -6.812 9.552 420 HD22 ASN 56 HD22 ASN 56 -8.226 -7.463 11.130 421 H PHE 57 H PHE 57 -4.770 -6.737 6.462 422 HA PHE 57 HA PHE 57 -2.700 -8.440 5.669 423 HB2 PHE 57 HB2 PHE 57 -4.370 -7.609 4.099 424 HB3 PHE 57 HB3 PHE 57 -3.736 -5.973 4.272 425 HD1 PHE 57 HD2 PHE 57 -3.054 -9.333 2.945 426 HD2 PHE 57 HD1 PHE 57 -1.752 -5.296 3.176 427 HE1 PHE 57 HE2 PHE 57 -1.424 -9.759 1.152 428 HE2 PHE 57 HE1 PHE 57 -0.126 -5.715 1.405 429 HZ PHE 57 HZ PHE 57 0.048 -7.941 0.375 430 H PHE 58 H PHE 58 -2.605 -4.937 6.297 431 HA PHE 58 HA PHE 58 0.060 -4.551 5.513 432 HB2 PHE 58 HB2 PHE 58 -1.812 -3.080 7.339 433 HB3 PHE 58 HB3 PHE 58 -0.130 -2.580 7.222 434 HD1 PHE 58 HD1 PHE 58 -2.468 -3.790 4.580 435 HD2 PHE 58 HD2 PHE 58 -0.143 -0.568 6.098 436 HE1 PHE 58 HE1 PHE 58 -3.014 -2.461 2.584 437 HE2 PHE 58 HE2 PHE 58 -0.684 0.768 4.106 438 HZ PHE 58 HZ PHE 58 -2.123 -0.177 2.345 439 H PHE 59 H PHE 59 -1.344 -5.437 8.634 440 HA PHE 59 HA PHE 59 1.120 -5.362 10.062 441 HB2 PHE 59 HB2 PHE 59 -1.189 -5.196 11.075 442 HB3 PHE 59 HB3 PHE 59 -1.369 -6.922 10.782 443 HD1 PHE 59 HD1 PHE 59 0.795 -4.454 12.488 444 HD2 PHE 59 HD2 PHE 59 -0.649 -8.452 12.382 445 HE1 PHE 59 HE1 PHE 59 1.878 -4.896 14.651 446 HE2 PHE 59 HE2 PHE 59 0.435 -8.905 14.543 447 HZ PHE 59 HZ PHE 59 1.702 -7.127 15.682 448 H GLN 60 H GLN 60 -0.656 -7.801 8.302 449 HA GLN 60 HA GLN 60 0.827 -10.058 9.155 450 HB2 GLN 60 HB2 GLN 60 -1.429 -10.167 8.158 451 HB3 GLN 60 HB3 GLN 60 -0.770 -9.629 6.622 452 HG2 GLN 60 HG2 GLN 60 0.568 -11.989 7.681 453 HG3 GLN 60 HG3 GLN 60 -1.156 -12.219 7.397 454 HE21 GLN 60 HE21 GLN 60 1.928 -11.548 5.933 455 HE22 GLN 60 HE22 GLN 60 1.431 -11.814 4.293 456 H SER 61 H SER 61 1.437 -7.544 6.905 457 HA SER 61 HA SER 61 3.220 -8.936 5.187 458 HB2 SER 61 HB2 SER 61 2.962 -5.968 5.729 459 HB3 SER 61 HB3 SER 61 3.837 -6.689 4.378 460 HG SER 61 HG SER 61 1.059 -7.051 4.886 461 H GLY 62 H GLY 62 3.541 -7.642 8.350 462 HA2 GLY 62 HA2 GLY 62 5.396 -8.333 9.694 463 HA3 GLY 62 HA3 GLY 62 6.404 -8.315 8.255 464 H LEU 63 H LEU 63 4.270 -5.662 8.751 465 HA LEU 63 HA LEU 63 6.561 -4.006 9.571 466 HB2 LEU 63 HB2 LEU 63 4.106 -3.328 7.957 467 HB3 LEU 63 HB3 LEU 63 5.188 -2.109 8.604 468 HG LEU 63 HG LEU 63 6.008 -4.267 6.658 469 HD11 LEU 63 HD11 LEU 63 5.420 -1.347 6.193 470 HD12 LEU 63 HD12 LEU 63 4.456 -2.707 5.617 471 HD13 LEU 63 HD13 LEU 63 6.092 -2.464 5.003 472 HD21 LEU 63 HD21 LEU 63 8.034 -2.893 6.417 473 HD22 LEU 63 HD22 LEU 63 7.839 -3.512 8.056 474 HD23 LEU 63 HD23 LEU 63 7.448 -1.829 7.698 475 HA PRO 64 HA PRO 64 4.425 -3.108 13.362 476 HB2 PRO 64 HB2 PRO 64 5.793 -0.496 13.287 477 HB3 PRO 64 HB3 PRO 64 5.910 -1.793 14.480 478 HG2 PRO 64 HG2 PRO 64 7.921 -1.266 12.784 479 HG3 PRO 64 HG3 PRO 64 7.540 -2.922 13.296 480 HD2 PRO 64 HD2 PRO 64 6.864 -1.525 10.733 481 HD3 PRO 64 HD3 PRO 64 7.423 -3.191 10.992 482 H GLN 65 H GLN 65 2.797 -1.743 14.184 483 HA GLN 65 HA GLN 65 0.955 -0.883 12.286 484 HB2 GLN 65 HB2 GLN 65 0.397 -1.613 14.569 485 HB3 GLN 65 HB3 GLN 65 1.061 -0.113 15.197 486 HG2 GLN 65 HG2 GLN 65 -0.641 1.173 14.169 487 HG3 GLN 65 HG3 GLN 65 -1.214 -0.212 13.240 488 HE21 GLN 65 HE21 GLN 65 -1.096 1.297 16.358 489 HE22 GLN 65 HE22 GLN 65 -2.323 0.327 17.101 490 HA PRO 66 HA PRO 66 2.250 3.769 13.330 491 HB2 PRO 66 HB2 PRO 66 4.997 3.918 13.743 492 HB3 PRO 66 HB3 PRO 66 3.766 4.074 14.998 493 HG2 PRO 66 HG2 PRO 66 5.397 1.696 14.225 494 HG3 PRO 66 HG3 PRO 66 4.905 2.244 15.837 495 HD2 PRO 66 HD2 PRO 66 3.677 0.193 14.639 496 HD3 PRO 66 HD3 PRO 66 2.767 1.360 15.620 497 H VAL 67 H VAL 67 4.161 1.296 11.804 498 HA VAL 67 HA VAL 67 5.135 3.001 9.681 499 HB VAL 67 HB VAL 67 5.170 -0.008 10.036 500 HG11 VAL 67 HG11 VAL 67 6.713 -0.096 8.150 501 HG12 VAL 67 HG12 VAL 67 6.516 1.637 7.895 502 HG13 VAL 67 HG13 VAL 67 5.149 0.550 7.653 503 HG21 VAL 67 HG21 VAL 67 7.341 2.072 10.274 504 HG22 VAL 67 HG22 VAL 67 7.567 0.329 10.427 505 HG23 VAL 67 HG23 VAL 67 6.581 1.197 11.602 506 H LEU 68 H LEU 68 2.596 0.650 10.200 507 HA LEU 68 HA LEU 68 1.623 0.418 7.571 508 HB2 LEU 68 HB2 LEU 68 0.045 0.222 10.134 509 HB3 LEU 68 HB3 LEU 68 -0.376 -0.484 8.587 510 HG LEU 68 HG LEU 68 1.921 -1.281 10.368 511 HD11 LEU 68 HD11 LEU 68 0.731 -3.388 10.563 512 HD12 LEU 68 HD12 LEU 68 -0.569 -2.762 9.547 513 HD13 LEU 68 HD13 LEU 68 -0.261 -2.045 11.130 514 HD21 LEU 68 HD21 LEU 68 1.136 -2.365 7.667 515 HD22 LEU 68 HD22 LEU 68 2.365 -3.038 8.736 516 HD23 LEU 68 HD23 LEU 68 2.588 -1.434 8.038 517 H ALA 69 H ALA 69 0.554 2.408 10.278 518 HA ALA 69 HA ALA 69 -1.595 3.690 9.101 519 HB1 ALA 69 HB1 ALA 69 -1.105 3.810 11.482 520 HB2 ALA 69 HB2 ALA 69 -1.312 5.423 10.797 521 HB3 ALA 69 HB3 ALA 69 0.307 4.816 11.154 522 H GLN 70 H GLN 70 1.833 4.498 8.905 523 HA GLN 70 HA GLN 70 1.511 7.002 7.652 524 HB2 GLN 70 HB2 GLN 70 3.716 5.111 8.182 525 HB3 GLN 70 HB3 GLN 70 3.954 6.196 6.831 526 HG2 GLN 70 HG2 GLN 70 3.438 6.938 9.692 527 HG3 GLN 70 HG3 GLN 70 4.921 7.183 8.771 528 HE21 GLN 70 HE21 GLN 70 4.995 8.826 7.206 529 HE22 GLN 70 HE22 GLN 70 3.837 10.108 7.191 530 H ILE 71 H ILE 71 1.830 3.708 6.428 531 HA ILE 71 HA ILE 71 2.021 4.441 3.676 532 HB ILE 71 HB ILE 71 1.098 1.843 4.928 533 HG12 ILE 71 HG12 ILE 71 3.742 2.512 3.632 534 HG13 ILE 71 HG13 ILE 71 3.469 2.574 5.367 535 HG21 ILE 71 HG21 ILE 71 0.227 2.073 2.667 536 HG22 ILE 71 HG22 ILE 71 1.494 0.848 2.723 537 HG23 ILE 71 HG23 ILE 71 1.844 2.448 2.067 538 HD11 ILE 71 HD11 ILE 71 2.958 0.190 5.372 539 HD12 ILE 71 HD12 ILE 71 4.561 0.507 4.707 540 HD13 ILE 71 HD13 ILE 71 3.215 0.131 3.628 541 H TRP 72 H TRP 72 -0.608 3.402 5.780 542 HA TRP 72 HA TRP 72 -2.645 3.344 3.856 543 HB2 TRP 72 HB2 TRP 72 -2.793 2.249 6.045 544 HB3 TRP 72 HB3 TRP 72 -2.817 3.819 6.838 545 HD1 TRP 72 HD1 TRP 72 -4.958 3.049 3.730 546 HE1 TRP 72 HE1 TRP 72 -7.434 3.170 4.416 547 HE3 TRP 72 HE3 TRP 72 -4.367 3.655 8.759 548 HZ2 TRP 72 HZ2 TRP 72 -8.938 3.453 6.790 549 HZ3 TRP 72 HZ3 TRP 72 -6.374 3.824 10.173 550 HH2 TRP 72 HH2 TRP 72 -8.613 3.733 9.205 551 H ALA 73 H ALA 73 -1.559 5.941 6.022 552 HA ALA 73 HA ALA 73 -3.641 7.747 5.505 553 HB1 ALA 73 HB1 ALA 73 -2.207 9.446 6.447 554 HB2 ALA 73 HB2 ALA 73 -0.791 8.422 6.218 555 HB3 ALA 73 HB3 ALA 73 -2.040 7.954 7.373 556 H LEU 74 H LEU 74 -0.678 7.063 3.785 557 HA LEU 74 HA LEU 74 -0.969 9.237 1.911 558 HB2 LEU 74 HB2 LEU 74 0.927 6.947 2.266 559 HB3 LEU 74 HB3 LEU 74 0.907 7.845 0.769 560 HG LEU 74 HG LEU 74 1.457 9.003 3.498 561 HD11 LEU 74 HD11 LEU 74 3.737 9.268 2.677 562 HD12 LEU 74 HD12 LEU 74 3.292 8.481 1.164 563 HD13 LEU 74 HD13 LEU 74 3.259 7.570 2.673 564 HD21 LEU 74 HD21 LEU 74 1.512 10.259 0.757 565 HD22 LEU 74 HD22 LEU 74 2.047 11.030 2.251 566 HD23 LEU 74 HD23 LEU 74 0.350 10.602 2.038 567 H ALA 75 H ALA 75 -1.774 5.890 2.127 568 HA ALA 75 HA ALA 75 -1.830 5.227 -0.594 569 HB1 ALA 75 HB1 ALA 75 -3.326 3.971 1.694 570 HB2 ALA 75 HB2 ALA 75 -1.687 3.572 1.180 571 HB3 ALA 75 HB3 ALA 75 -3.052 3.243 0.111 572 H ASP 76 H ASP 76 -4.640 5.864 1.577 573 HA ASP 76 HA ASP 76 -6.337 5.866 -0.723 574 HB2 ASP 76 HB2 ASP 76 -8.157 6.379 0.870 575 HB3 ASP 76 HB3 ASP 76 -7.272 4.928 1.273 576 H MET 77 H MET 77 -5.820 7.455 -2.027 577 HA MET 77 HA MET 77 -5.177 10.081 -1.343 578 HB2 MET 77 HB2 MET 77 -6.386 8.976 -3.880 579 HB3 MET 77 HB3 MET 77 -5.759 10.613 -3.715 580 HG2 MET 77 HG2 MET 77 -3.546 9.774 -3.282 581 HG3 MET 77 HG3 MET 77 -4.137 8.115 -3.274 582 HE1 MET 77 HE1 MET 77 -6.156 8.039 -5.655 583 HE2 MET 77 HE2 MET 77 -4.920 6.801 -5.424 584 HE3 MET 77 HE3 MET 77 -5.129 7.558 -7.004 585 H ASN 78 H ASN 78 -8.284 8.527 -1.752 586 HA ASN 78 HA ASN 78 -9.738 11.024 -1.521 587 HB2 ASN 78 HB2 ASN 78 -11.748 9.620 -1.572 588 HB3 ASN 78 HB3 ASN 78 -10.660 9.198 -2.888 589 HD21 ASN 78 HD21 ASN 78 -12.778 7.647 -1.609 590 HD22 ASN 78 HD22 ASN 78 -12.021 6.194 -1.045 591 H ASN 79 H ASN 79 -8.212 8.885 0.518 592 HA ASN 79 HA ASN 79 -8.204 8.409 2.730 593 HB2 ASN 79 HB2 ASN 79 -7.509 10.845 2.577 594 HB3 ASN 79 HB3 ASN 79 -9.146 11.256 3.075 595 HD21 ASN 79 HD21 ASN 79 -7.300 8.483 4.197 596 HD22 ASN 79 HD22 ASN 79 -7.157 9.017 5.836 597 H ASP 80 H ASP 80 -10.197 7.086 2.092 598 HA ASP 80 HA ASP 80 -12.626 8.090 3.391 599 HB2 ASP 80 HB2 ASP 80 -13.861 6.631 2.057 600 HB3 ASP 80 HB3 ASP 80 -12.556 7.125 0.986 601 H GLY 81 H GLY 81 -10.038 5.913 3.810 602 HA2 GLY 81 HA2 GLY 81 -9.549 4.889 5.865 603 HA3 GLY 81 HA3 GLY 81 -11.238 5.026 6.317 604 H ARG 82 H ARG 82 -11.109 3.788 3.210 605 HA ARG 82 HA ARG 82 -11.054 1.026 4.248 606 HB2 ARG 82 HB2 ARG 82 -12.851 2.182 2.120 607 HB3 ARG 82 HB3 ARG 82 -12.647 0.459 2.376 608 HG2 ARG 82 HG2 ARG 82 -14.625 1.001 3.476 609 HG3 ARG 82 HG3 ARG 82 -13.421 0.881 4.760 610 HD2 ARG 82 HD2 ARG 82 -13.243 3.255 4.914 611 HD3 ARG 82 HD3 ARG 82 -14.225 3.477 3.468 612 HE ARG 82 HE ARG 82 -15.508 2.103 5.684 613 HH11 ARG 82 HH11 ARG 82 -14.944 5.116 4.015 614 HH12 ARG 82 HH12 ARG 82 -16.377 5.890 4.624 615 HH21 ARG 82 HH21 ARG 82 -17.389 3.076 6.498 616 HH22 ARG 82 HH22 ARG 82 -17.780 4.715 6.062 617 H MET 83 H MET 83 -10.437 3.148 1.554 618 HA MET 83 HA MET 83 -9.034 3.072 -0.218 619 HB2 MET 83 HB2 MET 83 -7.840 0.664 1.160 620 HB3 MET 83 HB3 MET 83 -7.201 1.395 -0.301 621 HG2 MET 83 HG2 MET 83 -6.908 3.512 0.976 622 HG3 MET 83 HG3 MET 83 -7.362 2.625 2.431 623 HE1 MET 83 HE1 MET 83 -4.504 -0.107 2.540 624 HE2 MET 83 HE2 MET 83 -6.022 -0.253 1.656 625 HE3 MET 83 HE3 MET 83 -6.008 0.447 3.275 626 H ASP 84 H ASP 84 -9.516 2.492 -2.217 627 HA ASP 84 HA ASP 84 -10.797 -0.110 -2.659 628 HB2 ASP 84 HB2 ASP 84 -11.835 2.031 -3.550 629 HB3 ASP 84 HB3 ASP 84 -10.453 2.176 -4.628 630 H GLN 85 H GLN 85 -10.061 -0.858 -5.100 631 HA GLN 85 HA GLN 85 -7.455 -1.876 -4.734 632 HB2 GLN 85 HB2 GLN 85 -9.141 -1.719 -7.247 633 HB3 GLN 85 HB3 GLN 85 -7.676 -2.671 -7.087 634 HG2 GLN 85 HG2 GLN 85 -9.416 -4.199 -6.817 635 HG3 GLN 85 HG3 GLN 85 -8.856 -3.876 -5.179 636 HE21 GLN 85 HE21 GLN 85 -10.214 -2.827 -3.740 637 HE22 GLN 85 HE22 GLN 85 -11.883 -2.521 -4.080 638 H VAL 86 H VAL 86 -8.638 1.022 -6.245 639 HA VAL 86 HA VAL 86 -6.343 1.673 -7.770 640 HB VAL 86 HB VAL 86 -8.343 3.554 -6.499 641 HG11 VAL 86 HG11 VAL 86 -6.317 4.711 -7.166 642 HG12 VAL 86 HG12 VAL 86 -7.644 5.128 -8.251 643 HG13 VAL 86 HG13 VAL 86 -6.406 3.984 -8.769 644 HG21 VAL 86 HG21 VAL 86 -8.306 2.294 -9.238 645 HG22 VAL 86 HG22 VAL 86 -9.442 3.532 -8.699 646 HG23 VAL 86 HG23 VAL 86 -9.444 1.941 -7.937 647 H GLU 87 H GLU 87 -7.411 2.775 -4.554 648 HA GLU 87 HA GLU 87 -5.036 4.169 -3.937 649 HB2 GLU 87 HB2 GLU 87 -7.191 3.014 -2.163 650 HB3 GLU 87 HB3 GLU 87 -5.857 3.983 -1.556 651 HG2 GLU 87 HG2 GLU 87 -7.800 5.364 -1.786 652 HG3 GLU 87 HG3 GLU 87 -6.597 5.850 -2.978 653 H PHE 88 H PHE 88 -6.016 0.824 -3.506 654 HA PHE 88 HA PHE 88 -3.822 0.094 -1.853 655 HB2 PHE 88 HB2 PHE 88 -5.863 -1.283 -1.990 656 HB3 PHE 88 HB3 PHE 88 -5.494 -1.659 -3.673 657 HD1 PHE 88 HD1 PHE 88 -4.187 -1.964 -0.230 658 HD2 PHE 88 HD2 PHE 88 -4.112 -3.460 -4.208 659 HE1 PHE 88 HE1 PHE 88 -2.788 -3.846 0.513 660 HE2 PHE 88 HE2 PHE 88 -2.718 -5.350 -3.475 661 HZ PHE 88 HZ PHE 88 -2.053 -5.544 -1.110 662 H SER 89 H SER 89 -4.267 0.405 -5.295 663 HA SER 89 HA SER 89 -2.107 -1.185 -6.137 664 HB2 SER 89 HB2 SER 89 -3.971 -0.374 -7.596 665 HB3 SER 89 HB3 SER 89 -3.245 1.233 -7.559 666 HG SER 89 HG SER 89 -1.589 0.533 -8.758 667 H ILE 90 H ILE 90 -2.279 2.068 -4.891 668 HA ILE 90 HA ILE 90 0.525 2.534 -5.580 669 HB ILE 90 HB ILE 90 -1.039 4.377 -5.993 670 HG12 ILE 90 HG12 ILE 90 0.855 5.015 -3.724 671 HG13 ILE 90 HG13 ILE 90 1.315 4.873 -5.418 672 HG21 ILE 90 HG21 ILE 90 -1.509 4.342 -3.019 673 HG22 ILE 90 HG22 ILE 90 -2.683 3.962 -4.281 674 HG23 ILE 90 HG23 ILE 90 -2.057 5.603 -4.121 675 HD11 ILE 90 HD11 ILE 90 -0.576 6.906 -4.257 676 HD12 ILE 90 HD12 ILE 90 -0.136 6.763 -5.961 677 HD13 ILE 90 HD13 ILE 90 1.089 7.194 -4.767 678 H ALA 91 H ALA 91 -1.497 1.616 -2.945 679 HA ALA 91 HA ALA 91 0.213 2.355 -0.798 680 HB1 ALA 91 HB1 ALA 91 -2.167 1.922 -0.475 681 HB2 ALA 91 HB2 ALA 91 -1.188 0.882 0.557 682 HB3 ALA 91 HB3 ALA 91 -1.923 0.230 -0.906 683 H MET 92 H MET 92 -0.104 -0.539 -2.777 684 HA MET 92 HA MET 92 1.411 -2.278 -1.170 685 HB2 MET 92 HB2 MET 92 1.570 -3.709 -3.142 686 HB3 MET 92 HB3 MET 92 -0.057 -3.068 -2.978 687 HG2 MET 92 HG2 MET 92 0.335 -2.864 -5.233 688 HG3 MET 92 HG3 MET 92 0.745 -1.258 -4.636 689 HE1 MET 92 HE1 MET 92 3.430 -1.394 -7.357 690 HE2 MET 92 HE2 MET 92 2.187 -0.443 -6.540 691 HE3 MET 92 HE3 MET 92 1.735 -1.873 -7.470 692 H LYS 93 H LYS 93 2.330 0.187 -3.406 693 HA LYS 93 HA LYS 93 4.992 -0.642 -3.907 694 HB2 LYS 93 HB2 LYS 93 3.382 1.219 -4.978 695 HB3 LYS 93 HB3 LYS 93 4.279 2.251 -3.878 696 HG2 LYS 93 HG2 LYS 93 5.515 0.499 -5.992 697 HG3 LYS 93 HG3 LYS 93 5.197 2.223 -6.159 698 HD2 LYS 93 HD2 LYS 93 6.645 2.541 -4.101 699 HD3 LYS 93 HD3 LYS 93 7.126 0.856 -4.302 700 HE2 LYS 93 HE2 LYS 93 7.530 3.122 -6.244 701 HE3 LYS 93 HE3 LYS 93 8.770 2.248 -5.348 702 HZ1 LYS 93 HZ1 LYS 93 7.937 0.207 -6.591 703 HZ2 LYS 93 HZ2 LYS 93 8.820 1.348 -7.484 704 HZ3 LYS 93 HZ3 LYS 93 7.136 1.298 -7.615 705 H LEU 94 H LEU 94 3.489 1.496 -1.521 706 HA LEU 94 HA LEU 94 5.907 2.337 -0.314 707 HB2 LEU 94 HB2 LEU 94 3.268 3.092 -0.167 708 HB3 LEU 94 HB3 LEU 94 3.534 2.342 1.393 709 HG LEU 94 HG LEU 94 5.478 3.842 1.727 710 HD11 LEU 94 HD11 LEU 94 4.465 5.173 -0.774 711 HD12 LEU 94 HD12 LEU 94 5.992 4.307 -0.603 712 HD13 LEU 94 HD13 LEU 94 5.721 5.803 0.291 713 HD21 LEU 94 HD21 LEU 94 2.849 5.214 1.200 714 HD22 LEU 94 HD22 LEU 94 4.155 5.840 2.209 715 HD23 LEU 94 HD23 LEU 94 3.298 4.373 2.683 716 H ILE 95 H ILE 95 3.624 -0.276 0.325 717 HA ILE 95 HA ILE 95 4.641 -1.141 2.790 718 HB ILE 95 HB ILE 95 3.471 -2.904 0.621 719 HG12 ILE 95 HG12 ILE 95 2.067 -1.449 2.876 720 HG13 ILE 95 HG13 ILE 95 1.994 -0.999 1.176 721 HG21 ILE 95 HG21 ILE 95 2.812 -4.356 2.504 722 HG22 ILE 95 HG22 ILE 95 3.669 -3.283 3.610 723 HG23 ILE 95 HG23 ILE 95 4.564 -4.175 2.380 724 HD11 ILE 95 HD11 ILE 95 0.893 -3.109 0.658 725 HD12 ILE 95 HD12 ILE 95 -0.003 -2.200 1.875 726 HD13 ILE 95 HD13 ILE 95 0.987 -3.578 2.355 727 H LYS 96 H LYS 96 5.478 -2.077 -0.521 728 HA LYS 96 HA LYS 96 7.443 -3.971 0.069 729 HB2 LYS 96 HB2 LYS 96 6.565 -3.814 -2.146 730 HB3 LYS 96 HB3 LYS 96 7.058 -2.134 -2.293 731 HG2 LYS 96 HG2 LYS 96 9.389 -2.795 -2.344 732 HG3 LYS 96 HG3 LYS 96 8.935 -4.483 -2.099 733 HD2 LYS 96 HD2 LYS 96 7.847 -4.578 -4.216 734 HD3 LYS 96 HD3 LYS 96 7.988 -2.834 -4.434 735 HE2 LYS 96 HE2 LYS 96 10.399 -3.021 -4.603 736 HE3 LYS 96 HE3 LYS 96 10.311 -4.752 -4.273 737 HZ1 LYS 96 HZ1 LYS 96 9.350 -5.167 -6.337 738 HZ2 LYS 96 HZ2 LYS 96 10.523 -4.002 -6.693 739 HZ3 LYS 96 HZ3 LYS 96 8.888 -3.557 -6.579 740 H LEU 97 H LEU 97 7.768 -0.483 -0.533 741 HA LEU 97 HA LEU 97 10.583 -0.427 -0.274 742 HB2 LEU 97 HB2 LEU 97 8.413 1.587 -0.382 743 HB3 LEU 97 HB3 LEU 97 9.945 2.108 0.289 744 HG LEU 97 HG LEU 97 9.689 2.612 -2.127 745 HD11 LEU 97 HD11 LEU 97 11.902 2.438 -1.172 746 HD12 LEU 97 HD12 LEU 97 11.899 1.756 -2.798 747 HD13 LEU 97 HD13 LEU 97 11.891 0.688 -1.395 748 HD21 LEU 97 HD21 LEU 97 9.801 -0.385 -2.454 749 HD22 LEU 97 HD22 LEU 97 9.866 0.803 -3.756 750 HD23 LEU 97 HD23 LEU 97 8.403 0.638 -2.784 751 H LYS 98 H LYS 98 7.974 0.169 2.068 752 HA LYS 98 HA LYS 98 9.822 0.990 4.089 753 HB2 LYS 98 HB2 LYS 98 6.921 0.197 4.329 754 HB3 LYS 98 HB3 LYS 98 7.884 0.890 5.630 755 HG2 LYS 98 HG2 LYS 98 8.330 2.830 4.025 756 HG3 LYS 98 HG3 LYS 98 7.001 2.174 3.070 757 HD2 LYS 98 HD2 LYS 98 6.109 3.875 4.477 758 HD3 LYS 98 HD3 LYS 98 5.571 2.321 5.116 759 HE2 LYS 98 HE2 LYS 98 7.311 2.398 6.810 760 HE3 LYS 98 HE3 LYS 98 7.915 3.915 6.144 761 HZ1 LYS 98 HZ1 LYS 98 5.215 3.512 7.323 762 HZ2 LYS 98 HZ2 LYS 98 5.825 4.965 6.708 763 HZ3 LYS 98 HZ3 LYS 98 6.517 4.281 8.090 764 H LEU 99 H LEU 99 8.457 -2.083 3.130 765 HA LEU 99 HA LEU 99 9.303 -3.629 5.318 766 HB2 LEU 99 HB2 LEU 99 8.909 -4.219 2.405 767 HB3 LEU 99 HB3 LEU 99 9.616 -5.431 3.453 768 HG LEU 99 HG LEU 99 6.918 -4.170 3.933 769 HD11 LEU 99 HD11 LEU 99 5.980 -6.265 3.101 770 HD12 LEU 99 HD12 LEU 99 7.597 -6.823 2.675 771 HD13 LEU 99 HD13 LEU 99 6.901 -5.432 1.846 772 HD21 LEU 99 HD21 LEU 99 6.625 -6.060 5.462 773 HD22 LEU 99 HD22 LEU 99 7.995 -5.055 5.934 774 HD23 LEU 99 HD23 LEU 99 8.269 -6.594 5.117 775 H GLN 100 H GLN 100 11.046 -2.246 2.625 776 HA GLN 100 HA GLN 100 13.468 -3.712 3.078 777 HB2 GLN 100 HB2 GLN 100 12.983 -1.167 1.518 778 HB3 GLN 100 HB3 GLN 100 14.462 -2.118 1.478 779 HG2 GLN 100 HG2 GLN 100 13.273 -3.986 0.508 780 HG3 GLN 100 HG3 GLN 100 11.751 -3.106 0.619 781 HE21 GLN 100 HE21 GLN 100 14.809 -3.360 -1.021 782 HE22 GLN 100 HE22 GLN 100 14.386 -2.362 -2.372 783 H GLY 101 H GLY 101 12.052 -0.799 4.297 784 HA2 GLY 101 HA2 GLY 101 12.822 -0.137 6.521 785 HA3 GLY 101 HA3 GLY 101 14.460 -0.422 5.960 786 H TYR 102 H TYR 102 11.712 1.430 4.626 787 HA TYR 102 HA TYR 102 13.400 3.831 4.777 788 HB2 TYR 102 HB2 TYR 102 11.480 3.132 2.547 789 HB3 TYR 102 HB3 TYR 102 12.379 4.632 2.688 790 HD1 TYR 102 HD1 TYR 102 14.984 4.407 2.754 791 HD2 TYR 102 HD2 TYR 102 12.373 1.375 1.315 792 HE1 TYR 102 HE1 TYR 102 16.841 3.417 1.475 793 HE2 TYR 102 HE2 TYR 102 14.220 0.378 0.042 794 HH TYR 102 HH TYR 102 17.431 1.135 0.549 795 H GLN 103 H GLN 103 12.199 5.833 4.930 796 HA GLN 103 HA GLN 103 9.498 5.495 6.050 797 HB2 GLN 103 HB2 GLN 103 11.044 5.707 7.906 798 HB3 GLN 103 HB3 GLN 103 11.769 7.134 7.187 799 HG2 GLN 103 HG2 GLN 103 10.335 7.767 9.005 800 HG3 GLN 103 HG3 GLN 103 9.654 8.342 7.487 801 HE21 GLN 103 HE21 GLN 103 8.419 7.793 10.098 802 HE22 GLN 103 HE22 GLN 103 7.140 6.674 9.786 803 H LEU 104 H LEU 104 8.029 6.954 5.379 804 HA LEU 104 HA LEU 104 8.979 9.336 3.951 805 HB2 LEU 104 HB2 LEU 104 6.833 7.422 3.029 806 HB3 LEU 104 HB3 LEU 104 7.058 9.023 2.356 807 HG LEU 104 HG LEU 104 9.481 8.186 1.859 808 HD11 LEU 104 HD11 LEU 104 7.981 5.573 2.044 809 HD12 LEU 104 HD12 LEU 104 9.304 6.082 3.096 810 HD13 LEU 104 HD13 LEU 104 9.600 5.795 1.380 811 HD21 LEU 104 HD21 LEU 104 8.747 7.415 -0.321 812 HD22 LEU 104 HD22 LEU 104 7.786 8.802 0.197 813 HD23 LEU 104 HD23 LEU 104 7.112 7.174 0.296 814 HA PRO 105 HA PRO 105 5.666 11.237 6.295 815 HB2 PRO 105 HB2 PRO 105 5.914 13.728 5.346 816 HB3 PRO 105 HB3 PRO 105 7.154 13.022 6.389 817 HG2 PRO 105 HG2 PRO 105 7.166 13.423 3.436 818 HG3 PRO 105 HG3 PRO 105 8.500 13.554 4.597 819 HD2 PRO 105 HD2 PRO 105 7.963 11.352 2.959 820 HD3 PRO 105 HD3 PRO 105 9.021 11.357 4.381 821 H SER 106 H SER 106 4.043 13.232 5.368 822 HA SER 106 HA SER 106 2.221 11.764 3.751 823 HB2 SER 106 HB2 SER 106 2.087 14.668 4.572 824 HB3 SER 106 HB3 SER 106 0.755 13.668 4.000 825 HG SER 106 HG SER 106 1.090 13.984 6.391 826 H ALA 107 H ALA 107 4.898 13.403 2.873 827 HA ALA 107 HA ALA 107 3.848 14.626 0.472 828 HB1 ALA 107 HB1 ALA 107 6.176 15.247 0.008 829 HB2 ALA 107 HB2 ALA 107 6.694 14.322 1.419 830 HB3 ALA 107 HB3 ALA 107 5.670 15.743 1.623 831 H LEU 108 H LEU 108 2.950 12.677 -0.438 832 HA LEU 108 HA LEU 108 4.632 10.519 -1.266 833 HB2 LEU 108 HB2 LEU 108 2.030 10.736 -0.855 834 HB3 LEU 108 HB3 LEU 108 2.008 11.246 -2.526 835 HG LEU 108 HG LEU 108 1.470 8.831 -2.044 836 HD11 LEU 108 HD11 LEU 108 2.671 8.004 -4.015 837 HD12 LEU 108 HD12 LEU 108 3.697 9.439 -3.973 838 HD13 LEU 108 HD13 LEU 108 1.969 9.599 -4.282 839 HD21 LEU 108 HD21 LEU 108 4.447 8.653 -1.635 840 HD22 LEU 108 HD22 LEU 108 3.330 7.291 -1.739 841 HD23 LEU 108 HD23 LEU 108 3.219 8.423 -0.390 842 HA PRO 109 HA PRO 109 6.399 12.544 -4.838 843 HB2 PRO 109 HB2 PRO 109 6.426 9.847 -6.063 844 HB3 PRO 109 HB3 PRO 109 7.764 10.966 -5.777 845 HG2 PRO 109 HG2 PRO 109 7.464 8.770 -4.288 846 HG3 PRO 109 HG3 PRO 109 8.029 10.293 -3.578 847 HD2 PRO 109 HD2 PRO 109 5.320 9.030 -3.447 848 HD3 PRO 109 HD3 PRO 109 6.224 9.895 -2.187 849 HA PRO 110 HA PRO 110 3.021 12.925 -7.671 850 HB2 PRO 110 HB2 PRO 110 4.215 14.271 -9.664 851 HB3 PRO 110 HB3 PRO 110 3.924 15.011 -8.086 852 HG2 PRO 110 HG2 PRO 110 6.445 13.840 -9.193 853 HG3 PRO 110 HG3 PRO 110 6.218 15.327 -8.256 854 HD2 PRO 110 HD2 PRO 110 7.082 12.960 -7.174 855 HD3 PRO 110 HD3 PRO 110 6.221 14.211 -6.256 856 H VAL 111 H VAL 111 5.826 11.132 -8.383 857 HA VAL 111 HA VAL 111 5.250 10.509 -11.107 858 HB VAL 111 HB VAL 111 7.072 8.997 -9.239 859 HG11 VAL 111 HG11 VAL 111 6.580 7.827 -11.311 860 HG12 VAL 111 HG12 VAL 111 8.252 8.387 -11.295 861 HG13 VAL 111 HG13 VAL 111 7.042 9.252 -12.241 862 HG21 VAL 111 HG21 VAL 111 7.644 11.371 -9.216 863 HG22 VAL 111 HG22 VAL 111 7.709 11.379 -10.978 864 HG23 VAL 111 HG23 VAL 111 8.877 10.431 -10.058 865 H MET 112 H MET 112 4.745 8.845 -8.023 866 HA MET 112 HA MET 112 3.846 6.390 -9.048 867 HB2 MET 112 HB2 MET 112 3.420 7.819 -6.443 868 HB3 MET 112 HB3 MET 112 2.560 6.324 -6.782 869 HG2 MET 112 HG2 MET 112 5.551 6.653 -6.793 870 HG3 MET 112 HG3 MET 112 4.597 5.967 -5.478 871 HE1 MET 112 HE1 MET 112 3.116 3.730 -5.758 872 HE2 MET 112 HE2 MET 112 3.063 2.792 -7.252 873 HE3 MET 112 HE3 MET 112 2.366 4.413 -7.202 874 H LYS 113 H LYS 113 2.118 9.341 -8.233 875 HA LYS 113 HA LYS 113 -0.427 8.154 -8.974 876 HB2 LYS 113 HB2 LYS 113 -1.301 10.439 -8.265 877 HB3 LYS 113 HB3 LYS 113 -0.547 9.464 -7.011 878 HG2 LYS 113 HG2 LYS 113 1.598 10.831 -7.764 879 HG3 LYS 113 HG3 LYS 113 0.368 11.993 -8.260 880 HD2 LYS 113 HD2 LYS 113 0.664 10.801 -5.502 881 HD3 LYS 113 HD3 LYS 113 1.150 12.426 -5.980 882 HE2 LYS 113 HE2 LYS 113 -1.150 13.009 -6.455 883 HE3 LYS 113 HE3 LYS 113 -1.669 11.363 -6.089 884 HZ1 LYS 113 HZ1 LYS 113 -1.134 11.642 -3.822 885 HZ2 LYS 113 HZ2 LYS 113 -1.977 13.049 -4.262 886 HZ3 LYS 113 HZ3 LYS 113 -0.288 13.083 -4.108 887 H GLN 114 H GLN 114 2.054 9.934 -10.390 888 HA GLN 114 HA GLN 114 2.441 10.595 -12.479 889 HB2 GLN 114 HB2 GLN 114 -0.231 9.355 -12.997 890 HB3 GLN 114 HB3 GLN 114 0.735 10.096 -14.260 891 HG2 GLN 114 HG2 GLN 114 2.577 8.525 -13.692 892 HG3 GLN 114 HG3 GLN 114 1.485 7.737 -12.555 893 HE21 GLN 114 HE21 GLN 114 2.806 6.718 -14.977 894 HE22 GLN 114 HE22 GLN 114 1.530 6.120 -15.981 895 H GLN 115 H GLN 115 -0.320 11.659 -10.930 896 HA GLN 115 HA GLN 115 0.028 14.304 -12.115 897 HB2 GLN 115 HB2 GLN 115 -1.816 13.284 -13.370 898 HB3 GLN 115 HB3 GLN 115 -2.656 12.924 -11.868 899 HG2 GLN 115 HG2 GLN 115 -2.783 15.357 -11.411 900 HG3 GLN 115 HG3 GLN 115 -2.055 15.655 -12.988 901 HE21 GLN 115 HE21 GLN 115 -4.885 14.571 -11.293 902 HE22 GLN 115 HE22 GLN 115 -5.971 14.629 -12.639 903 HA PRO 116 HA PRO 116 -0.514 15.018 -7.680 904 HB2 PRO 116 HB2 PRO 116 1.090 17.167 -7.534 905 HB3 PRO 116 HB3 PRO 116 1.740 15.523 -7.576 906 HG2 PRO 116 HG2 PRO 116 1.582 17.552 -9.753 907 HG3 PRO 116 HG3 PRO 116 2.851 16.376 -9.394 908 HD2 PRO 116 HD2 PRO 116 0.900 16.070 -11.343 909 HD3 PRO 116 HD3 PRO 116 1.855 14.752 -10.637 910 H VAL 117 H VAL 117 -2.273 16.058 -7.046 911 HA VAL 117 HA VAL 117 -3.568 17.933 -8.760 912 HB VAL 117 HB VAL 117 -5.230 18.146 -6.865 913 HG11 VAL 117 HG11 VAL 117 -6.150 15.896 -7.229 914 HG12 VAL 117 HG12 VAL 117 -4.607 15.384 -7.912 915 HG13 VAL 117 HG13 VAL 117 -5.567 16.618 -8.728 916 HG21 VAL 117 HG21 VAL 117 -3.548 15.945 -5.666 917 HG22 VAL 117 HG22 VAL 117 -5.113 16.498 -5.068 918 HG23 VAL 117 HG23 VAL 117 -3.720 17.578 -5.023 919 H ALA 118 H ALA 118 -2.896 19.908 -8.990 920 HA ALA 118 HA ALA 118 -1.295 21.205 -6.975 921 HB1 ALA 118 HB1 ALA 118 -1.051 23.002 -8.604 922 HB2 ALA 118 HB2 ALA 118 -2.272 22.250 -9.631 923 HB3 ALA 118 HB3 ALA 118 -0.736 21.433 -9.347 924 H ILE 119 H ILE 119 -2.849 21.349 -5.290 925 HA ILE 119 HA ILE 119 -5.098 23.150 -5.657 926 HB ILE 119 HB ILE 119 -4.077 21.842 -3.123 927 HG12 ILE 119 HG12 ILE 119 -6.359 21.020 -4.932 928 HG13 ILE 119 HG13 ILE 119 -4.792 20.222 -4.866 929 HG21 ILE 119 HG21 ILE 119 -6.315 22.359 -2.239 930 HG22 ILE 119 HG22 ILE 119 -6.693 23.217 -3.731 931 HG23 ILE 119 HG23 ILE 119 -5.419 23.814 -2.669 932 HD11 ILE 119 HD11 ILE 119 -5.200 19.606 -2.547 933 HD12 ILE 119 HD12 ILE 119 -6.471 18.999 -3.611 934 HD13 ILE 119 HD13 ILE 119 -6.766 20.416 -2.604 935 H SER 120 H SER 120 -2.031 23.012 -3.900 936 HA SER 120 HA SER 120 -2.042 25.954 -3.839 937 HB2 SER 120 HB2 SER 120 -2.309 25.021 -1.560 938 HB3 SER 120 HB3 SER 120 -0.832 24.085 -1.778 939 HG SER 120 HG SER 120 -0.938 26.921 -1.976 940 H SER 121 H SER 121 -0.787 26.384 -5.562 941 HA SER 121 HA SER 121 1.974 25.428 -5.489 942 HB2 SER 121 HB2 SER 121 0.216 25.302 -7.956 943 HB3 SER 121 HB3 SER 121 1.949 24.978 -7.924 944 HG SER 121 HG SER 121 1.068 23.421 -6.102 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -10.073 22.325 8.528 2 H2 MET 1 H2 MET 1 -9.403 23.565 7.591 3 H3 MET 1 H3 MET 1 -9.939 23.894 9.166 4 HA MET 1 HA MET 1 -7.590 23.774 9.224 5 HB2 MET 1 HB2 MET 1 -8.809 22.719 11.099 6 HB3 MET 1 HB3 MET 1 -8.782 21.182 10.250 7 HG2 MET 1 HG2 MET 1 -6.242 22.612 10.934 8 HG3 MET 1 HG3 MET 1 -7.073 21.612 12.121 9 HE1 MET 1 HE1 MET 1 -7.358 18.993 11.928 10 HE2 MET 1 HE2 MET 1 -6.921 18.065 10.494 11 HE3 MET 1 HE3 MET 1 -8.240 19.235 10.420 12 H GLY 2 H GLY 2 -8.967 20.788 7.833 13 HA2 GLY 2 HA2 GLY 2 -6.855 20.761 5.858 14 HA3 GLY 2 HA3 GLY 2 -6.768 19.443 7.019 15 H HIS 3 H HIS 3 -7.538 19.875 4.022 16 HA HIS 3 HA HIS 3 -10.152 18.722 3.833 17 HB2 HIS 3 HB2 HIS 3 -7.896 18.909 1.821 18 HB3 HIS 3 HB3 HIS 3 -9.491 18.269 1.450 19 HD1 HIS 3 HD1 HIS 3 -7.732 21.486 2.312 20 HD2 HIS 3 HD2 HIS 3 -11.433 20.170 0.942 21 HE1 HIS 3 HE1 HIS 3 -8.957 23.554 1.567 22 HE2 HIS 3 HE2 HIS 3 -11.118 22.717 0.579 23 H HIS 4 H HIS 4 -10.464 16.784 4.743 24 HA HIS 4 HA HIS 4 -8.379 14.838 4.969 25 HB2 HIS 4 HB2 HIS 4 -10.186 15.068 6.658 26 HB3 HIS 4 HB3 HIS 4 -11.353 14.524 5.459 27 HD1 HIS 4 HD1 HIS 4 -11.793 12.074 5.406 28 HD2 HIS 4 HD2 HIS 4 -8.174 12.982 7.250 29 HE1 HIS 4 HE1 HIS 4 -10.928 9.897 6.317 30 HE2 HIS 4 HE2 HIS 4 -8.702 10.453 7.365 31 H HIS 5 H HIS 5 -11.479 14.909 3.194 32 HA HIS 5 HA HIS 5 -10.418 12.712 1.565 33 HB2 HIS 5 HB2 HIS 5 -12.641 12.032 1.050 34 HB3 HIS 5 HB3 HIS 5 -12.571 12.296 2.785 35 HD1 HIS 5 HD1 HIS 5 -14.593 12.998 -0.074 36 HD2 HIS 5 HD2 HIS 5 -13.706 14.979 3.473 37 HE1 HIS 5 HE1 HIS 5 -16.430 14.696 0.234 38 HE2 HIS 5 HE2 HIS 5 -15.954 15.771 2.464 39 H HIS 6 H HIS 6 -9.886 13.020 -0.427 40 HA HIS 6 HA HIS 6 -10.849 15.422 -1.837 41 HB2 HIS 6 HB2 HIS 6 -8.338 13.773 -2.177 42 HB3 HIS 6 HB3 HIS 6 -8.874 14.932 -3.385 43 HD1 HIS 6 HD1 HIS 6 -7.071 14.671 -0.175 44 HD2 HIS 6 HD2 HIS 6 -8.829 17.657 -2.490 45 HE1 HIS 6 HE1 HIS 6 -6.134 16.845 0.688 46 HE2 HIS 6 HE2 HIS 6 -7.145 18.635 -0.781 47 H HIS 7 H HIS 7 -10.841 14.950 -4.353 48 HA HIS 7 HA HIS 7 -12.011 12.281 -4.788 49 HB2 HIS 7 HB2 HIS 7 -13.577 14.455 -4.632 50 HB3 HIS 7 HB3 HIS 7 -13.126 14.563 -6.332 51 HD1 HIS 7 HD1 HIS 7 -15.464 12.957 -4.083 52 HD2 HIS 7 HD2 HIS 7 -13.833 12.107 -7.812 53 HE1 HIS 7 HE1 HIS 7 -16.975 11.217 -5.102 54 HE2 HIS 7 HE2 HIS 7 -16.078 10.874 -7.436 55 H HIS 8 H HIS 8 -10.670 11.266 -6.123 56 HA HIS 8 HA HIS 8 -9.346 12.818 -8.250 57 HB2 HIS 8 HB2 HIS 8 -7.856 11.582 -6.706 58 HB3 HIS 8 HB3 HIS 8 -8.655 10.080 -7.145 59 HD1 HIS 8 HD1 HIS 8 -6.775 8.875 -8.276 60 HD2 HIS 8 HD2 HIS 8 -7.308 12.731 -9.753 61 HE1 HIS 8 HE1 HIS 8 -5.255 9.054 -10.272 62 HE2 HIS 8 HE2 HIS 8 -5.752 11.314 -11.269 63 H SER 9 H SER 9 -11.641 12.689 -9.134 64 HA SER 9 HA SER 9 -12.367 10.147 -10.304 65 HB2 SER 9 HB2 SER 9 -14.202 11.864 -11.277 66 HB3 SER 9 HB3 SER 9 -14.314 11.145 -9.667 67 HG SER 9 HG SER 9 -14.206 13.699 -10.245 68 H HIS 10 H HIS 10 -10.583 9.892 -11.696 69 HA HIS 10 HA HIS 10 -11.069 10.804 -14.341 70 HB2 HIS 10 HB2 HIS 10 -9.070 12.250 -12.751 71 HB3 HIS 10 HB3 HIS 10 -8.429 11.602 -14.256 72 HD1 HIS 10 HD1 HIS 10 -10.288 14.431 -12.916 73 HD2 HIS 10 HD2 HIS 10 -9.976 12.514 -16.597 74 HE1 HIS 10 HE1 HIS 10 -11.150 16.075 -14.617 75 HE2 HIS 10 HE2 HIS 10 -10.803 14.951 -16.846 76 H MET 11 H MET 11 -9.851 9.616 -15.874 77 HA MET 11 HA MET 11 -8.992 7.066 -14.772 78 HB2 MET 11 HB2 MET 11 -9.262 7.813 -17.690 79 HB3 MET 11 HB3 MET 11 -9.202 6.198 -17.002 80 HG2 MET 11 HG2 MET 11 -11.439 6.545 -17.559 81 HG3 MET 11 HG3 MET 11 -11.363 6.782 -15.814 82 HE1 MET 11 HE1 MET 11 -14.128 9.326 -16.948 83 HE2 MET 11 HE2 MET 11 -13.748 7.963 -15.895 84 HE3 MET 11 HE3 MET 11 -13.808 7.737 -17.643 85 H ALA 12 H ALA 12 -6.911 6.525 -14.503 86 HA ALA 12 HA ALA 12 -4.842 8.185 -15.684 87 HB1 ALA 12 HB1 ALA 12 -4.627 7.443 -13.352 88 HB2 ALA 12 HB2 ALA 12 -3.281 6.889 -14.348 89 HB3 ALA 12 HB3 ALA 12 -4.566 5.768 -13.897 90 H GLN 13 H GLN 13 -5.285 7.668 -17.882 91 HA GLN 13 HA GLN 13 -4.457 4.964 -18.697 92 HB2 GLN 13 HB2 GLN 13 -6.002 7.048 -20.249 93 HB3 GLN 13 HB3 GLN 13 -5.591 5.440 -20.826 94 HG2 GLN 13 HG2 GLN 13 -6.965 4.446 -19.083 95 HG3 GLN 13 HG3 GLN 13 -7.358 6.051 -18.466 96 HE21 GLN 13 HE21 GLN 13 -8.727 7.382 -19.659 97 HE22 GLN 13 HE22 GLN 13 -9.754 6.767 -20.913 98 H PHE 14 H PHE 14 -3.207 7.947 -18.308 99 HA PHE 14 HA PHE 14 -1.846 8.278 -20.815 100 HB2 PHE 14 HB2 PHE 14 -1.447 9.663 -18.152 101 HB3 PHE 14 HB3 PHE 14 -0.683 10.141 -19.666 102 HD1 PHE 14 HD1 PHE 14 -2.093 10.979 -21.535 103 HD2 PHE 14 HD2 PHE 14 -3.655 10.314 -17.634 104 HE1 PHE 14 HE1 PHE 14 -4.029 12.398 -22.073 105 HE2 PHE 14 HE2 PHE 14 -5.595 11.728 -18.165 106 HZ PHE 14 HZ PHE 14 -5.785 12.772 -20.387 107 HA PRO 15 HA PRO 15 1.433 5.529 -19.574 108 HB2 PRO 15 HB2 PRO 15 2.712 5.867 -22.086 109 HB3 PRO 15 HB3 PRO 15 1.675 4.534 -21.582 110 HG2 PRO 15 HG2 PRO 15 1.085 6.455 -23.524 111 HG3 PRO 15 HG3 PRO 15 -0.055 5.315 -22.799 112 HD2 PRO 15 HD2 PRO 15 0.355 8.195 -22.251 113 HD3 PRO 15 HD3 PRO 15 -1.104 7.203 -22.061 114 H THR 16 H THR 16 2.672 6.539 -18.141 115 HA THR 16 HA THR 16 4.346 8.791 -18.953 116 HB THR 16 HB THR 16 4.895 8.847 -16.462 117 HG1 THR 16 HG1 THR 16 4.224 6.742 -15.928 118 HG21 THR 16 HG21 THR 16 2.010 9.204 -17.291 119 HG22 THR 16 HG22 THR 16 3.296 10.397 -17.477 120 HG23 THR 16 HG23 THR 16 2.766 9.916 -15.865 121 HA PRO 17 HA PRO 17 7.747 5.946 -19.538 122 HB2 PRO 17 HB2 PRO 17 9.364 8.404 -19.518 123 HB3 PRO 17 HB3 PRO 17 9.192 7.184 -20.782 124 HG2 PRO 17 HG2 PRO 17 8.102 9.634 -21.012 125 HG3 PRO 17 HG3 PRO 17 7.327 8.189 -21.685 126 HD2 PRO 17 HD2 PRO 17 6.670 9.714 -19.202 127 HD3 PRO 17 HD3 PRO 17 5.587 8.929 -20.368 128 H PHE 18 H PHE 18 8.503 4.875 -17.884 129 HA PHE 18 HA PHE 18 8.922 5.990 -15.306 130 HB2 PHE 18 HB2 PHE 18 9.759 3.755 -14.700 131 HB3 PHE 18 HB3 PHE 18 8.238 3.660 -15.578 132 HD1 PHE 18 HD1 PHE 18 8.349 3.125 -18.078 133 HD2 PHE 18 HD2 PHE 18 11.619 2.567 -15.408 134 HE1 PHE 18 HE1 PHE 18 9.371 1.542 -19.664 135 HE2 PHE 18 HE2 PHE 18 12.648 0.994 -16.990 136 HZ PHE 18 HZ PHE 18 11.528 0.479 -19.122 137 H GLY 19 H GLY 19 10.886 6.171 -14.145 138 HA2 GLY 19 HA2 GLY 19 13.292 6.080 -14.051 139 HA3 GLY 19 HA3 GLY 19 13.320 6.275 -15.799 140 H GLY 20 H GLY 20 14.581 8.082 -15.887 141 HA2 GLY 20 HA2 GLY 20 14.908 10.352 -16.031 142 HA3 GLY 20 HA3 GLY 20 13.250 10.570 -15.491 143 H SER 21 H SER 21 12.821 10.516 -13.212 144 HA SER 21 HA SER 21 15.036 11.653 -11.675 145 HB2 SER 21 HB2 SER 21 12.088 11.502 -10.996 146 HB3 SER 21 HB3 SER 21 13.309 12.477 -10.176 147 HG SER 21 HG SER 21 13.281 12.962 -12.845 148 H LEU 22 H LEU 22 15.169 8.932 -12.188 149 HA LEU 22 HA LEU 22 15.608 6.944 -11.222 150 HB2 LEU 22 HB2 LEU 22 16.506 8.225 -9.328 151 HB3 LEU 22 HB3 LEU 22 14.911 8.273 -8.606 152 HG LEU 22 HG LEU 22 14.944 5.847 -8.323 153 HD11 LEU 22 HD11 LEU 22 16.289 5.239 -10.258 154 HD12 LEU 22 HD12 LEU 22 16.994 4.576 -8.784 155 HD13 LEU 22 HD13 LEU 22 17.703 6.006 -9.533 156 HD21 LEU 22 HD21 LEU 22 17.416 7.224 -7.282 157 HD22 LEU 22 HD22 LEU 22 16.740 5.722 -6.651 158 HD23 LEU 22 HD23 LEU 22 15.821 7.222 -6.528 159 H ASP 23 H ASP 23 14.445 5.164 -11.216 160 HA ASP 23 HA ASP 23 11.583 5.561 -11.469 161 HB2 ASP 23 HB2 ASP 23 11.608 3.268 -12.444 162 HB3 ASP 23 HB3 ASP 23 12.673 4.400 -13.270 163 H THR 24 H THR 24 12.975 5.343 -8.782 164 HA THR 24 HA THR 24 11.956 2.994 -7.539 165 HB THR 24 HB THR 24 12.581 5.672 -6.267 166 HG1 THR 24 HG1 THR 24 14.259 3.379 -6.628 167 HG21 THR 24 HG21 THR 24 12.965 4.336 -4.230 168 HG22 THR 24 HG22 THR 24 12.438 2.890 -5.091 169 HG23 THR 24 HG23 THR 24 11.299 4.204 -4.797 170 H TRP 25 H TRP 25 10.686 6.159 -8.262 171 HA TRP 25 HA TRP 25 8.214 5.586 -6.796 172 HB2 TRP 25 HB2 TRP 25 9.377 8.158 -7.853 173 HB3 TRP 25 HB3 TRP 25 7.781 8.017 -7.139 174 HD1 TRP 25 HD1 TRP 25 10.904 9.275 -6.128 175 HE1 TRP 25 HE1 TRP 25 11.382 8.979 -3.612 176 HE3 TRP 25 HE3 TRP 25 7.376 5.737 -5.059 177 HZ2 TRP 25 HZ2 TRP 25 10.388 7.430 -1.463 178 HZ3 TRP 25 HZ3 TRP 25 7.207 4.894 -2.756 179 HH2 TRP 25 HH2 TRP 25 8.678 5.722 -0.995 180 H ALA 26 H ALA 26 9.427 5.221 -9.746 181 HA ALA 26 HA ALA 26 7.017 5.947 -11.220 182 HB1 ALA 26 HB1 ALA 26 9.199 6.508 -12.203 183 HB2 ALA 26 HB2 ALA 26 8.277 5.401 -13.221 184 HB3 ALA 26 HB3 ALA 26 9.610 4.794 -12.241 185 H ILE 27 H ILE 27 5.647 4.454 -12.129 186 HA ILE 27 HA ILE 27 5.609 1.853 -10.933 187 HB ILE 27 HB ILE 27 3.839 2.947 -13.125 188 HG12 ILE 27 HG12 ILE 27 3.416 2.886 -10.125 189 HG13 ILE 27 HG13 ILE 27 3.779 4.323 -11.074 190 HG21 ILE 27 HG21 ILE 27 3.751 0.536 -13.017 191 HG22 ILE 27 HG22 ILE 27 2.259 1.208 -12.360 192 HG23 ILE 27 HG23 ILE 27 3.501 0.592 -11.272 193 HD11 ILE 27 HD11 ILE 27 1.425 4.221 -10.552 194 HD12 ILE 27 HD12 ILE 27 1.307 2.621 -11.285 195 HD13 ILE 27 HD13 ILE 27 1.668 4.027 -12.288 196 H THR 28 H THR 28 7.217 0.549 -11.618 197 HA THR 28 HA THR 28 7.825 0.293 -14.439 198 HB THR 28 HB THR 28 9.522 0.217 -12.481 199 HG1 THR 28 HG1 THR 28 10.793 -0.532 -13.988 200 HG21 THR 28 HG21 THR 28 8.547 -2.641 -12.441 201 HG22 THR 28 HG22 THR 28 8.444 -1.478 -11.119 202 HG23 THR 28 HG23 THR 28 10.018 -2.057 -11.663 203 H VAL 29 H VAL 29 8.185 -2.220 -15.064 204 HA VAL 29 HA VAL 29 5.666 -3.247 -15.551 205 HB VAL 29 HB VAL 29 8.246 -4.820 -15.489 206 HG11 VAL 29 HG11 VAL 29 7.147 -6.269 -17.128 207 HG12 VAL 29 HG12 VAL 29 5.664 -5.327 -16.965 208 HG13 VAL 29 HG13 VAL 29 6.282 -6.249 -15.592 209 HG21 VAL 29 HG21 VAL 29 6.983 -3.243 -17.729 210 HG22 VAL 29 HG22 VAL 29 8.389 -4.295 -17.887 211 HG23 VAL 29 HG23 VAL 29 8.478 -2.848 -16.881 212 H GLU 30 H GLU 30 8.053 -4.435 -13.169 213 HA GLU 30 HA GLU 30 6.440 -6.436 -12.054 214 HB2 GLU 30 HB2 GLU 30 8.862 -6.267 -11.648 215 HB3 GLU 30 HB3 GLU 30 8.606 -4.802 -10.708 216 HG2 GLU 30 HG2 GLU 30 7.311 -6.072 -9.077 217 HG3 GLU 30 HG3 GLU 30 7.555 -7.540 -10.021 218 H GLU 31 H GLU 31 6.824 -3.039 -11.178 219 HA GLU 31 HA GLU 31 5.110 -3.005 -8.955 220 HB2 GLU 31 HB2 GLU 31 5.691 -0.807 -10.955 221 HB3 GLU 31 HB3 GLU 31 4.947 -0.572 -9.385 222 HG2 GLU 31 HG2 GLU 31 7.712 -1.667 -9.809 223 HG3 GLU 31 HG3 GLU 31 7.342 0.020 -9.464 224 H ARG 32 H ARG 32 4.522 -2.549 -12.392 225 HA ARG 32 HA ARG 32 1.814 -1.769 -12.164 226 HB2 ARG 32 HB2 ARG 32 3.428 -1.414 -14.098 227 HB3 ARG 32 HB3 ARG 32 3.097 -3.068 -14.571 228 HG2 ARG 32 HG2 ARG 32 0.792 -1.239 -14.145 229 HG3 ARG 32 HG3 ARG 32 1.772 -1.022 -15.593 230 HD2 ARG 32 HD2 ARG 32 0.601 -3.673 -14.788 231 HD3 ARG 32 HD3 ARG 32 -0.251 -2.521 -15.817 232 HE ARG 32 HE ARG 32 2.428 -3.394 -16.626 233 HH11 ARG 32 HH11 ARG 32 -1.036 -3.409 -17.122 234 HH12 ARG 32 HH12 ARG 32 -0.938 -4.107 -18.708 235 HH21 ARG 32 HH21 ARG 32 2.560 -4.317 -18.718 236 HH22 ARG 32 HH22 ARG 32 1.107 -4.629 -19.620 237 H ALA 33 H ALA 33 3.407 -4.868 -12.475 238 HA ALA 33 HA ALA 33 0.904 -6.322 -12.677 239 HB1 ALA 33 HB1 ALA 33 3.717 -7.333 -12.283 240 HB2 ALA 33 HB2 ALA 33 2.887 -7.151 -13.829 241 HB3 ALA 33 HB3 ALA 33 2.302 -8.322 -12.647 242 H LYS 34 H LYS 34 2.810 -5.042 -10.195 243 HA LYS 34 HA LYS 34 2.725 -7.002 -8.210 244 HB2 LYS 34 HB2 LYS 34 4.091 -4.856 -8.284 245 HB3 LYS 34 HB3 LYS 34 2.653 -4.031 -7.705 246 HG2 LYS 34 HG2 LYS 34 4.036 -4.444 -5.831 247 HG3 LYS 34 HG3 LYS 34 2.677 -5.567 -5.730 248 HD2 LYS 34 HD2 LYS 34 4.009 -7.376 -6.488 249 HD3 LYS 34 HD3 LYS 34 5.324 -6.295 -6.946 250 HE2 LYS 34 HE2 LYS 34 5.605 -5.695 -4.558 251 HE3 LYS 34 HE3 LYS 34 4.356 -6.869 -4.147 252 HZ1 LYS 34 HZ1 LYS 34 5.771 -8.606 -5.146 253 HZ2 LYS 34 HZ2 LYS 34 6.509 -7.841 -3.823 254 HZ3 LYS 34 HZ3 LYS 34 6.988 -7.451 -5.400 255 H HIS 35 H HIS 35 0.448 -4.385 -8.928 256 HA HIS 35 HA HIS 35 -1.060 -4.556 -6.597 257 HB2 HIS 35 HB2 HIS 35 -2.757 -3.265 -7.666 258 HB3 HIS 35 HB3 HIS 35 -1.209 -2.700 -8.265 259 HD1 HIS 35 HD1 HIS 35 -0.958 -2.564 -10.745 260 HD2 HIS 35 HD2 HIS 35 -4.209 -4.898 -9.600 261 HE1 HIS 35 HE1 HIS 35 -2.198 -3.101 -12.869 262 HE2 HIS 35 HE2 HIS 35 -4.055 -4.655 -12.173 263 H ASP 36 H ASP 36 -1.287 -6.494 -9.511 264 HA ASP 36 HA ASP 36 -3.795 -7.689 -8.879 265 HB2 ASP 36 HB2 ASP 36 -2.955 -7.733 -11.172 266 HB3 ASP 36 HB3 ASP 36 -1.557 -8.675 -10.661 267 H GLN 37 H GLN 37 -0.445 -8.662 -8.432 268 HA GLN 37 HA GLN 37 -0.908 -11.181 -7.289 269 HB2 GLN 37 HB2 GLN 37 1.256 -10.137 -8.206 270 HB3 GLN 37 HB3 GLN 37 1.417 -9.372 -6.637 271 HG2 GLN 37 HG2 GLN 37 1.119 -12.339 -6.868 272 HG3 GLN 37 HG3 GLN 37 2.680 -11.563 -7.118 273 HE21 GLN 37 HE21 GLN 37 0.282 -12.505 -4.828 274 HE22 GLN 37 HE22 GLN 37 1.182 -12.076 -3.407 275 H GLN 38 H GLN 38 -0.340 -8.001 -5.794 276 HA GLN 38 HA GLN 38 -0.520 -8.899 -3.123 277 HB2 GLN 38 HB2 GLN 38 -0.998 -6.145 -4.271 278 HB3 GLN 38 HB3 GLN 38 -0.817 -6.503 -2.560 279 HG2 GLN 38 HG2 GLN 38 1.275 -6.972 -4.672 280 HG3 GLN 38 HG3 GLN 38 1.229 -5.606 -3.559 281 HE21 GLN 38 HE21 GLN 38 1.908 -8.988 -3.927 282 HE22 GLN 38 HE22 GLN 38 2.649 -9.214 -2.382 283 H PHE 39 H PHE 39 -2.946 -7.522 -5.322 284 HA PHE 39 HA PHE 39 -5.048 -7.222 -3.506 285 HB2 PHE 39 HB2 PHE 39 -4.770 -6.611 -6.081 286 HB3 PHE 39 HB3 PHE 39 -5.649 -8.119 -6.290 287 HD1 PHE 39 HD1 PHE 39 -7.438 -7.878 -3.840 288 HD2 PHE 39 HD2 PHE 39 -6.356 -5.094 -6.870 289 HE1 PHE 39 HE1 PHE 39 -9.554 -6.672 -3.484 290 HE2 PHE 39 HE2 PHE 39 -8.473 -3.889 -6.522 291 HZ PHE 39 HZ PHE 39 -10.074 -4.681 -4.829 292 H HIS 40 H HIS 40 -3.931 -10.021 -5.294 293 HA HIS 40 HA HIS 40 -6.166 -11.689 -4.844 294 HB2 HIS 40 HB2 HIS 40 -3.873 -11.845 -6.331 295 HB3 HIS 40 HB3 HIS 40 -3.534 -13.002 -5.048 296 HD1 HIS 40 HD1 HIS 40 -5.939 -12.349 -7.872 297 HD2 HIS 40 HD2 HIS 40 -4.887 -15.402 -5.248 298 HE1 HIS 40 HE1 HIS 40 -7.093 -14.412 -8.732 299 HE2 HIS 40 HE2 HIS 40 -6.248 -16.282 -7.270 300 H SER 41 H SER 41 -3.157 -11.175 -3.082 301 HA SER 41 HA SER 41 -3.693 -13.192 -1.109 302 HB2 SER 41 HB2 SER 41 -1.397 -12.506 -1.824 303 HB3 SER 41 HB3 SER 41 -1.658 -10.950 -1.040 304 HG SER 41 HG SER 41 -0.649 -12.140 0.464 305 H LEU 42 H LEU 42 -4.675 -9.956 -1.550 306 HA LEU 42 HA LEU 42 -4.730 -9.103 1.174 307 HB2 LEU 42 HB2 LEU 42 -5.120 -7.966 -1.370 308 HB3 LEU 42 HB3 LEU 42 -6.589 -7.673 -0.460 309 HG LEU 42 HG LEU 42 -5.075 -5.818 -0.245 310 HD11 LEU 42 HD11 LEU 42 -5.266 -7.396 2.309 311 HD12 LEU 42 HD12 LEU 42 -6.489 -6.301 1.663 312 HD13 LEU 42 HD13 LEU 42 -4.931 -5.668 2.195 313 HD21 LEU 42 HD21 LEU 42 -3.125 -7.788 0.928 314 HD22 LEU 42 HD22 LEU 42 -2.908 -6.039 0.857 315 HD23 LEU 42 HD23 LEU 42 -2.975 -6.980 -0.632 316 H LYS 43 H LYS 43 -6.533 -11.328 -0.327 317 HA LYS 43 HA LYS 43 -8.403 -12.496 0.212 318 HB2 LYS 43 HB2 LYS 43 -8.643 -10.629 2.576 319 HB3 LYS 43 HB3 LYS 43 -9.525 -12.131 2.351 320 HG2 LYS 43 HG2 LYS 43 -7.421 -13.379 2.473 321 HG3 LYS 43 HG3 LYS 43 -6.547 -11.863 2.717 322 HD2 LYS 43 HD2 LYS 43 -7.823 -11.454 4.763 323 HD3 LYS 43 HD3 LYS 43 -8.709 -12.956 4.511 324 HE2 LYS 43 HE2 LYS 43 -5.755 -12.669 5.036 325 HE3 LYS 43 HE3 LYS 43 -6.968 -13.300 6.152 326 HZ1 LYS 43 HZ1 LYS 43 -5.933 -14.530 3.670 327 HZ2 LYS 43 HZ2 LYS 43 -7.403 -15.026 4.350 328 HZ3 LYS 43 HZ3 LYS 43 -5.963 -15.176 5.241 329 HA PRO 44 HA PRO 44 -10.925 -9.021 -1.530 330 HB2 PRO 44 HB2 PRO 44 -11.244 -9.997 -4.027 331 HB3 PRO 44 HB3 PRO 44 -9.854 -9.009 -3.564 332 HG2 PRO 44 HG2 PRO 44 -10.050 -11.961 -3.911 333 HG3 PRO 44 HG3 PRO 44 -8.729 -10.860 -4.319 334 HD2 PRO 44 HD2 PRO 44 -8.796 -12.454 -2.071 335 HD3 PRO 44 HD3 PRO 44 -7.830 -10.974 -2.224 336 H ILE 45 H ILE 45 -12.937 -9.191 -0.924 337 HA ILE 45 HA ILE 45 -14.334 -11.551 -0.389 338 HB ILE 45 HB ILE 45 -15.551 -8.870 -1.097 339 HG12 ILE 45 HG12 ILE 45 -13.924 -8.623 0.705 340 HG13 ILE 45 HG13 ILE 45 -15.557 -8.439 1.331 341 HG21 ILE 45 HG21 ILE 45 -17.182 -10.676 -1.119 342 HG22 ILE 45 HG22 ILE 45 -17.448 -9.614 0.265 343 HG23 ILE 45 HG23 ILE 45 -16.669 -11.180 0.492 344 HD11 ILE 45 HD11 ILE 45 -15.480 -10.727 2.188 345 HD12 ILE 45 HD12 ILE 45 -14.183 -9.731 2.848 346 HD13 ILE 45 HD13 ILE 45 -13.837 -10.895 1.570 347 H SER 46 H SER 46 -14.717 -9.316 -3.095 348 HA SER 46 HA SER 46 -15.146 -11.532 -4.926 349 HB2 SER 46 HB2 SER 46 -17.055 -9.180 -4.781 350 HB3 SER 46 HB3 SER 46 -17.163 -10.555 -5.879 351 HG SER 46 HG SER 46 -17.145 -11.733 -3.648 352 H GLY 47 H GLY 47 -15.065 -8.026 -4.509 353 HA2 GLY 47 HA2 GLY 47 -12.684 -7.807 -6.109 354 HA3 GLY 47 HA3 GLY 47 -14.103 -7.070 -6.850 355 H PHE 48 H PHE 48 -13.290 -7.288 -3.430 356 HA PHE 48 HA PHE 48 -13.072 -4.378 -3.274 357 HB2 PHE 48 HB2 PHE 48 -14.951 -5.982 -1.526 358 HB3 PHE 48 HB3 PHE 48 -14.705 -4.242 -1.484 359 HD1 PHE 48 HD1 PHE 48 -15.491 -2.855 -3.402 360 HD2 PHE 48 HD2 PHE 48 -16.476 -6.975 -3.004 361 HE1 PHE 48 HE1 PHE 48 -17.354 -2.560 -4.983 362 HE2 PHE 48 HE2 PHE 48 -18.334 -6.688 -4.586 363 HZ PHE 48 HZ PHE 48 -18.774 -4.480 -5.576 364 H ILE 49 H ILE 49 -12.120 -3.636 -1.347 365 HA ILE 49 HA ILE 49 -11.241 -5.624 0.605 366 HB ILE 49 HB ILE 49 -9.077 -4.500 0.937 367 HG12 ILE 49 HG12 ILE 49 -9.651 -2.297 -0.057 368 HG13 ILE 49 HG13 ILE 49 -8.135 -2.948 -0.658 369 HG21 ILE 49 HG21 ILE 49 -9.111 -6.507 -0.350 370 HG22 ILE 49 HG22 ILE 49 -7.934 -5.398 -1.055 371 HG23 ILE 49 HG23 ILE 49 -9.510 -5.616 -1.817 372 HD11 ILE 49 HD11 ILE 49 -9.295 -3.650 -2.714 373 HD12 ILE 49 HD12 ILE 49 -9.368 -1.910 -2.442 374 HD13 ILE 49 HD13 ILE 49 -10.776 -2.914 -2.101 375 H THR 50 H THR 50 -10.501 -4.433 2.676 376 HA THR 50 HA THR 50 -11.984 -1.939 3.034 377 HB THR 50 HB THR 50 -13.568 -3.745 3.576 378 HG1 THR 50 HG1 THR 50 -14.281 -2.732 5.338 379 HG21 THR 50 HG21 THR 50 -11.573 -4.528 5.702 380 HG22 THR 50 HG22 THR 50 -11.971 -5.466 4.263 381 HG23 THR 50 HG23 THR 50 -13.192 -5.198 5.507 382 H GLY 51 H GLY 51 -11.630 -1.088 5.344 383 HA2 GLY 51 HA2 GLY 51 -8.882 -0.647 5.724 384 HA3 GLY 51 HA3 GLY 51 -10.148 -0.242 6.868 385 H ASP 52 H ASP 52 -11.076 -2.950 7.201 386 HA ASP 52 HA ASP 52 -9.494 -3.707 9.393 387 HB2 ASP 52 HB2 ASP 52 -11.828 -4.325 9.296 388 HB3 ASP 52 HB3 ASP 52 -11.557 -5.275 7.838 389 H GLN 53 H GLN 53 -9.830 -5.250 6.202 390 HA GLN 53 HA GLN 53 -7.859 -7.228 6.747 391 HB2 GLN 53 HB2 GLN 53 -8.924 -6.321 4.068 392 HB3 GLN 53 HB3 GLN 53 -8.046 -7.809 4.386 393 HG2 GLN 53 HG2 GLN 53 -9.899 -8.466 5.933 394 HG3 GLN 53 HG3 GLN 53 -10.792 -7.064 5.348 395 HE21 GLN 53 HE21 GLN 53 -9.627 -7.414 2.640 396 HE22 GLN 53 HE22 GLN 53 -10.486 -8.741 1.938 397 H ALA 54 H ALA 54 -7.826 -4.044 5.289 398 HA ALA 54 HA ALA 54 -5.245 -4.055 4.212 399 HB1 ALA 54 HB1 ALA 54 -6.842 -2.226 3.848 400 HB2 ALA 54 HB2 ALA 54 -5.300 -1.624 4.453 401 HB3 ALA 54 HB3 ALA 54 -6.684 -1.751 5.539 402 H ARG 55 H ARG 55 -6.343 -3.034 7.442 403 HA ARG 55 HA ARG 55 -3.809 -2.609 8.548 404 HB2 ARG 55 HB2 ARG 55 -6.462 -3.305 9.786 405 HB3 ARG 55 HB3 ARG 55 -5.017 -3.090 10.765 406 HG2 ARG 55 HG2 ARG 55 -4.785 -0.807 9.880 407 HG3 ARG 55 HG3 ARG 55 -6.277 -1.031 8.962 408 HD2 ARG 55 HD2 ARG 55 -7.559 -1.251 10.958 409 HD3 ARG 55 HD3 ARG 55 -6.107 -1.330 11.954 410 HE ARG 55 HE ARG 55 -5.930 1.090 10.726 411 HH11 ARG 55 HH11 ARG 55 -8.373 -0.473 12.689 412 HH12 ARG 55 HH12 ARG 55 -8.984 1.018 13.347 413 HH21 ARG 55 HH21 ARG 55 -6.692 3.054 11.626 414 HH22 ARG 55 HH22 ARG 55 -8.011 3.019 12.767 415 H ASN 56 H ASN 56 -5.858 -5.498 8.572 416 HA ASN 56 HA ASN 56 -4.260 -7.091 10.221 417 HB2 ASN 56 HB2 ASN 56 -6.591 -7.628 9.591 418 HB3 ASN 56 HB3 ASN 56 -6.059 -7.968 7.949 419 HD21 ASN 56 HD21 ASN 56 -6.768 -10.074 8.015 420 HD22 ASN 56 HD22 ASN 56 -5.964 -11.301 8.938 421 H PHE 57 H PHE 57 -4.154 -6.552 6.739 422 HA PHE 57 HA PHE 57 -2.384 -8.627 6.084 423 HB2 PHE 57 HB2 PHE 57 -3.751 -7.335 4.451 424 HB3 PHE 57 HB3 PHE 57 -2.647 -5.977 4.664 425 HD1 PHE 57 HD2 PHE 57 -2.998 -9.389 3.356 426 HD2 PHE 57 HD1 PHE 57 -0.464 -5.989 3.691 427 HE1 PHE 57 HE2 PHE 57 -1.504 -10.338 1.643 428 HE2 PHE 57 HE1 PHE 57 1.028 -6.930 1.988 429 HZ PHE 57 HZ PHE 57 0.515 -9.105 0.956 430 H PHE 58 H PHE 58 -1.599 -5.131 6.498 431 HA PHE 58 HA PHE 58 1.183 -5.799 6.379 432 HB2 PHE 58 HB2 PHE 58 1.568 -3.362 6.944 433 HB3 PHE 58 HB3 PHE 58 0.740 -3.710 5.439 434 HD1 PHE 58 HD2 PHE 58 -0.270 -3.143 9.006 435 HD2 PHE 58 HD1 PHE 58 -0.862 -2.207 4.898 436 HE1 PHE 58 HE2 PHE 58 -2.029 -1.537 9.626 437 HE2 PHE 58 HE1 PHE 58 -2.619 -0.599 5.510 438 HZ PHE 58 HZ PHE 58 -3.207 -0.262 7.878 439 H PHE 59 H PHE 59 -1.099 -5.626 8.935 440 HA PHE 59 HA PHE 59 0.687 -5.277 11.085 441 HB2 PHE 59 HB2 PHE 59 -2.053 -6.177 10.726 442 HB3 PHE 59 HB3 PHE 59 -1.226 -7.107 11.966 443 HD1 PHE 59 HD1 PHE 59 -0.159 -5.875 13.886 444 HD2 PHE 59 HD2 PHE 59 -2.819 -3.996 11.145 445 HE1 PHE 59 HE1 PHE 59 -0.540 -4.060 15.503 446 HE2 PHE 59 HE2 PHE 59 -3.199 -2.176 12.756 447 HZ PHE 59 HZ PHE 59 -2.058 -2.207 14.940 448 H GLN 60 H GLN 60 -0.304 -8.104 9.228 449 HA GLN 60 HA GLN 60 1.297 -9.948 10.722 450 HB2 GLN 60 HB2 GLN 60 -0.003 -10.186 8.007 451 HB3 GLN 60 HB3 GLN 60 0.814 -11.506 8.832 452 HG2 GLN 60 HG2 GLN 60 -0.794 -11.329 10.677 453 HG3 GLN 60 HG3 GLN 60 -1.629 -10.041 9.809 454 HE21 GLN 60 HE21 GLN 60 -0.213 -12.823 8.239 455 HE22 GLN 60 HE22 GLN 60 -1.709 -13.556 7.764 456 H SER 61 H SER 61 2.086 -7.569 8.503 457 HA SER 61 HA SER 61 4.257 -8.938 7.218 458 HB2 SER 61 HB2 SER 61 3.728 -5.965 7.420 459 HB3 SER 61 HB3 SER 61 4.815 -6.763 6.281 460 HG SER 61 HG SER 61 2.176 -7.646 6.332 461 H GLY 62 H GLY 62 3.781 -7.321 10.213 462 HA2 GLY 62 HA2 GLY 62 5.215 -7.535 12.047 463 HA3 GLY 62 HA3 GLY 62 6.507 -8.009 10.959 464 H LEU 63 H LEU 63 4.707 -5.147 10.230 465 HA LEU 63 HA LEU 63 7.038 -3.523 10.920 466 HB2 LEU 63 HB2 LEU 63 4.592 -3.002 9.240 467 HB3 LEU 63 HB3 LEU 63 5.688 -1.719 9.707 468 HG LEU 63 HG LEU 63 6.533 -4.145 8.112 469 HD11 LEU 63 HD11 LEU 63 6.528 -2.648 6.181 470 HD12 LEU 63 HD12 LEU 63 5.854 -1.358 7.176 471 HD13 LEU 63 HD13 LEU 63 4.910 -2.816 6.862 472 HD21 LEU 63 HD21 LEU 63 8.327 -3.057 9.374 473 HD22 LEU 63 HD22 LEU 63 7.888 -1.504 8.659 474 HD23 LEU 63 HD23 LEU 63 8.515 -2.800 7.639 475 HA PRO 64 HA PRO 64 5.200 -1.843 14.593 476 HB2 PRO 64 HB2 PRO 64 6.341 0.764 13.769 477 HB3 PRO 64 HB3 PRO 64 6.622 -0.172 15.241 478 HG2 PRO 64 HG2 PRO 64 8.490 -0.020 13.345 479 HG3 PRO 64 HG3 PRO 64 8.210 -1.527 14.237 480 HD2 PRO 64 HD2 PRO 64 7.328 -0.768 11.474 481 HD3 PRO 64 HD3 PRO 64 7.971 -2.315 12.069 482 H GLN 65 H GLN 65 3.530 -0.473 15.298 483 HA GLN 65 HA GLN 65 1.412 -0.131 13.553 484 HB2 GLN 65 HB2 GLN 65 1.911 1.316 16.154 485 HB3 GLN 65 HB3 GLN 65 0.372 1.285 15.307 486 HG2 GLN 65 HG2 GLN 65 0.279 -1.144 15.570 487 HG3 GLN 65 HG3 GLN 65 1.815 -1.099 16.431 488 HE21 GLN 65 HE21 GLN 65 -1.577 -0.385 16.581 489 HE22 GLN 65 HE22 GLN 65 -1.649 -0.086 18.288 490 HA PRO 66 HA PRO 66 2.429 4.683 13.283 491 HB2 PRO 66 HB2 PRO 66 5.185 5.092 13.357 492 HB3 PRO 66 HB3 PRO 66 4.054 5.487 14.655 493 HG2 PRO 66 HG2 PRO 66 5.809 3.097 14.326 494 HG3 PRO 66 HG3 PRO 66 5.392 3.993 15.798 495 HD2 PRO 66 HD2 PRO 66 4.254 1.637 15.248 496 HD3 PRO 66 HD3 PRO 66 3.324 2.951 16.001 497 H VAL 67 H VAL 67 4.701 2.196 12.248 498 HA VAL 67 HA VAL 67 5.272 3.399 9.715 499 HB VAL 67 HB VAL 67 5.721 0.561 10.668 500 HG11 VAL 67 HG11 VAL 67 6.883 2.025 8.302 501 HG12 VAL 67 HG12 VAL 67 5.737 0.687 8.240 502 HG13 VAL 67 HG13 VAL 67 7.368 0.423 8.858 503 HG21 VAL 67 HG21 VAL 67 6.882 2.199 12.040 504 HG22 VAL 67 HG22 VAL 67 7.576 2.936 10.596 505 HG23 VAL 67 HG23 VAL 67 8.029 1.294 11.051 506 H LEU 68 H LEU 68 3.125 0.862 10.881 507 HA LEU 68 HA LEU 68 2.032 0.044 8.427 508 HB2 LEU 68 HB2 LEU 68 0.695 0.176 11.130 509 HB3 LEU 68 HB3 LEU 68 0.138 -0.760 9.758 510 HG LEU 68 HG LEU 68 2.703 -1.202 11.273 511 HD11 LEU 68 HD11 LEU 68 0.177 -2.838 11.130 512 HD12 LEU 68 HD12 LEU 68 0.707 -1.872 12.508 513 HD13 LEU 68 HD13 LEU 68 1.650 -3.272 11.997 514 HD21 LEU 68 HD21 LEU 68 1.509 -2.715 8.959 515 HD22 LEU 68 HD22 LEU 68 2.932 -3.200 9.881 516 HD23 LEU 68 HD23 LEU 68 2.965 -1.724 8.916 517 H ALA 69 H ALA 69 0.864 2.408 10.788 518 HA ALA 69 HA ALA 69 -1.351 3.320 9.337 519 HB1 ALA 69 HB1 ALA 69 -1.002 3.758 11.726 520 HB2 ALA 69 HB2 ALA 69 -1.304 5.248 10.830 521 HB3 ALA 69 HB3 ALA 69 0.337 4.836 11.328 522 H GLN 70 H GLN 70 2.035 4.180 9.210 523 HA GLN 70 HA GLN 70 1.862 6.519 7.671 524 HB2 GLN 70 HB2 GLN 70 3.852 5.139 8.890 525 HB3 GLN 70 HB3 GLN 70 4.159 4.713 7.217 526 HG2 GLN 70 HG2 GLN 70 4.004 7.510 8.312 527 HG3 GLN 70 HG3 GLN 70 5.478 6.617 7.960 528 HE21 GLN 70 HE21 GLN 70 2.859 8.433 6.665 529 HE22 GLN 70 HE22 GLN 70 3.442 8.514 5.038 530 H ILE 71 H ILE 71 1.895 3.096 6.792 531 HA ILE 71 HA ILE 71 2.133 3.460 3.988 532 HB ILE 71 HB ILE 71 1.020 1.200 5.641 533 HG12 ILE 71 HG12 ILE 71 3.377 1.195 3.772 534 HG13 ILE 71 HG13 ILE 71 3.524 1.716 5.442 535 HG21 ILE 71 HG21 ILE 71 0.859 -0.135 3.593 536 HG22 ILE 71 HG22 ILE 71 1.241 1.295 2.635 537 HG23 ILE 71 HG23 ILE 71 -0.253 1.233 3.569 538 HD11 ILE 71 HD11 ILE 71 2.634 -1.001 4.500 539 HD12 ILE 71 HD12 ILE 71 2.747 -0.489 6.183 540 HD13 ILE 71 HD13 ILE 71 4.203 -0.593 5.193 541 H TRP 72 H TRP 72 -0.689 2.989 6.090 542 HA TRP 72 HA TRP 72 -2.575 3.101 3.988 543 HB2 TRP 72 HB2 TRP 72 -3.040 2.051 6.159 544 HB3 TRP 72 HB3 TRP 72 -2.971 3.627 6.938 545 HD1 TRP 72 HD1 TRP 72 -4.818 3.123 3.607 546 HE1 TRP 72 HE1 TRP 72 -7.334 3.526 4.004 547 HE3 TRP 72 HE3 TRP 72 -4.754 3.582 8.684 548 HZ2 TRP 72 HZ2 TRP 72 -9.055 3.926 6.199 549 HZ3 TRP 72 HZ3 TRP 72 -6.884 3.953 9.865 550 HH2 TRP 72 HH2 TRP 72 -8.989 4.122 8.637 551 H ALA 73 H ALA 73 -1.324 5.550 6.220 552 HA ALA 73 HA ALA 73 -3.127 7.587 5.552 553 HB1 ALA 73 HB1 ALA 73 -1.687 7.676 7.524 554 HB2 ALA 73 HB2 ALA 73 -1.506 9.123 6.531 555 HB3 ALA 73 HB3 ALA 73 -0.273 7.862 6.485 556 H LEU 74 H LEU 74 -0.364 6.349 3.894 557 HA LEU 74 HA LEU 74 -0.198 8.600 2.056 558 HB2 LEU 74 HB2 LEU 74 1.407 6.171 2.622 559 HB3 LEU 74 HB3 LEU 74 1.462 6.799 0.989 560 HG LEU 74 HG LEU 74 2.145 8.439 3.440 561 HD11 LEU 74 HD11 LEU 74 3.672 6.547 3.169 562 HD12 LEU 74 HD12 LEU 74 4.461 8.077 2.787 563 HD13 LEU 74 HD13 LEU 74 3.941 7.005 1.486 564 HD21 LEU 74 HD21 LEU 74 1.425 9.729 1.488 565 HD22 LEU 74 HD22 LEU 74 2.601 8.877 0.486 566 HD23 LEU 74 HD23 LEU 74 3.151 9.934 1.789 567 H ALA 75 H ALA 75 -1.064 5.173 2.047 568 HA ALA 75 HA ALA 75 -1.501 4.970 -0.742 569 HB1 ALA 75 HB1 ALA 75 -1.034 3.029 0.668 570 HB2 ALA 75 HB2 ALA 75 -2.537 2.824 -0.231 571 HB3 ALA 75 HB3 ALA 75 -2.585 3.243 1.481 572 H ASP 76 H ASP 76 -3.590 5.740 1.973 573 HA ASP 76 HA ASP 76 -5.993 5.871 0.405 574 HB2 ASP 76 HB2 ASP 76 -5.355 5.939 3.140 575 HB3 ASP 76 HB3 ASP 76 -6.005 7.536 2.793 576 H MET 77 H MET 77 -5.118 7.117 -1.364 577 HA MET 77 HA MET 77 -3.869 9.621 -0.959 578 HB2 MET 77 HB2 MET 77 -5.043 8.350 -3.425 579 HB3 MET 77 HB3 MET 77 -4.213 9.899 -3.443 580 HG2 MET 77 HG2 MET 77 -2.197 8.818 -2.566 581 HG3 MET 77 HG3 MET 77 -3.032 7.266 -2.594 582 HE1 MET 77 HE1 MET 77 -3.558 6.618 -6.379 583 HE2 MET 77 HE2 MET 77 -4.694 7.306 -5.219 584 HE3 MET 77 HE3 MET 77 -3.668 5.949 -4.752 585 H ASN 78 H ASN 78 -7.184 8.776 -2.000 586 HA ASN 78 HA ASN 78 -7.983 11.559 -1.833 587 HB2 ASN 78 HB2 ASN 78 -10.078 10.881 -2.602 588 HB3 ASN 78 HB3 ASN 78 -9.031 9.656 -3.302 589 HD21 ASN 78 HD21 ASN 78 -11.541 10.316 -1.040 590 HD22 ASN 78 HD22 ASN 78 -11.874 8.679 -0.604 591 H ASN 79 H ASN 79 -7.538 8.965 0.215 592 HA ASN 79 HA ASN 79 -7.937 8.505 2.380 593 HB2 ASN 79 HB2 ASN 79 -6.241 10.365 2.377 594 HB3 ASN 79 HB3 ASN 79 -7.557 11.463 2.794 595 HD21 ASN 79 HD21 ASN 79 -7.327 8.138 3.894 596 HD22 ASN 79 HD22 ASN 79 -7.051 8.517 5.562 597 H ASP 80 H ASP 80 -10.233 8.031 1.883 598 HA ASP 80 HA ASP 80 -11.969 9.872 3.389 599 HB2 ASP 80 HB2 ASP 80 -12.755 9.030 1.140 600 HB3 ASP 80 HB3 ASP 80 -12.843 7.418 1.849 601 H GLY 81 H GLY 81 -10.084 7.153 3.754 602 HA2 GLY 81 HA2 GLY 81 -9.818 6.376 6.057 603 HA3 GLY 81 HA3 GLY 81 -11.565 6.418 6.203 604 H ARG 82 H ARG 82 -10.342 5.300 3.236 605 HA ARG 82 HA ARG 82 -9.764 2.642 3.814 606 HB2 ARG 82 HB2 ARG 82 -11.842 1.627 2.715 607 HB3 ARG 82 HB3 ARG 82 -11.953 2.122 4.391 608 HG2 ARG 82 HG2 ARG 82 -13.032 4.230 3.641 609 HG3 ARG 82 HG3 ARG 82 -13.021 3.594 1.995 610 HD2 ARG 82 HD2 ARG 82 -15.180 3.277 3.195 611 HD3 ARG 82 HD3 ARG 82 -14.448 1.780 2.613 612 HE ARG 82 HE ARG 82 -13.813 1.273 4.870 613 HH11 ARG 82 HH11 ARG 82 -15.943 4.039 4.564 614 HH12 ARG 82 HH12 ARG 82 -16.511 3.929 6.207 615 HH21 ARG 82 HH21 ARG 82 -14.549 1.141 7.010 616 HH22 ARG 82 HH22 ARG 82 -15.708 2.293 7.601 617 H MET 83 H MET 83 -8.884 1.710 2.141 618 HA MET 83 HA MET 83 -8.516 3.348 -0.207 619 HB2 MET 83 HB2 MET 83 -6.761 1.708 -0.799 620 HB3 MET 83 HB3 MET 83 -6.546 2.376 0.812 621 HG2 MET 83 HG2 MET 83 -7.503 0.351 1.782 622 HG3 MET 83 HG3 MET 83 -7.719 -0.320 0.167 623 HE1 MET 83 HE1 MET 83 -3.610 0.535 2.087 624 HE2 MET 83 HE2 MET 83 -5.149 0.797 2.904 625 HE3 MET 83 HE3 MET 83 -4.693 1.814 1.536 626 H ASP 84 H ASP 84 -9.458 3.078 -2.086 627 HA ASP 84 HA ASP 84 -11.121 0.735 -2.581 628 HB2 ASP 84 HB2 ASP 84 -11.949 3.048 -3.070 629 HB3 ASP 84 HB3 ASP 84 -10.699 3.201 -4.298 630 H GLN 85 H GLN 85 -10.953 0.150 -5.174 631 HA GLN 85 HA GLN 85 -8.620 -1.365 -5.418 632 HB2 GLN 85 HB2 GLN 85 -10.604 -0.440 -7.497 633 HB3 GLN 85 HB3 GLN 85 -9.262 -1.501 -7.889 634 HG2 GLN 85 HG2 GLN 85 -11.127 -2.892 -7.602 635 HG3 GLN 85 HG3 GLN 85 -10.159 -3.086 -6.144 636 HE21 GLN 85 HE21 GLN 85 -10.948 -2.293 -4.191 637 HE22 GLN 85 HE22 GLN 85 -12.596 -1.811 -3.977 638 H VAL 86 H VAL 86 -9.324 1.879 -6.608 639 HA VAL 86 HA VAL 86 -6.908 2.045 -8.129 640 HB VAL 86 HB VAL 86 -8.853 3.363 -8.766 641 HG11 VAL 86 HG11 VAL 86 -9.791 3.822 -6.577 642 HG12 VAL 86 HG12 VAL 86 -9.557 5.318 -7.482 643 HG13 VAL 86 HG13 VAL 86 -8.430 4.879 -6.198 644 HG21 VAL 86 HG21 VAL 86 -6.494 5.044 -7.944 645 HG22 VAL 86 HG22 VAL 86 -7.746 5.541 -9.082 646 HG23 VAL 86 HG23 VAL 86 -6.697 4.175 -9.466 647 H GLU 87 H GLU 87 -7.892 3.051 -4.889 648 HA GLU 87 HA GLU 87 -5.490 4.500 -4.341 649 HB2 GLU 87 HB2 GLU 87 -7.460 3.347 -2.354 650 HB3 GLU 87 HB3 GLU 87 -6.283 4.621 -2.055 651 HG2 GLU 87 HG2 GLU 87 -8.665 4.785 -3.886 652 HG3 GLU 87 HG3 GLU 87 -8.506 5.548 -2.306 653 H PHE 88 H PHE 88 -6.683 1.263 -3.608 654 HA PHE 88 HA PHE 88 -4.486 0.374 -2.090 655 HB2 PHE 88 HB2 PHE 88 -6.506 -0.907 -2.023 656 HB3 PHE 88 HB3 PHE 88 -6.509 -1.115 -3.771 657 HD1 PHE 88 HD2 PHE 88 -4.568 -1.966 -0.724 658 HD2 PHE 88 HD1 PHE 88 -5.552 -2.998 -4.731 659 HE1 PHE 88 HE2 PHE 88 -3.323 -4.074 -0.483 660 HE2 PHE 88 HE1 PHE 88 -4.303 -5.105 -4.501 661 HZ PHE 88 HZ PHE 88 -3.186 -5.645 -2.374 662 H SER 89 H SER 89 -4.961 0.785 -5.485 663 HA SER 89 HA SER 89 -3.125 -1.063 -6.480 664 HB2 SER 89 HB2 SER 89 -4.813 0.111 -7.865 665 HB3 SER 89 HB3 SER 89 -3.888 1.601 -7.699 666 HG SER 89 HG SER 89 -2.094 0.137 -8.579 667 H ILE 90 H ILE 90 -2.548 1.833 -4.739 668 HA ILE 90 HA ILE 90 0.205 1.972 -5.764 669 HB ILE 90 HB ILE 90 -1.208 4.067 -5.715 670 HG12 ILE 90 HG12 ILE 90 1.333 4.154 -4.081 671 HG13 ILE 90 HG13 ILE 90 1.275 4.065 -5.839 672 HG21 ILE 90 HG21 ILE 90 -1.388 5.238 -3.555 673 HG22 ILE 90 HG22 ILE 90 -0.783 3.793 -2.743 674 HG23 ILE 90 HG23 ILE 90 -2.326 3.745 -3.597 675 HD11 ILE 90 HD11 ILE 90 0.214 6.305 -4.133 676 HD12 ILE 90 HD12 ILE 90 0.105 6.215 -5.891 677 HD13 ILE 90 HD13 ILE 90 1.681 6.331 -5.110 678 H ALA 91 H ALA 91 -1.638 0.994 -3.038 679 HA ALA 91 HA ALA 91 0.311 1.328 -0.997 680 HB1 ALA 91 HB1 ALA 91 -2.058 1.042 -0.490 681 HB2 ALA 91 HB2 ALA 91 -1.087 -0.190 0.316 682 HB3 ALA 91 HB3 ALA 91 -2.007 -0.601 -1.131 683 H MET 92 H MET 92 -0.143 -0.939 -3.488 684 HA MET 92 HA MET 92 0.898 -3.311 -2.637 685 HB2 MET 92 HB2 MET 92 1.597 -3.670 -4.982 686 HB3 MET 92 HB3 MET 92 -0.022 -2.992 -4.858 687 HG2 MET 92 HG2 MET 92 0.855 -0.776 -5.366 688 HG3 MET 92 HG3 MET 92 2.483 -1.436 -5.470 689 HE1 MET 92 HE1 MET 92 1.749 -0.522 -9.155 690 HE2 MET 92 HE2 MET 92 2.891 -0.404 -7.816 691 HE3 MET 92 HE3 MET 92 1.308 0.363 -7.693 692 H LYS 93 H LYS 93 2.756 -0.437 -3.600 693 HA LYS 93 HA LYS 93 5.213 -1.985 -3.282 694 HB2 LYS 93 HB2 LYS 93 6.344 -0.247 -4.498 695 HB3 LYS 93 HB3 LYS 93 4.894 -0.706 -5.377 696 HG2 LYS 93 HG2 LYS 93 4.652 1.521 -5.558 697 HG3 LYS 93 HG3 LYS 93 3.920 1.353 -3.961 698 HD2 LYS 93 HD2 LYS 93 5.414 3.077 -3.608 699 HD3 LYS 93 HD3 LYS 93 6.364 1.679 -3.111 700 HE2 LYS 93 HE2 LYS 93 6.488 2.954 -5.842 701 HE3 LYS 93 HE3 LYS 93 7.609 3.300 -4.533 702 HZ1 LYS 93 HZ1 LYS 93 8.601 1.721 -5.978 703 HZ2 LYS 93 HZ2 LYS 93 7.243 0.710 -5.948 704 HZ3 LYS 93 HZ3 LYS 93 8.194 0.901 -4.558 705 H LEU 94 H LEU 94 3.313 0.199 -1.543 706 HA LEU 94 HA LEU 94 5.398 1.587 -0.184 707 HB2 LEU 94 HB2 LEU 94 2.520 1.524 -0.078 708 HB3 LEU 94 HB3 LEU 94 3.193 1.486 1.536 709 HG LEU 94 HG LEU 94 4.546 3.485 0.982 710 HD11 LEU 94 HD11 LEU 94 2.873 3.497 -1.528 711 HD12 LEU 94 HD12 LEU 94 4.616 3.242 -1.433 712 HD13 LEU 94 HD13 LEU 94 3.928 4.804 -0.989 713 HD21 LEU 94 HD21 LEU 94 1.561 3.764 0.669 714 HD22 LEU 94 HD22 LEU 94 2.673 5.064 1.098 715 HD23 LEU 94 HD23 LEU 94 2.453 3.697 2.190 716 H ILE 95 H ILE 95 3.402 -1.222 0.630 717 HA ILE 95 HA ILE 95 4.578 -1.685 3.149 718 HB ILE 95 HB ILE 95 3.357 -3.756 1.307 719 HG12 ILE 95 HG12 ILE 95 2.009 -2.058 3.419 720 HG13 ILE 95 HG13 ILE 95 1.856 -1.819 1.682 721 HG21 ILE 95 HG21 ILE 95 2.844 -4.952 3.397 722 HG22 ILE 95 HG22 ILE 95 3.716 -3.714 4.301 723 HG23 ILE 95 HG23 ILE 95 4.580 -4.740 3.156 724 HD11 ILE 95 HD11 ILE 95 -0.075 -2.971 2.579 725 HD12 ILE 95 HD12 ILE 95 0.961 -4.244 3.221 726 HD13 ILE 95 HD13 ILE 95 0.817 -4.020 1.477 727 H LYS 96 H LYS 96 5.267 -2.857 -0.088 728 HA LYS 96 HA LYS 96 7.302 -4.676 0.482 729 HB2 LYS 96 HB2 LYS 96 6.078 -4.394 -1.686 730 HB3 LYS 96 HB3 LYS 96 7.012 -2.937 -1.977 731 HG2 LYS 96 HG2 LYS 96 8.482 -5.464 -1.457 732 HG3 LYS 96 HG3 LYS 96 7.685 -5.259 -3.017 733 HD2 LYS 96 HD2 LYS 96 8.906 -3.082 -3.255 734 HD3 LYS 96 HD3 LYS 96 9.802 -3.496 -1.789 735 HE2 LYS 96 HE2 LYS 96 10.668 -5.493 -2.847 736 HE3 LYS 96 HE3 LYS 96 9.707 -5.177 -4.289 737 HZ1 LYS 96 HZ1 LYS 96 10.990 -3.089 -4.561 738 HZ2 LYS 96 HZ2 LYS 96 11.926 -4.491 -4.694 739 HZ3 LYS 96 HZ3 LYS 96 11.988 -3.568 -3.273 740 H LEU 97 H LEU 97 7.383 -1.175 0.036 741 HA LEU 97 HA LEU 97 10.265 -1.067 0.039 742 HB2 LEU 97 HB2 LEU 97 8.878 0.528 -1.243 743 HB3 LEU 97 HB3 LEU 97 8.242 1.164 0.262 744 HG LEU 97 HG LEU 97 10.539 1.867 0.893 745 HD11 LEU 97 HD11 LEU 97 12.288 1.898 -0.795 746 HD12 LEU 97 HD12 LEU 97 11.230 1.060 -1.929 747 HD13 LEU 97 HD13 LEU 97 11.775 0.243 -0.464 748 HD21 LEU 97 HD21 LEU 97 9.480 2.928 -1.721 749 HD22 LEU 97 HD22 LEU 97 10.663 3.742 -0.696 750 HD23 LEU 97 HD23 LEU 97 9.026 3.465 -0.103 751 H LYS 98 H LYS 98 7.661 -0.434 2.347 752 HA LYS 98 HA LYS 98 9.362 0.737 4.301 753 HB2 LYS 98 HB2 LYS 98 6.572 -0.337 4.377 754 HB3 LYS 98 HB3 LYS 98 7.393 0.122 5.865 755 HG2 LYS 98 HG2 LYS 98 7.886 2.334 4.566 756 HG3 LYS 98 HG3 LYS 98 6.509 1.824 3.587 757 HD2 LYS 98 HD2 LYS 98 5.045 1.872 5.413 758 HD3 LYS 98 HD3 LYS 98 6.367 1.890 6.581 759 HE2 LYS 98 HE2 LYS 98 5.485 4.069 6.548 760 HE3 LYS 98 HE3 LYS 98 6.998 4.139 5.658 761 HZ1 LYS 98 HZ1 LYS 98 4.294 3.976 4.444 762 HZ2 LYS 98 HZ2 LYS 98 5.754 4.065 3.595 763 HZ3 LYS 98 HZ3 LYS 98 5.245 5.374 4.544 764 H LEU 99 H LEU 99 8.410 -2.561 3.599 765 HA LEU 99 HA LEU 99 9.459 -3.732 5.951 766 HB2 LEU 99 HB2 LEU 99 9.003 -4.798 3.176 767 HB3 LEU 99 HB3 LEU 99 9.672 -5.794 4.453 768 HG LEU 99 HG LEU 99 6.971 -4.442 4.570 769 HD11 LEU 99 HD11 LEU 99 7.027 -6.178 2.849 770 HD12 LEU 99 HD12 LEU 99 6.046 -6.673 4.229 771 HD13 LEU 99 HD13 LEU 99 7.672 -7.327 4.022 772 HD21 LEU 99 HD21 LEU 99 6.614 -5.904 6.500 773 HD22 LEU 99 HD22 LEU 99 7.972 -4.811 6.760 774 HD23 LEU 99 HD23 LEU 99 8.266 -6.503 6.354 775 H GLN 100 H GLN 100 10.964 -2.186 3.349 776 HA GLN 100 HA GLN 100 13.486 -3.607 3.653 777 HB2 GLN 100 HB2 GLN 100 12.570 -2.815 1.415 778 HB3 GLN 100 HB3 GLN 100 12.933 -1.179 1.942 779 HG2 GLN 100 HG2 GLN 100 14.679 -2.053 0.507 780 HG3 GLN 100 HG3 GLN 100 15.288 -1.746 2.133 781 HE21 GLN 100 HE21 GLN 100 16.985 -3.163 1.902 782 HE22 GLN 100 HE22 GLN 100 16.775 -4.884 1.864 783 H GLY 101 H GLY 101 11.854 -1.165 5.194 784 HA2 GLY 101 HA2 GLY 101 12.693 -0.113 7.132 785 HA3 GLY 101 HA3 GLY 101 14.322 -0.296 6.500 786 H TYR 102 H TYR 102 11.322 1.253 5.335 787 HA TYR 102 HA TYR 102 12.782 3.783 5.170 788 HB2 TYR 102 HB2 TYR 102 11.205 2.516 2.936 789 HB3 TYR 102 HB3 TYR 102 11.613 4.221 2.970 790 HD1 TYR 102 HD1 TYR 102 13.911 4.961 2.672 791 HD2 TYR 102 HD2 TYR 102 12.895 0.834 2.467 792 HE1 TYR 102 HE1 TYR 102 16.075 4.488 1.609 793 HE2 TYR 102 HE2 TYR 102 15.060 0.349 1.409 794 HH TYR 102 HH TYR 102 17.613 2.543 1.363 795 H GLN 103 H GLN 103 11.377 5.632 4.908 796 HA GLN 103 HA GLN 103 8.570 5.236 5.562 797 HB2 GLN 103 HB2 GLN 103 8.596 6.926 7.335 798 HB3 GLN 103 HB3 GLN 103 9.617 5.560 7.754 799 HG2 GLN 103 HG2 GLN 103 10.756 8.048 6.536 800 HG3 GLN 103 HG3 GLN 103 10.462 7.915 8.268 801 HE21 GLN 103 HE21 GLN 103 12.965 8.210 6.783 802 HE22 GLN 103 HE22 GLN 103 13.957 6.872 7.273 803 H LEU 104 H LEU 104 7.382 7.361 5.385 804 HA LEU 104 HA LEU 104 8.617 9.200 3.474 805 HB2 LEU 104 HB2 LEU 104 6.037 7.694 3.029 806 HB3 LEU 104 HB3 LEU 104 6.470 9.131 2.136 807 HG LEU 104 HG LEU 104 8.586 7.754 1.459 808 HD11 LEU 104 HD11 LEU 104 6.656 5.558 2.200 809 HD12 LEU 104 HD12 LEU 104 8.218 5.874 2.958 810 HD13 LEU 104 HD13 LEU 104 8.142 5.351 1.274 811 HD21 LEU 104 HD21 LEU 104 7.353 6.879 -0.471 812 HD22 LEU 104 HD22 LEU 104 6.871 8.528 -0.078 813 HD23 LEU 104 HD23 LEU 104 5.833 7.173 0.371 814 HA PRO 105 HA PRO 105 5.861 12.116 5.572 815 HB2 PRO 105 HB2 PRO 105 5.317 13.473 3.043 816 HB3 PRO 105 HB3 PRO 105 6.192 14.067 4.455 817 HG2 PRO 105 HG2 PRO 105 7.425 13.500 2.120 818 HG3 PRO 105 HG3 PRO 105 8.219 13.295 3.692 819 HD2 PRO 105 HD2 PRO 105 6.949 11.234 1.925 820 HD3 PRO 105 HD3 PRO 105 8.466 11.146 2.846 821 H SER 106 H SER 106 3.615 13.317 4.786 822 HA SER 106 HA SER 106 1.817 11.074 4.443 823 HB2 SER 106 HB2 SER 106 1.240 14.005 4.917 824 HB3 SER 106 HB3 SER 106 0.057 12.701 4.980 825 HG SER 106 HG SER 106 2.273 12.253 6.545 826 H ALA 107 H ALA 107 3.390 13.118 2.379 827 HA ALA 107 HA ALA 107 1.333 12.693 0.316 828 HB1 ALA 107 HB1 ALA 107 1.496 15.071 0.871 829 HB2 ALA 107 HB2 ALA 107 2.031 14.750 -0.779 830 HB3 ALA 107 HB3 ALA 107 3.220 15.038 0.490 831 H LEU 108 H LEU 108 1.996 11.193 -1.052 832 HA LEU 108 HA LEU 108 4.839 10.818 -1.540 833 HB2 LEU 108 HB2 LEU 108 4.012 8.864 -2.939 834 HB3 LEU 108 HB3 LEU 108 3.772 8.767 -1.209 835 HG LEU 108 HG LEU 108 1.379 9.597 -1.680 836 HD11 LEU 108 HD11 LEU 108 1.739 10.320 -3.984 837 HD12 LEU 108 HD12 LEU 108 0.505 9.064 -3.891 838 HD13 LEU 108 HD13 LEU 108 2.130 8.664 -4.447 839 HD21 LEU 108 HD21 LEU 108 0.619 7.331 -2.125 840 HD22 LEU 108 HD22 LEU 108 1.953 7.329 -0.971 841 HD23 LEU 108 HD23 LEU 108 2.239 6.877 -2.652 842 HA PRO 109 HA PRO 109 5.294 13.064 -5.241 843 HB2 PRO 109 HB2 PRO 109 6.307 10.597 -6.570 844 HB3 PRO 109 HB3 PRO 109 7.068 12.184 -6.414 845 HG2 PRO 109 HG2 PRO 109 7.903 10.149 -4.930 846 HG3 PRO 109 HG3 PRO 109 7.766 11.777 -4.233 847 HD2 PRO 109 HD2 PRO 109 5.944 9.423 -3.930 848 HD3 PRO 109 HD3 PRO 109 6.453 10.616 -2.718 849 HA PRO 110 HA PRO 110 1.806 12.404 -7.844 850 HB2 PRO 110 HB2 PRO 110 3.197 13.881 -9.965 851 HB3 PRO 110 HB3 PRO 110 1.748 14.323 -9.056 852 HG2 PRO 110 HG2 PRO 110 4.093 15.587 -8.689 853 HG3 PRO 110 HG3 PRO 110 2.958 15.311 -7.354 854 HD2 PRO 110 HD2 PRO 110 5.452 13.809 -8.065 855 HD3 PRO 110 HD3 PRO 110 4.866 14.325 -6.467 856 H VAL 111 H VAL 111 4.952 11.434 -8.823 857 HA VAL 111 HA VAL 111 4.316 10.329 -11.356 858 HB VAL 111 HB VAL 111 6.558 9.476 -9.512 859 HG11 VAL 111 HG11 VAL 111 7.703 8.849 -11.586 860 HG12 VAL 111 HG12 VAL 111 6.276 9.317 -12.511 861 HG13 VAL 111 HG13 VAL 111 6.191 7.963 -11.386 862 HG21 VAL 111 HG21 VAL 111 6.595 11.900 -9.827 863 HG22 VAL 111 HG22 VAL 111 6.548 11.677 -11.576 864 HG23 VAL 111 HG23 VAL 111 7.948 11.128 -10.654 865 H MET 112 H MET 112 3.939 9.237 -8.103 866 HA MET 112 HA MET 112 3.738 6.447 -8.679 867 HB2 MET 112 HB2 MET 112 3.068 8.143 -6.290 868 HB3 MET 112 HB3 MET 112 2.681 6.431 -6.332 869 HG2 MET 112 HG2 MET 112 5.459 7.204 -6.988 870 HG3 MET 112 HG3 MET 112 4.942 7.382 -5.314 871 HE1 MET 112 HE1 MET 112 4.784 3.335 -7.563 872 HE2 MET 112 HE2 MET 112 5.355 4.827 -8.314 873 HE3 MET 112 HE3 MET 112 3.656 4.652 -7.876 874 H LYS 113 H LYS 113 1.555 9.125 -8.757 875 HA LYS 113 HA LYS 113 -0.745 7.305 -8.989 876 HB2 LYS 113 HB2 LYS 113 -2.134 9.325 -8.578 877 HB3 LYS 113 HB3 LYS 113 -1.052 8.942 -7.245 878 HG2 LYS 113 HG2 LYS 113 0.484 10.674 -7.966 879 HG3 LYS 113 HG3 LYS 113 -0.550 11.039 -9.346 880 HD2 LYS 113 HD2 LYS 113 -0.955 12.653 -7.616 881 HD3 LYS 113 HD3 LYS 113 -2.372 11.613 -7.766 882 HE2 LYS 113 HE2 LYS 113 -1.579 10.293 -5.845 883 HE3 LYS 113 HE3 LYS 113 -0.198 11.377 -5.683 884 HZ1 LYS 113 HZ1 LYS 113 -1.697 12.201 -4.155 885 HZ2 LYS 113 HZ2 LYS 113 -3.048 11.914 -5.140 886 HZ3 LYS 113 HZ3 LYS 113 -1.996 13.194 -5.500 887 H GLN 114 H GLN 114 1.401 9.006 -10.796 888 HA GLN 114 HA GLN 114 1.585 9.618 -12.953 889 HB2 GLN 114 HB2 GLN 114 -0.976 8.054 -13.297 890 HB3 GLN 114 HB3 GLN 114 0.063 8.609 -14.601 891 HG2 GLN 114 HG2 GLN 114 1.901 7.238 -13.625 892 HG3 GLN 114 HG3 GLN 114 0.731 6.587 -12.479 893 HE21 GLN 114 HE21 GLN 114 1.789 6.656 -15.772 894 HE22 GLN 114 HE22 GLN 114 0.833 5.322 -16.322 895 H GLN 115 H GLN 115 -0.061 10.438 -14.880 896 HA GLN 115 HA GLN 115 -0.708 12.482 -15.625 897 HB2 GLN 115 HB2 GLN 115 -3.101 12.910 -15.146 898 HB3 GLN 115 HB3 GLN 115 -2.745 11.282 -15.690 899 HG2 GLN 115 HG2 GLN 115 -2.882 10.488 -13.395 900 HG3 GLN 115 HG3 GLN 115 -3.256 12.120 -12.847 901 HE21 GLN 115 HE21 GLN 115 -4.469 10.852 -15.848 902 HE22 GLN 115 HE22 GLN 115 -6.121 10.728 -15.365 903 HA PRO 116 HA PRO 116 0.696 15.349 -12.339 904 HB2 PRO 116 HB2 PRO 116 1.309 16.767 -14.866 905 HB3 PRO 116 HB3 PRO 116 2.329 16.509 -13.449 906 HG2 PRO 116 HG2 PRO 116 2.681 15.173 -15.760 907 HG3 PRO 116 HG3 PRO 116 3.059 14.469 -14.181 908 HD2 PRO 116 HD2 PRO 116 0.799 13.890 -16.014 909 HD3 PRO 116 HD3 PRO 116 1.577 12.853 -14.809 910 H VAL 117 H VAL 117 -0.557 16.965 -11.602 911 HA VAL 117 HA VAL 117 -2.970 17.575 -13.085 912 HB VAL 117 HB VAL 117 -3.689 18.765 -11.023 913 HG11 VAL 117 HG11 VAL 117 -2.718 15.935 -10.616 914 HG12 VAL 117 HG12 VAL 117 -4.250 16.417 -11.346 915 HG13 VAL 117 HG13 VAL 117 -3.942 16.749 -9.642 916 HG21 VAL 117 HG21 VAL 117 -1.501 19.452 -10.188 917 HG22 VAL 117 HG22 VAL 117 -1.064 17.767 -9.908 918 HG23 VAL 117 HG23 VAL 117 -2.362 18.508 -8.972 919 H ALA 118 H ALA 118 -3.571 19.553 -13.851 920 HA ALA 118 HA ALA 118 -1.455 21.530 -14.153 921 HB1 ALA 118 HB1 ALA 118 -2.951 22.575 -15.779 922 HB2 ALA 118 HB2 ALA 118 -4.221 21.427 -15.357 923 HB3 ALA 118 HB3 ALA 118 -2.737 20.859 -16.125 924 H ILE 119 H ILE 119 -3.588 20.897 -11.832 925 HA ILE 119 HA ILE 119 -4.525 23.603 -11.340 926 HB ILE 119 HB ILE 119 -4.848 21.107 -9.660 927 HG12 ILE 119 HG12 ILE 119 -5.986 20.907 -11.817 928 HG13 ILE 119 HG13 ILE 119 -7.158 21.079 -10.518 929 HG21 ILE 119 HG21 ILE 119 -6.209 23.788 -9.438 930 HG22 ILE 119 HG22 ILE 119 -5.004 23.139 -8.326 931 HG23 ILE 119 HG23 ILE 119 -6.579 22.359 -8.471 932 HD11 ILE 119 HD11 ILE 119 -7.781 22.381 -12.481 933 HD12 ILE 119 HD12 ILE 119 -6.265 23.275 -12.369 934 HD13 ILE 119 HD13 ILE 119 -7.470 23.421 -11.090 935 H SER 120 H SER 120 -2.895 24.910 -10.742 936 HA SER 120 HA SER 120 -1.405 24.164 -8.335 937 HB2 SER 120 HB2 SER 120 0.058 23.769 -10.296 938 HB3 SER 120 HB3 SER 120 -0.176 25.445 -10.793 939 HG SER 120 HG SER 120 1.164 26.099 -9.283 940 H SER 121 H SER 121 -0.832 25.902 -7.016 941 HA SER 121 HA SER 121 -1.578 28.585 -7.862 942 HB2 SER 121 HB2 SER 121 -2.681 27.302 -5.347 943 HB3 SER 121 HB3 SER 121 -2.890 28.991 -5.813 944 HG SER 121 HG SER 121 -3.611 27.332 -7.826 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -24.192 -28.875 -17.108 2 H2 MET 1 H2 MET 1 -22.662 -29.576 -17.331 3 H3 MET 1 H3 MET 1 -22.798 -27.925 -16.969 4 HA MET 1 HA MET 1 -23.738 -28.454 -14.813 5 HB2 MET 1 HB2 MET 1 -23.059 -31.296 -15.607 6 HB3 MET 1 HB3 MET 1 -23.564 -30.788 -14.001 7 HG2 MET 1 HG2 MET 1 -25.712 -30.048 -14.936 8 HG3 MET 1 HG3 MET 1 -25.202 -30.633 -16.519 9 HE1 MET 1 HE1 MET 1 -26.256 -31.571 -12.882 10 HE2 MET 1 HE2 MET 1 -24.629 -32.251 -12.938 11 HE3 MET 1 HE3 MET 1 -26.026 -33.321 -12.853 12 H GLY 2 H GLY 2 -22.259 -29.537 -12.984 13 HA2 GLY 2 HA2 GLY 2 -19.745 -28.197 -13.324 14 HA3 GLY 2 HA3 GLY 2 -20.298 -29.033 -11.883 15 H HIS 3 H HIS 3 -18.976 -29.581 -15.115 16 HA HIS 3 HA HIS 3 -17.423 -31.805 -13.976 17 HB2 HIS 3 HB2 HIS 3 -18.704 -31.651 -16.706 18 HB3 HIS 3 HB3 HIS 3 -17.432 -32.798 -16.309 19 HD1 HIS 3 HD1 HIS 3 -18.047 -34.774 -14.765 20 HD2 HIS 3 HD2 HIS 3 -21.217 -32.226 -15.640 21 HE1 HIS 3 HE1 HIS 3 -20.124 -35.990 -14.033 22 HE2 HIS 3 HE2 HIS 3 -22.034 -34.514 -14.761 23 H HIS 4 H HIS 4 -15.591 -30.669 -13.614 24 HA HIS 4 HA HIS 4 -14.418 -29.070 -15.733 25 HB2 HIS 4 HB2 HIS 4 -14.275 -28.395 -13.334 26 HB3 HIS 4 HB3 HIS 4 -13.287 -29.815 -13.026 27 HD1 HIS 4 HD1 HIS 4 -13.172 -26.633 -15.117 28 HD2 HIS 4 HD2 HIS 4 -10.627 -29.403 -13.334 29 HE1 HIS 4 HE1 HIS 4 -10.848 -25.692 -15.373 30 HE2 HIS 4 HE2 HIS 4 -9.354 -27.306 -14.141 31 H HIS 5 H HIS 5 -13.299 -29.966 -17.292 32 HA HIS 5 HA HIS 5 -12.758 -32.728 -17.409 33 HB2 HIS 5 HB2 HIS 5 -13.176 -31.285 -19.375 34 HB3 HIS 5 HB3 HIS 5 -11.628 -30.494 -19.114 35 HD1 HIS 5 HD1 HIS 5 -13.045 -33.886 -20.052 36 HD2 HIS 5 HD2 HIS 5 -9.500 -31.720 -20.308 37 HE1 HIS 5 HE1 HIS 5 -11.518 -35.247 -21.518 38 HE2 HIS 5 HE2 HIS 5 -9.345 -33.968 -21.583 39 H HIS 6 H HIS 6 -10.885 -30.072 -16.253 40 HA HIS 6 HA HIS 6 -8.915 -29.933 -15.150 41 HB2 HIS 6 HB2 HIS 6 -9.810 -31.901 -13.893 42 HB3 HIS 6 HB3 HIS 6 -8.989 -32.958 -15.037 43 HD1 HIS 6 HD1 HIS 6 -6.651 -33.592 -14.460 44 HD2 HIS 6 HD2 HIS 6 -7.922 -30.225 -12.377 45 HE1 HIS 6 HE1 HIS 6 -4.817 -33.075 -12.823 46 HE2 HIS 6 HE2 HIS 6 -5.653 -31.108 -11.493 47 H HIS 7 H HIS 7 -8.151 -29.155 -17.189 48 HA HIS 7 HA HIS 7 -6.854 -30.834 -19.069 49 HB2 HIS 7 HB2 HIS 7 -7.718 -28.649 -19.710 50 HB3 HIS 7 HB3 HIS 7 -6.613 -27.852 -18.599 51 HD1 HIS 7 HD1 HIS 7 -4.575 -26.961 -19.660 52 HD2 HIS 7 HD2 HIS 7 -6.158 -30.157 -21.801 53 HE1 HIS 7 HE1 HIS 7 -3.124 -27.194 -21.704 54 HE2 HIS 7 HE2 HIS 7 -4.239 -28.988 -23.088 55 H HIS 8 H HIS 8 -5.832 -29.333 -16.112 56 HA HIS 8 HA HIS 8 -3.872 -29.309 -14.968 57 HB2 HIS 8 HB2 HIS 8 -3.772 -31.704 -15.199 58 HB3 HIS 8 HB3 HIS 8 -3.230 -31.580 -16.865 59 HD1 HIS 8 HD1 HIS 8 -0.938 -32.479 -16.910 60 HD2 HIS 8 HD2 HIS 8 -1.556 -30.017 -13.611 61 HE1 HIS 8 HE1 HIS 8 1.287 -32.320 -15.751 62 HE2 HIS 8 HE2 HIS 8 0.933 -30.684 -13.873 63 H SER 9 H SER 9 -3.277 -27.271 -15.487 64 HA SER 9 HA SER 9 -2.459 -26.312 -17.948 65 HB2 SER 9 HB2 SER 9 -1.618 -25.269 -15.233 66 HB3 SER 9 HB3 SER 9 -1.667 -24.355 -16.741 67 HG SER 9 HG SER 9 -3.532 -24.084 -15.317 68 H HIS 10 H HIS 10 -0.889 -27.197 -19.100 69 HA HIS 10 HA HIS 10 1.643 -27.887 -17.769 70 HB2 HIS 10 HB2 HIS 10 0.381 -29.715 -18.968 71 HB3 HIS 10 HB3 HIS 10 0.648 -28.834 -20.469 72 HD1 HIS 10 HD1 HIS 10 2.056 -30.720 -21.491 73 HD2 HIS 10 HD2 HIS 10 3.578 -29.239 -17.912 74 HE1 HIS 10 HE1 HIS 10 4.372 -31.688 -21.280 75 HE2 HIS 10 HE2 HIS 10 5.274 -30.794 -19.099 76 H MET 11 H MET 11 2.785 -26.034 -17.839 77 HA MET 11 HA MET 11 3.244 -24.845 -20.488 78 HB2 MET 11 HB2 MET 11 3.335 -22.612 -19.410 79 HB3 MET 11 HB3 MET 11 1.746 -23.357 -19.284 80 HG2 MET 11 HG2 MET 11 2.271 -24.038 -16.986 81 HG3 MET 11 HG3 MET 11 3.832 -23.232 -17.118 82 HE1 MET 11 HE1 MET 11 1.789 -20.918 -14.681 83 HE2 MET 11 HE2 MET 11 3.286 -21.824 -14.903 84 HE3 MET 11 HE3 MET 11 1.747 -22.678 -14.789 85 H ALA 12 H ALA 12 5.310 -24.014 -20.854 86 HA ALA 12 HA ALA 12 7.311 -24.571 -18.764 87 HB1 ALA 12 HB1 ALA 12 7.310 -26.440 -20.343 88 HB2 ALA 12 HB2 ALA 12 8.817 -25.528 -20.415 89 HB3 ALA 12 HB3 ALA 12 7.597 -25.316 -21.671 90 H GLN 13 H GLN 13 5.972 -22.348 -20.814 91 HA GLN 13 HA GLN 13 8.475 -20.913 -21.288 92 HB2 GLN 13 HB2 GLN 13 6.918 -21.145 -23.179 93 HB3 GLN 13 HB3 GLN 13 5.675 -20.308 -22.259 94 HG2 GLN 13 HG2 GLN 13 7.130 -18.313 -22.174 95 HG3 GLN 13 HG3 GLN 13 8.294 -19.157 -23.191 96 HE21 GLN 13 HE21 GLN 13 7.829 -19.512 -25.342 97 HE22 GLN 13 HE22 GLN 13 6.564 -18.651 -26.165 98 H PHE 14 H PHE 14 9.040 -19.127 -20.232 99 HA PHE 14 HA PHE 14 7.077 -17.566 -18.780 100 HB2 PHE 14 HB2 PHE 14 8.555 -17.581 -16.719 101 HB3 PHE 14 HB3 PHE 14 7.679 -19.074 -17.027 102 HD1 PHE 14 HD1 PHE 14 10.975 -17.469 -17.011 103 HD2 PHE 14 HD2 PHE 14 8.831 -21.097 -17.609 104 HE1 PHE 14 HE1 PHE 14 13.085 -18.733 -16.888 105 HE2 PHE 14 HE2 PHE 14 10.935 -22.365 -17.489 106 HZ PHE 14 HZ PHE 14 13.065 -21.182 -17.127 107 HA PRO 15 HA PRO 15 9.521 -14.216 -20.235 108 HB2 PRO 15 HB2 PRO 15 9.450 -12.504 -18.077 109 HB3 PRO 15 HB3 PRO 15 8.159 -12.671 -19.271 110 HG2 PRO 15 HG2 PRO 15 8.394 -13.875 -16.550 111 HG3 PRO 15 HG3 PRO 15 6.974 -13.206 -17.371 112 HD2 PRO 15 HD2 PRO 15 7.387 -15.862 -17.176 113 HD3 PRO 15 HD3 PRO 15 6.620 -15.133 -18.603 114 H THR 16 H THR 16 11.598 -13.999 -20.428 115 HA THR 16 HA THR 16 13.376 -15.063 -18.398 116 HB THR 16 HB THR 16 13.673 -15.606 -20.817 117 HG1 THR 16 HG1 THR 16 15.985 -14.181 -20.082 118 HG21 THR 16 HG21 THR 16 13.070 -13.447 -21.777 119 HG22 THR 16 HG22 THR 16 14.674 -13.946 -22.312 120 HG23 THR 16 HG23 THR 16 14.504 -12.716 -21.059 121 HA PRO 17 HA PRO 17 14.437 -11.203 -16.513 122 HB2 PRO 17 HB2 PRO 17 17.104 -11.679 -16.005 123 HB3 PRO 17 HB3 PRO 17 15.771 -12.233 -14.990 124 HG2 PRO 17 HG2 PRO 17 17.333 -13.725 -17.050 125 HG3 PRO 17 HG3 PRO 17 16.713 -14.283 -15.485 126 HD2 PRO 17 HD2 PRO 17 15.508 -14.903 -17.811 127 HD3 PRO 17 HD3 PRO 17 14.586 -14.648 -16.316 128 H PHE 18 H PHE 18 14.785 -9.351 -17.436 129 HA PHE 18 HA PHE 18 16.821 -9.135 -19.554 130 HB2 PHE 18 HB2 PHE 18 15.365 -7.467 -20.658 131 HB3 PHE 18 HB3 PHE 18 14.599 -9.046 -20.552 132 HD1 PHE 18 HD1 PHE 18 12.863 -9.421 -18.741 133 HD2 PHE 18 HD2 PHE 18 14.347 -5.565 -19.766 134 HE1 PHE 18 HE1 PHE 18 10.898 -8.383 -17.681 135 HE2 PHE 18 HE2 PHE 18 12.391 -4.524 -18.701 136 HZ PHE 18 HZ PHE 18 10.662 -5.932 -17.657 137 H GLY 19 H GLY 19 17.145 -6.601 -19.964 138 HA2 GLY 19 HA2 GLY 19 18.594 -5.698 -17.732 139 HA3 GLY 19 HA3 GLY 19 18.233 -4.754 -19.166 140 H GLY 20 H GLY 20 18.180 -4.337 -16.106 141 HA2 GLY 20 HA2 GLY 20 15.573 -2.960 -16.083 142 HA3 GLY 20 HA3 GLY 20 16.113 -3.891 -14.690 143 H SER 21 H SER 21 15.657 -0.899 -15.499 144 HA SER 21 HA SER 21 18.225 0.275 -14.918 145 HB2 SER 21 HB2 SER 21 15.503 1.575 -15.187 146 HB3 SER 21 HB3 SER 21 17.058 2.409 -15.169 147 HG SER 21 HG SER 21 17.601 1.245 -17.083 148 H LEU 22 H LEU 22 18.003 2.260 -13.277 149 HA LEU 22 HA LEU 22 17.319 1.055 -10.710 150 HB2 LEU 22 HB2 LEU 22 18.780 3.593 -11.438 151 HB3 LEU 22 HB3 LEU 22 18.365 3.175 -9.791 152 HG LEU 22 HG LEU 22 19.728 1.059 -10.110 153 HD11 LEU 22 HD11 LEU 22 19.805 1.067 -12.555 154 HD12 LEU 22 HD12 LEU 22 21.423 1.079 -11.855 155 HD13 LEU 22 HD13 LEU 22 20.740 2.563 -12.520 156 HD21 LEU 22 HD21 LEU 22 20.497 2.982 -8.817 157 HD22 LEU 22 HD22 LEU 22 21.142 3.716 -10.286 158 HD23 LEU 22 HD23 LEU 22 21.831 2.211 -9.678 159 H ASP 23 H ASP 23 15.744 1.819 -9.349 160 HA ASP 23 HA ASP 23 14.342 4.243 -9.804 161 HB2 ASP 23 HB2 ASP 23 13.288 3.099 -11.618 162 HB3 ASP 23 HB3 ASP 23 13.035 1.655 -10.645 163 H THR 24 H THR 24 12.730 4.618 -8.269 164 HA THR 24 HA THR 24 12.617 2.766 -6.000 165 HB THR 24 HB THR 24 13.093 5.735 -5.718 166 HG1 THR 24 HG1 THR 24 14.858 3.994 -6.421 167 HG21 THR 24 HG21 THR 24 11.892 4.794 -3.830 168 HG22 THR 24 HG22 THR 24 13.550 5.165 -3.353 169 HG23 THR 24 HG23 THR 24 13.079 3.497 -3.685 170 H TRP 25 H TRP 25 11.240 5.458 -7.801 171 HA TRP 25 HA TRP 25 8.867 5.389 -6.072 172 HB2 TRP 25 HB2 TRP 25 10.136 7.647 -7.603 173 HB3 TRP 25 HB3 TRP 25 8.525 7.748 -6.913 174 HD1 TRP 25 HD1 TRP 25 11.831 8.829 -6.103 175 HE1 TRP 25 HE1 TRP 25 12.197 9.092 -3.561 176 HE3 TRP 25 HE3 TRP 25 7.786 6.196 -4.433 177 HZ2 TRP 25 HZ2 TRP 25 10.923 8.275 -1.169 178 HZ3 TRP 25 HZ3 TRP 25 7.431 5.979 -2.014 179 HH2 TRP 25 HH2 TRP 25 8.964 6.995 -0.414 180 H ALA 26 H ALA 26 9.971 4.850 -9.254 181 HA ALA 26 HA ALA 26 7.418 5.461 -10.487 182 HB1 ALA 26 HB1 ALA 26 9.474 5.794 -11.762 183 HB2 ALA 26 HB2 ALA 26 8.416 4.622 -12.552 184 HB3 ALA 26 HB3 ALA 26 9.828 4.070 -11.650 185 H ILE 27 H ILE 27 6.301 3.770 -11.797 186 HA ILE 27 HA ILE 27 6.271 1.223 -10.327 187 HB ILE 27 HB ILE 27 3.952 2.543 -11.749 188 HG12 ILE 27 HG12 ILE 27 4.470 2.186 -8.789 189 HG13 ILE 27 HG13 ILE 27 4.614 3.706 -9.665 190 HG21 ILE 27 HG21 ILE 27 4.035 0.060 -10.038 191 HG22 ILE 27 HG22 ILE 27 3.847 0.094 -11.791 192 HG23 ILE 27 HG23 ILE 27 2.592 0.774 -10.754 193 HD11 ILE 27 HD11 ILE 27 2.221 3.618 -10.175 194 HD12 ILE 27 HD12 ILE 27 2.533 3.607 -8.439 195 HD13 ILE 27 HD13 ILE 27 2.094 2.112 -9.266 196 H THR 28 H THR 28 7.617 0.069 -11.612 197 HA THR 28 HA THR 28 7.404 -0.007 -14.462 198 HB THR 28 HB THR 28 8.785 -1.972 -12.609 199 HG1 THR 28 HG1 THR 28 9.808 -0.119 -12.171 200 HG21 THR 28 HG21 THR 28 10.252 -2.393 -14.535 201 HG22 THR 28 HG22 THR 28 9.275 -1.303 -15.517 202 HG23 THR 28 HG23 THR 28 8.578 -2.801 -14.901 203 H VAL 29 H VAL 29 6.978 -2.144 -15.607 204 HA VAL 29 HA VAL 29 4.402 -3.014 -15.322 205 HB VAL 29 HB VAL 29 5.746 -3.439 -17.312 206 HG11 VAL 29 HG11 VAL 29 7.144 -5.541 -15.671 207 HG12 VAL 29 HG12 VAL 29 7.852 -4.050 -16.291 208 HG13 VAL 29 HG13 VAL 29 7.327 -5.308 -17.410 209 HG21 VAL 29 HG21 VAL 29 3.724 -4.733 -17.017 210 HG22 VAL 29 HG22 VAL 29 4.607 -5.948 -16.094 211 HG23 VAL 29 HG23 VAL 29 4.957 -5.713 -17.807 212 H GLU 30 H GLU 30 7.280 -4.385 -13.799 213 HA GLU 30 HA GLU 30 6.125 -6.639 -12.628 214 HB2 GLU 30 HB2 GLU 30 8.532 -4.992 -12.194 215 HB3 GLU 30 HB3 GLU 30 7.986 -5.890 -10.787 216 HG2 GLU 30 HG2 GLU 30 8.431 -7.175 -13.463 217 HG3 GLU 30 HG3 GLU 30 9.696 -7.026 -12.241 218 H GLU 31 H GLU 31 6.623 -3.421 -11.171 219 HA GLU 31 HA GLU 31 5.272 -4.000 -8.774 220 HB2 GLU 31 HB2 GLU 31 5.563 -1.284 -10.079 221 HB3 GLU 31 HB3 GLU 31 5.284 -1.611 -8.375 222 HG2 GLU 31 HG2 GLU 31 7.764 -2.288 -9.943 223 HG3 GLU 31 HG3 GLU 31 7.590 -1.002 -8.749 224 H ARG 32 H ARG 32 4.201 -2.830 -11.890 225 HA ARG 32 HA ARG 32 1.573 -2.105 -11.140 226 HB2 ARG 32 HB2 ARG 32 2.884 -1.561 -13.302 227 HB3 ARG 32 HB3 ARG 32 2.320 -3.125 -13.874 228 HG2 ARG 32 HG2 ARG 32 0.805 -1.527 -14.714 229 HG3 ARG 32 HG3 ARG 32 -0.023 -2.318 -13.370 230 HD2 ARG 32 HD2 ARG 32 0.612 -0.452 -11.903 231 HD3 ARG 32 HD3 ARG 32 1.399 0.342 -13.263 232 HE ARG 32 HE ARG 32 -1.477 -0.270 -13.388 233 HH11 ARG 32 HH11 ARG 32 1.146 2.057 -13.418 234 HH12 ARG 32 HH12 ARG 32 0.108 3.417 -13.743 235 HH21 ARG 32 HH21 ARG 32 -2.841 1.513 -13.848 236 HH22 ARG 32 HH22 ARG 32 -2.156 3.102 -13.995 237 H ALA 33 H ALA 33 3.013 -5.118 -12.284 238 HA ALA 33 HA ALA 33 0.514 -6.519 -12.388 239 HB1 ALA 33 HB1 ALA 33 2.361 -7.104 -13.872 240 HB2 ALA 33 HB2 ALA 33 1.860 -8.479 -12.889 241 HB3 ALA 33 HB3 ALA 33 3.327 -7.589 -12.478 242 H LYS 34 H LYS 34 3.097 -6.133 -10.061 243 HA LYS 34 HA LYS 34 2.604 -8.318 -8.413 244 HB2 LYS 34 HB2 LYS 34 3.823 -5.629 -7.941 245 HB3 LYS 34 HB3 LYS 34 3.549 -6.711 -6.584 246 HG2 LYS 34 HG2 LYS 34 5.212 -7.301 -9.024 247 HG3 LYS 34 HG3 LYS 34 5.813 -6.930 -7.406 248 HD2 LYS 34 HD2 LYS 34 4.531 -8.937 -6.592 249 HD3 LYS 34 HD3 LYS 34 4.241 -9.346 -8.282 250 HE2 LYS 34 HE2 LYS 34 6.946 -9.057 -6.976 251 HE3 LYS 34 HE3 LYS 34 6.151 -10.577 -7.374 252 HZ1 LYS 34 HZ1 LYS 34 7.082 -8.511 -9.291 253 HZ2 LYS 34 HZ2 LYS 34 6.196 -9.882 -9.725 254 HZ3 LYS 34 HZ3 LYS 34 7.744 -10.049 -9.061 255 H HIS 35 H HIS 35 0.818 -5.330 -8.676 256 HA HIS 35 HA HIS 35 -0.315 -5.389 -6.106 257 HB2 HIS 35 HB2 HIS 35 -1.914 -3.777 -6.825 258 HB3 HIS 35 HB3 HIS 35 -0.361 -3.387 -7.521 259 HD1 HIS 35 HD1 HIS 35 -1.840 -1.841 -9.092 260 HD2 HIS 35 HD2 HIS 35 -2.334 -5.935 -9.657 261 HE1 HIS 35 HE1 HIS 35 -2.994 -2.089 -11.308 262 HE2 HIS 35 HE2 HIS 35 -3.436 -4.552 -11.549 263 H ASP 36 H ASP 36 -1.094 -7.149 -8.953 264 HA ASP 36 HA ASP 36 -3.685 -8.031 -8.128 265 HB2 ASP 36 HB2 ASP 36 -3.040 -8.144 -10.480 266 HB3 ASP 36 HB3 ASP 36 -1.732 -9.253 -10.088 267 H GLN 37 H GLN 37 -0.470 -9.488 -8.065 268 HA GLN 37 HA GLN 37 -1.180 -11.906 -6.838 269 HB2 GLN 37 HB2 GLN 37 1.425 -10.384 -6.921 270 HB3 GLN 37 HB3 GLN 37 1.270 -12.005 -6.255 271 HG2 GLN 37 HG2 GLN 37 0.806 -12.947 -8.335 272 HG3 GLN 37 HG3 GLN 37 0.382 -11.391 -9.047 273 HE21 GLN 37 HE21 GLN 37 1.976 -10.059 -9.801 274 HE22 GLN 37 HE22 GLN 37 3.623 -10.559 -9.985 275 H GLN 38 H GLN 38 -0.290 -8.763 -5.512 276 HA GLN 38 HA GLN 38 -0.238 -9.693 -2.796 277 HB2 GLN 38 HB2 GLN 38 -0.435 -6.879 -3.893 278 HB3 GLN 38 HB3 GLN 38 -0.127 -7.296 -2.213 279 HG2 GLN 38 HG2 GLN 38 1.649 -7.919 -4.562 280 HG3 GLN 38 HG3 GLN 38 1.924 -6.679 -3.340 281 HE21 GLN 38 HE21 GLN 38 3.562 -8.966 -4.116 282 HE22 GLN 38 HE22 GLN 38 3.799 -9.906 -2.684 283 H PHE 39 H PHE 39 -2.588 -8.084 -4.879 284 HA PHE 39 HA PHE 39 -4.571 -7.501 -2.998 285 HB2 PHE 39 HB2 PHE 39 -4.349 -7.051 -5.622 286 HB3 PHE 39 HB3 PHE 39 -5.381 -8.471 -5.703 287 HD1 PHE 39 HD1 PHE 39 -7.378 -8.276 -3.791 288 HD2 PHE 39 HD2 PHE 39 -5.438 -5.087 -5.834 289 HE1 PHE 39 HE1 PHE 39 -9.340 -6.837 -3.409 290 HE2 PHE 39 HE2 PHE 39 -7.393 -3.649 -5.454 291 HZ PHE 39 HZ PHE 39 -9.347 -4.525 -4.242 292 H HIS 40 H HIS 40 -3.782 -10.433 -4.709 293 HA HIS 40 HA HIS 40 -6.029 -11.989 -4.241 294 HB2 HIS 40 HB2 HIS 40 -3.857 -12.434 -5.615 295 HB3 HIS 40 HB3 HIS 40 -3.261 -13.148 -4.124 296 HD1 HIS 40 HD1 HIS 40 -5.057 -13.948 -7.126 297 HD2 HIS 40 HD2 HIS 40 -5.059 -15.346 -3.207 298 HE1 HIS 40 HE1 HIS 40 -6.126 -16.221 -7.215 299 HE2 HIS 40 HE2 HIS 40 -5.909 -17.130 -4.876 300 H SER 41 H SER 41 -3.297 -11.282 -2.133 301 HA SER 41 HA SER 41 -3.966 -13.263 -0.186 302 HB2 SER 41 HB2 SER 41 -2.111 -10.885 0.049 303 HB3 SER 41 HB3 SER 41 -2.131 -12.305 1.087 304 HG SER 41 HG SER 41 -0.750 -11.982 -1.104 305 H LEU 42 H LEU 42 -5.063 -10.099 -0.833 306 HA LEU 42 HA LEU 42 -5.716 -9.320 1.845 307 HB2 LEU 42 HB2 LEU 42 -6.245 -8.285 -0.885 308 HB3 LEU 42 HB3 LEU 42 -7.332 -7.771 0.388 309 HG LEU 42 HG LEU 42 -5.522 -6.167 -0.025 310 HD11 LEU 42 HD11 LEU 42 -6.538 -6.228 2.157 311 HD12 LEU 42 HD12 LEU 42 -4.810 -5.916 2.322 312 HD13 LEU 42 HD13 LEU 42 -5.452 -7.524 2.661 313 HD21 LEU 42 HD21 LEU 42 -3.235 -6.688 0.620 314 HD22 LEU 42 HD22 LEU 42 -3.778 -7.739 -0.688 315 HD23 LEU 42 HD23 LEU 42 -3.703 -8.354 0.963 316 H LYS 43 H LYS 43 -7.030 -11.539 -0.247 317 HA LYS 43 HA LYS 43 -8.975 -12.699 -0.406 318 HB2 LYS 43 HB2 LYS 43 -8.621 -12.176 2.370 319 HB3 LYS 43 HB3 LYS 43 -10.329 -11.985 2.008 320 HG2 LYS 43 HG2 LYS 43 -9.956 -14.239 2.674 321 HG3 LYS 43 HG3 LYS 43 -10.285 -14.234 0.940 322 HD2 LYS 43 HD2 LYS 43 -7.855 -14.332 0.514 323 HD3 LYS 43 HD3 LYS 43 -7.577 -14.424 2.254 324 HE2 LYS 43 HE2 LYS 43 -8.942 -16.490 2.313 325 HE3 LYS 43 HE3 LYS 43 -9.076 -16.411 0.557 326 HZ1 LYS 43 HZ1 LYS 43 -7.325 -17.906 1.170 327 HZ2 LYS 43 HZ2 LYS 43 -6.581 -16.725 2.130 328 HZ3 LYS 43 HZ3 LYS 43 -6.637 -16.533 0.443 329 HA PRO 44 HA PRO 44 -10.937 -8.584 -1.524 330 HB2 PRO 44 HB2 PRO 44 -11.439 -9.371 -4.122 331 HB3 PRO 44 HB3 PRO 44 -10.017 -8.467 -3.595 332 HG2 PRO 44 HG2 PRO 44 -10.319 -11.390 -4.115 333 HG3 PRO 44 HG3 PRO 44 -8.961 -10.312 -4.481 334 HD2 PRO 44 HD2 PRO 44 -8.900 -11.998 -2.390 335 HD3 PRO 44 HD3 PRO 44 -8.148 -10.392 -2.320 336 H ILE 45 H ILE 45 -12.960 -8.292 -1.113 337 HA ILE 45 HA ILE 45 -14.864 -10.491 -1.345 338 HB ILE 45 HB ILE 45 -14.947 -9.417 0.781 339 HG12 ILE 45 HG12 ILE 45 -17.270 -8.401 -0.875 340 HG13 ILE 45 HG13 ILE 45 -17.128 -10.021 -0.200 341 HG21 ILE 45 HG21 ILE 45 -13.850 -7.332 0.239 342 HG22 ILE 45 HG22 ILE 45 -15.369 -7.024 1.081 343 HG23 ILE 45 HG23 ILE 45 -15.266 -6.794 -0.665 344 HD11 ILE 45 HD11 ILE 45 -17.136 -9.056 2.057 345 HD12 ILE 45 HD12 ILE 45 -18.600 -8.675 1.151 346 HD13 ILE 45 HD13 ILE 45 -17.345 -7.452 1.353 347 H SER 46 H SER 46 -16.156 -10.637 -3.023 348 HA SER 46 HA SER 46 -17.170 -10.226 -5.002 349 HB2 SER 46 HB2 SER 46 -17.238 -7.318 -4.149 350 HB3 SER 46 HB3 SER 46 -18.265 -8.090 -5.356 351 HG SER 46 HG SER 46 -18.743 -9.543 -3.352 352 H GLY 47 H GLY 47 -15.556 -7.069 -4.821 353 HA2 GLY 47 HA2 GLY 47 -13.417 -7.960 -6.578 354 HA3 GLY 47 HA3 GLY 47 -14.533 -6.791 -7.269 355 H PHE 48 H PHE 48 -13.896 -6.638 -3.880 356 HA PHE 48 HA PHE 48 -11.854 -4.588 -4.173 357 HB2 PHE 48 HB2 PHE 48 -13.224 -2.966 -2.816 358 HB3 PHE 48 HB3 PHE 48 -13.788 -3.217 -4.463 359 HD1 PHE 48 HD1 PHE 48 -14.498 -3.803 -0.915 360 HD2 PHE 48 HD2 PHE 48 -15.895 -4.284 -4.907 361 HE1 PHE 48 HE1 PHE 48 -16.744 -4.326 -0.064 362 HE2 PHE 48 HE2 PHE 48 -18.143 -4.813 -4.060 363 HZ PHE 48 HZ PHE 48 -18.571 -4.832 -1.636 364 H ILE 49 H ILE 49 -11.547 -3.608 -1.803 365 HA ILE 49 HA ILE 49 -11.781 -5.794 0.140 366 HB ILE 49 HB ILE 49 -9.648 -5.200 1.155 367 HG12 ILE 49 HG12 ILE 49 -9.553 -2.826 0.445 368 HG13 ILE 49 HG13 ILE 49 -8.052 -3.686 0.147 369 HG21 ILE 49 HG21 ILE 49 -9.377 -5.825 -1.770 370 HG22 ILE 49 HG22 ILE 49 -9.686 -6.980 -0.474 371 HG23 ILE 49 HG23 ILE 49 -8.151 -6.112 -0.533 372 HD11 ILE 49 HD11 ILE 49 -8.614 -3.849 -2.217 373 HD12 ILE 49 HD12 ILE 49 -8.613 -2.171 -1.673 374 HD13 ILE 49 HD13 ILE 49 -10.140 -3.019 -1.917 375 H THR 50 H THR 50 -11.161 -4.765 2.428 376 HA THR 50 HA THR 50 -12.562 -2.194 2.605 377 HB THR 50 HB THR 50 -13.441 -3.023 4.848 378 HG1 THR 50 HG1 THR 50 -13.615 -5.455 4.772 379 HG21 THR 50 HG21 THR 50 -15.319 -4.249 3.845 380 HG22 THR 50 HG22 THR 50 -14.397 -4.433 2.353 381 HG23 THR 50 HG23 THR 50 -14.890 -2.828 2.892 382 H GLY 51 H GLY 51 -12.271 -1.492 5.144 383 HA2 GLY 51 HA2 GLY 51 -9.531 -0.729 5.249 384 HA3 GLY 51 HA3 GLY 51 -10.751 -0.378 6.463 385 H ASP 52 H ASP 52 -11.482 -2.998 7.138 386 HA ASP 52 HA ASP 52 -9.529 -3.632 9.050 387 HB2 ASP 52 HB2 ASP 52 -11.873 -4.245 9.354 388 HB3 ASP 52 HB3 ASP 52 -11.781 -5.348 7.983 389 H GLN 53 H GLN 53 -10.263 -5.059 5.897 390 HA GLN 53 HA GLN 53 -8.380 -7.143 5.989 391 HB2 GLN 53 HB2 GLN 53 -9.472 -5.611 3.624 392 HB3 GLN 53 HB3 GLN 53 -8.480 -7.054 3.484 393 HG2 GLN 53 HG2 GLN 53 -11.213 -6.849 4.721 394 HG3 GLN 53 HG3 GLN 53 -10.787 -7.630 3.198 395 HE21 GLN 53 HE21 GLN 53 -9.597 -9.576 3.253 396 HE22 GLN 53 HE22 GLN 53 -9.590 -10.576 4.672 397 H ALA 54 H ALA 54 -8.142 -3.818 4.807 398 HA ALA 54 HA ALA 54 -5.538 -3.943 3.793 399 HB1 ALA 54 HB1 ALA 54 -6.963 -1.566 4.994 400 HB2 ALA 54 HB2 ALA 54 -7.099 -2.112 3.321 401 HB3 ALA 54 HB3 ALA 54 -5.557 -1.510 3.930 402 H ARG 55 H ARG 55 -6.665 -2.760 6.962 403 HA ARG 55 HA ARG 55 -4.123 -2.145 7.945 404 HB2 ARG 55 HB2 ARG 55 -6.494 -1.410 8.704 405 HB3 ARG 55 HB3 ARG 55 -6.475 -2.876 9.671 406 HG2 ARG 55 HG2 ARG 55 -4.268 -0.865 9.854 407 HG3 ARG 55 HG3 ARG 55 -5.767 -0.680 10.765 408 HD2 ARG 55 HD2 ARG 55 -4.194 -3.222 10.863 409 HD3 ARG 55 HD3 ARG 55 -3.781 -1.850 11.874 410 HE ARG 55 HE ARG 55 -6.467 -2.245 12.266 411 HH11 ARG 55 HH11 ARG 55 -3.575 -4.163 12.665 412 HH12 ARG 55 HH12 ARG 55 -4.198 -5.079 14.002 413 HH21 ARG 55 HH21 ARG 55 -7.317 -3.431 13.989 414 HH22 ARG 55 HH22 ARG 55 -6.366 -4.675 14.750 415 H ASN 56 H ASN 56 -6.076 -5.079 8.063 416 HA ASN 56 HA ASN 56 -4.484 -6.514 9.895 417 HB2 ASN 56 HB2 ASN 56 -6.745 -7.244 9.248 418 HB3 ASN 56 HB3 ASN 56 -6.173 -7.579 7.619 419 HD21 ASN 56 HD21 ASN 56 -4.896 -9.390 7.251 420 HD22 ASN 56 HD22 ASN 56 -4.725 -10.660 8.417 421 H PHE 57 H PHE 57 -4.430 -6.371 6.339 422 HA PHE 57 HA PHE 57 -2.381 -8.250 5.944 423 HB2 PHE 57 HB2 PHE 57 -3.836 -7.501 4.129 424 HB3 PHE 57 HB3 PHE 57 -3.124 -5.891 4.209 425 HD1 PHE 57 HD2 PHE 57 -2.567 -9.383 3.241 426 HD2 PHE 57 HD1 PHE 57 -0.955 -5.451 3.341 427 HE1 PHE 57 HE2 PHE 57 -0.795 -10.074 1.676 428 HE2 PHE 57 HE1 PHE 57 0.812 -6.131 1.803 429 HZ PHE 57 HZ PHE 57 0.904 -8.443 0.953 430 H PHE 58 H PHE 58 -2.217 -4.717 6.251 431 HA PHE 58 HA PHE 58 0.512 -4.392 5.909 432 HB2 PHE 58 HB2 PHE 58 -1.258 -2.883 7.842 433 HB3 PHE 58 HB3 PHE 58 0.314 -2.351 7.264 434 HD1 PHE 58 HD2 PHE 58 -0.404 -3.461 4.351 435 HD2 PHE 58 HD1 PHE 58 -2.230 -0.787 7.104 436 HE1 PHE 58 HE2 PHE 58 -1.521 -2.305 2.487 437 HE2 PHE 58 HE1 PHE 58 -3.352 0.371 5.251 438 HZ PHE 58 HZ PHE 58 -2.997 -0.387 2.935 439 H PHE 59 H PHE 59 -1.287 -5.173 8.862 440 HA PHE 59 HA PHE 59 1.009 -5.197 10.546 441 HB2 PHE 59 HB2 PHE 59 -1.378 -4.855 11.289 442 HB3 PHE 59 HB3 PHE 59 -1.635 -6.579 11.039 443 HD1 PHE 59 HD1 PHE 59 0.677 -4.262 12.820 444 HD2 PHE 59 HD2 PHE 59 -1.371 -7.992 12.836 445 HE1 PHE 59 HE1 PHE 59 1.493 -4.695 15.100 446 HE2 PHE 59 HE2 PHE 59 -0.554 -8.433 15.113 447 HZ PHE 59 HZ PHE 59 0.879 -6.784 16.247 448 H GLN 60 H GLN 60 -0.663 -7.575 8.624 449 HA GLN 60 HA GLN 60 0.563 -9.914 9.633 450 HB2 GLN 60 HB2 GLN 60 -1.452 -9.441 7.921 451 HB3 GLN 60 HB3 GLN 60 -0.178 -9.728 6.752 452 HG2 GLN 60 HG2 GLN 60 -0.782 -11.681 8.946 453 HG3 GLN 60 HG3 GLN 60 -1.659 -11.688 7.420 454 HE21 GLN 60 HE21 GLN 60 1.316 -12.401 9.023 455 HE22 GLN 60 HE22 GLN 60 2.068 -13.233 7.698 456 H SER 61 H SER 61 1.561 -7.455 7.385 457 HA SER 61 HA SER 61 3.665 -8.863 6.133 458 HB2 SER 61 HB2 SER 61 3.369 -5.882 6.559 459 HB3 SER 61 HB3 SER 61 4.429 -6.661 5.384 460 HG SER 61 HG SER 61 1.607 -6.999 5.435 461 H GLY 62 H GLY 62 3.441 -7.136 9.172 462 HA2 GLY 62 HA2 GLY 62 4.906 -7.897 10.944 463 HA3 GLY 62 HA3 GLY 62 6.182 -8.063 9.751 464 H LEU 63 H LEU 63 4.496 -5.227 9.183 465 HA LEU 63 HA LEU 63 6.663 -3.657 10.307 466 HB2 LEU 63 HB2 LEU 63 4.317 -2.971 8.545 467 HB3 LEU 63 HB3 LEU 63 5.372 -1.743 9.214 468 HG LEU 63 HG LEU 63 6.334 -3.984 7.429 469 HD11 LEU 63 HD11 LEU 63 5.698 -1.120 6.737 470 HD12 LEU 63 HD12 LEU 63 4.780 -2.536 6.227 471 HD13 LEU 63 HD13 LEU 63 6.435 -2.308 5.664 472 HD21 LEU 63 HD21 LEU 63 7.646 -1.414 8.314 473 HD22 LEU 63 HD22 LEU 63 8.344 -2.623 7.237 474 HD23 LEU 63 HD23 LEU 63 8.028 -3.023 8.926 475 HA PRO 64 HA PRO 64 4.551 -2.472 14.020 476 HB2 PRO 64 HB2 PRO 64 5.588 0.065 14.294 477 HB3 PRO 64 HB3 PRO 64 6.416 -1.414 14.787 478 HG2 PRO 64 HG2 PRO 64 6.757 0.213 12.311 479 HG3 PRO 64 HG3 PRO 64 7.983 -0.605 13.296 480 HD2 PRO 64 HD2 PRO 64 7.111 -1.623 10.958 481 HD3 PRO 64 HD3 PRO 64 7.575 -2.659 12.323 482 H GLN 65 H GLN 65 2.944 -1.065 14.808 483 HA GLN 65 HA GLN 65 0.948 -0.523 12.955 484 HB2 GLN 65 HB2 GLN 65 0.518 -1.016 15.307 485 HB3 GLN 65 HB3 GLN 65 1.205 0.535 15.768 486 HG2 GLN 65 HG2 GLN 65 -0.572 1.709 14.655 487 HG3 GLN 65 HG3 GLN 65 -1.217 0.200 14.014 488 HE21 GLN 65 HE21 GLN 65 -0.832 2.184 16.841 489 HE22 GLN 65 HE22 GLN 65 -1.988 1.351 17.823 490 HA PRO 66 HA PRO 66 1.939 4.289 13.479 491 HB2 PRO 66 HB2 PRO 66 4.699 4.643 13.679 492 HB3 PRO 66 HB3 PRO 66 3.533 4.877 14.985 493 HG2 PRO 66 HG2 PRO 66 5.271 2.526 14.390 494 HG3 PRO 66 HG3 PRO 66 4.811 3.220 15.957 495 HD2 PRO 66 HD2 PRO 66 3.672 0.976 15.055 496 HD3 PRO 66 HD3 PRO 66 2.729 2.194 15.941 497 H VAL 67 H VAL 67 4.233 1.969 12.160 498 HA VAL 67 HA VAL 67 4.844 3.495 9.817 499 HB VAL 67 HB VAL 67 5.325 0.603 10.541 500 HG11 VAL 67 HG11 VAL 67 6.303 2.102 8.115 501 HG12 VAL 67 HG12 VAL 67 5.144 0.772 8.118 502 HG13 VAL 67 HG13 VAL 67 6.816 0.487 8.604 503 HG21 VAL 67 HG21 VAL 67 7.163 2.987 10.357 504 HG22 VAL 67 HG22 VAL 67 7.659 1.337 10.737 505 HG23 VAL 67 HG23 VAL 67 6.598 2.215 11.839 506 H LEU 68 H LEU 68 2.617 0.895 10.638 507 HA LEU 68 HA LEU 68 1.582 0.370 8.076 508 HB2 LEU 68 HB2 LEU 68 0.100 0.299 10.705 509 HB3 LEU 68 HB3 LEU 68 -0.349 -0.544 9.238 510 HG LEU 68 HG LEU 68 2.051 -1.093 10.974 511 HD11 LEU 68 HD11 LEU 68 0.966 -3.256 11.321 512 HD12 LEU 68 HD12 LEU 68 -0.409 -2.715 10.359 513 HD13 LEU 68 HD13 LEU 68 -0.034 -1.919 11.887 514 HD21 LEU 68 HD21 LEU 68 2.645 -1.372 8.635 515 HD22 LEU 68 HD22 LEU 68 1.225 -2.386 8.380 516 HD23 LEU 68 HD23 LEU 68 2.524 -2.938 9.437 517 H ALA 69 H ALA 69 0.454 2.511 10.645 518 HA ALA 69 HA ALA 69 -1.700 3.697 9.341 519 HB1 ALA 69 HB1 ALA 69 -1.470 5.515 10.954 520 HB2 ALA 69 HB2 ALA 69 0.145 4.948 11.378 521 HB3 ALA 69 HB3 ALA 69 -1.263 3.948 11.738 522 H GLN 70 H GLN 70 1.718 4.578 9.365 523 HA GLN 70 HA GLN 70 1.613 6.935 7.899 524 HB2 GLN 70 HB2 GLN 70 3.559 5.531 9.074 525 HB3 GLN 70 HB3 GLN 70 3.825 4.987 7.429 526 HG2 GLN 70 HG2 GLN 70 3.880 7.837 8.377 527 HG3 GLN 70 HG3 GLN 70 5.275 6.828 8.019 528 HE21 GLN 70 HE21 GLN 70 2.750 8.771 6.758 529 HE22 GLN 70 HE22 GLN 70 3.262 8.743 5.102 530 H ILE 71 H ILE 71 1.906 3.574 6.781 531 HA ILE 71 HA ILE 71 2.049 4.190 4.023 532 HB ILE 71 HB ILE 71 1.171 1.669 5.438 533 HG12 ILE 71 HG12 ILE 71 3.695 2.289 3.894 534 HG13 ILE 71 HG13 ILE 71 3.557 2.400 5.644 535 HG21 ILE 71 HG21 ILE 71 1.659 2.072 2.487 536 HG22 ILE 71 HG22 ILE 71 0.098 1.757 3.247 537 HG23 ILE 71 HG23 ILE 71 1.360 0.526 3.281 538 HD11 ILE 71 HD11 ILE 71 3.223 -0.089 3.987 539 HD12 ILE 71 HD12 ILE 71 3.032 0.007 5.737 540 HD13 ILE 71 HD13 ILE 71 4.604 0.321 5.004 541 H TRP 72 H TRP 72 -0.671 3.271 6.108 542 HA TRP 72 HA TRP 72 -2.603 3.246 4.050 543 HB2 TRP 72 HB2 TRP 72 -2.856 2.091 6.230 544 HB3 TRP 72 HB3 TRP 72 -3.022 3.656 7.017 545 HD1 TRP 72 HD1 TRP 72 -4.783 2.747 3.717 546 HE1 TRP 72 HE1 TRP 72 -7.325 2.818 4.116 547 HE3 TRP 72 HE3 TRP 72 -4.780 3.510 8.757 548 HZ2 TRP 72 HZ2 TRP 72 -9.094 3.132 6.296 549 HZ3 TRP 72 HZ3 TRP 72 -6.935 3.667 9.930 550 HH2 TRP 72 HH2 TRP 72 -9.048 3.488 8.725 551 H ALA 73 H ALA 73 -1.560 5.765 6.318 552 HA ALA 73 HA ALA 73 -3.621 7.599 5.688 553 HB1 ALA 73 HB1 ALA 73 -2.232 9.270 6.788 554 HB2 ALA 73 HB2 ALA 73 -0.854 8.169 6.743 555 HB3 ALA 73 HB3 ALA 73 -2.268 7.771 7.719 556 H LEU 74 H LEU 74 -0.530 6.900 4.231 557 HA LEU 74 HA LEU 74 -0.598 9.118 2.413 558 HB2 LEU 74 HB2 LEU 74 1.107 6.707 2.808 559 HB3 LEU 74 HB3 LEU 74 1.158 7.512 1.254 560 HG LEU 74 HG LEU 74 1.799 8.795 3.914 561 HD11 LEU 74 HD11 LEU 74 4.091 8.857 3.047 562 HD12 LEU 74 HD12 LEU 74 3.574 7.943 1.629 563 HD13 LEU 74 HD13 LEU 74 3.503 7.205 3.230 564 HD21 LEU 74 HD21 LEU 74 1.969 9.866 1.102 565 HD22 LEU 74 HD22 LEU 74 2.512 10.694 2.561 566 HD23 LEU 74 HD23 LEU 74 0.797 10.352 2.329 567 H ALA 75 H ALA 75 -1.267 5.656 2.233 568 HA ALA 75 HA ALA 75 -1.659 5.546 -0.549 569 HB1 ALA 75 HB1 ALA 75 -2.582 3.351 -0.163 570 HB2 ALA 75 HB2 ALA 75 -2.774 3.705 1.555 571 HB3 ALA 75 HB3 ALA 75 -1.160 3.593 0.851 572 H ASP 76 H ASP 76 -4.032 5.693 2.121 573 HA ASP 76 HA ASP 76 -6.224 5.920 0.264 574 HB2 ASP 76 HB2 ASP 76 -6.309 4.921 2.649 575 HB3 ASP 76 HB3 ASP 76 -6.399 6.593 3.195 576 H MET 77 H MET 77 -5.480 7.666 -0.943 577 HA MET 77 HA MET 77 -4.793 10.190 0.039 578 HB2 MET 77 HB2 MET 77 -5.971 9.402 -2.632 579 HB3 MET 77 HB3 MET 77 -5.278 10.979 -2.277 580 HG2 MET 77 HG2 MET 77 -3.116 10.014 -1.920 581 HG3 MET 77 HG3 MET 77 -3.773 8.385 -2.075 582 HE1 MET 77 HE1 MET 77 -4.463 7.258 -4.325 583 HE2 MET 77 HE2 MET 77 -4.650 8.134 -5.845 584 HE3 MET 77 HE3 MET 77 -5.716 8.489 -4.485 585 H ASN 78 H ASN 78 -7.897 8.734 -0.549 586 HA ASN 78 HA ASN 78 -9.299 11.277 -0.312 587 HB2 ASN 78 HB2 ASN 78 -10.680 8.613 -0.383 588 HB3 ASN 78 HB3 ASN 78 -11.228 10.161 -1.016 589 HD21 ASN 78 HD21 ASN 78 -9.444 7.300 -1.613 590 HD22 ASN 78 HD22 ASN 78 -9.076 7.599 -3.281 591 H ASN 79 H ASN 79 -8.030 8.936 1.661 592 HA ASN 79 HA ASN 79 -8.300 8.221 3.788 593 HB2 ASN 79 HB2 ASN 79 -7.963 10.771 4.047 594 HB3 ASN 79 HB3 ASN 79 -9.687 10.817 4.413 595 HD21 ASN 79 HD21 ASN 79 -7.507 8.193 5.253 596 HD22 ASN 79 HD22 ASN 79 -7.586 8.423 6.963 597 H ASP 80 H ASP 80 -10.107 7.156 2.210 598 HA ASP 80 HA ASP 80 -12.826 7.593 3.008 599 HB2 ASP 80 HB2 ASP 80 -12.285 6.746 0.770 600 HB3 ASP 80 HB3 ASP 80 -11.539 5.316 1.476 601 H GLY 81 H GLY 81 -10.233 5.404 3.859 602 HA2 GLY 81 HA2 GLY 81 -10.089 4.507 6.075 603 HA3 GLY 81 HA3 GLY 81 -11.846 4.524 6.154 604 H ARG 82 H ARG 82 -11.002 3.484 3.161 605 HA ARG 82 HA ARG 82 -10.761 0.665 3.922 606 HB2 ARG 82 HB2 ARG 82 -12.869 1.863 2.144 607 HB3 ARG 82 HB3 ARG 82 -12.416 0.171 2.038 608 HG2 ARG 82 HG2 ARG 82 -13.081 -0.171 4.349 609 HG3 ARG 82 HG3 ARG 82 -13.497 1.542 4.487 610 HD2 ARG 82 HD2 ARG 82 -15.244 1.329 2.893 611 HD3 ARG 82 HD3 ARG 82 -14.723 -0.296 2.448 612 HE ARG 82 HE ARG 82 -15.321 -0.725 4.971 613 HH11 ARG 82 HH11 ARG 82 -17.009 1.385 2.736 614 HH12 ARG 82 HH12 ARG 82 -18.590 0.978 3.351 615 HH21 ARG 82 HH21 ARG 82 -17.406 -1.245 5.795 616 HH22 ARG 82 HH22 ARG 82 -18.807 -0.490 5.089 617 H MET 83 H MET 83 -10.312 3.215 1.668 618 HA MET 83 HA MET 83 -9.075 3.521 -0.191 619 HB2 MET 83 HB2 MET 83 -7.806 0.910 0.641 620 HB3 MET 83 HB3 MET 83 -7.272 1.859 -0.738 621 HG2 MET 83 HG2 MET 83 -6.865 3.760 0.805 622 HG3 MET 83 HG3 MET 83 -7.248 2.688 2.150 623 HE1 MET 83 HE1 MET 83 -5.772 0.611 2.862 624 HE2 MET 83 HE2 MET 83 -4.379 0.044 1.939 625 HE3 MET 83 HE3 MET 83 -5.998 -0.052 1.243 626 H ASP 84 H ASP 84 -9.091 3.035 -2.387 627 HA ASP 84 HA ASP 84 -10.877 0.824 -3.152 628 HB2 ASP 84 HB2 ASP 84 -11.495 3.244 -3.739 629 HB3 ASP 84 HB3 ASP 84 -10.127 3.225 -4.843 630 H GLN 85 H GLN 85 -10.104 0.686 -5.856 631 HA GLN 85 HA GLN 85 -7.864 -1.078 -5.543 632 HB2 GLN 85 HB2 GLN 85 -8.981 -0.134 -8.174 633 HB3 GLN 85 HB3 GLN 85 -8.265 -1.691 -7.787 634 HG2 GLN 85 HG2 GLN 85 -10.932 -0.688 -6.807 635 HG3 GLN 85 HG3 GLN 85 -10.678 -1.847 -8.108 636 HE21 GLN 85 HE21 GLN 85 -10.669 -1.341 -4.672 637 HE22 GLN 85 HE22 GLN 85 -10.527 -3.001 -4.227 638 H VAL 86 H VAL 86 -8.316 2.193 -6.613 639 HA VAL 86 HA VAL 86 -5.786 2.515 -7.883 640 HB VAL 86 HB VAL 86 -7.496 4.652 -6.595 641 HG11 VAL 86 HG11 VAL 86 -6.380 6.154 -8.190 642 HG12 VAL 86 HG12 VAL 86 -5.373 4.812 -8.734 643 HG13 VAL 86 HG13 VAL 86 -5.237 5.402 -7.077 644 HG21 VAL 86 HG21 VAL 86 -7.543 3.605 -9.425 645 HG22 VAL 86 HG22 VAL 86 -8.453 4.992 -8.827 646 HG23 VAL 86 HG23 VAL 86 -8.800 3.377 -8.208 647 H GLU 87 H GLU 87 -7.025 3.553 -4.715 648 HA GLU 87 HA GLU 87 -4.562 4.462 -3.709 649 HB2 GLU 87 HB2 GLU 87 -7.064 3.534 -2.289 650 HB3 GLU 87 HB3 GLU 87 -5.700 4.271 -1.467 651 HG2 GLU 87 HG2 GLU 87 -7.349 5.948 -1.782 652 HG3 GLU 87 HG3 GLU 87 -6.023 6.294 -2.888 653 H PHE 88 H PHE 88 -6.076 1.292 -3.688 654 HA PHE 88 HA PHE 88 -4.253 0.095 -1.876 655 HB2 PHE 88 HB2 PHE 88 -6.433 -0.923 -2.420 656 HB3 PHE 88 HB3 PHE 88 -5.887 -1.198 -4.071 657 HD1 PHE 88 HD2 PHE 88 -4.219 -2.908 -4.562 658 HD2 PHE 88 HD1 PHE 88 -5.665 -2.287 -0.612 659 HE1 PHE 88 HE2 PHE 88 -3.271 -5.073 -3.883 660 HE2 PHE 88 HE1 PHE 88 -4.714 -4.446 0.077 661 HZ PHE 88 HZ PHE 88 -3.517 -5.842 -1.560 662 H SER 89 H SER 89 -4.299 0.528 -5.363 663 HA SER 89 HA SER 89 -2.251 -1.253 -6.017 664 HB2 SER 89 HB2 SER 89 -3.823 -0.204 -7.657 665 HB3 SER 89 HB3 SER 89 -2.937 1.311 -7.475 666 HG SER 89 HG SER 89 -1.310 0.521 -8.603 667 H ILE 90 H ILE 90 -2.183 2.123 -5.003 668 HA ILE 90 HA ILE 90 0.669 2.346 -5.409 669 HB ILE 90 HB ILE 90 -0.777 4.289 -5.782 670 HG12 ILE 90 HG12 ILE 90 1.100 4.714 -3.448 671 HG13 ILE 90 HG13 ILE 90 1.583 4.630 -5.139 672 HG21 ILE 90 HG21 ILE 90 -1.296 4.212 -2.816 673 HG22 ILE 90 HG22 ILE 90 -2.468 3.856 -4.086 674 HG23 ILE 90 HG23 ILE 90 -1.807 5.484 -3.925 675 HD11 ILE 90 HD11 ILE 90 0.258 6.630 -5.609 676 HD12 ILE 90 HD12 ILE 90 1.479 6.926 -4.371 677 HD13 ILE 90 HD13 ILE 90 -0.210 6.714 -3.911 678 H ALA 91 H ALA 91 -1.504 1.575 -2.810 679 HA ALA 91 HA ALA 91 0.187 2.032 -0.604 680 HB1 ALA 91 HB1 ALA 91 -1.293 0.544 0.622 681 HB2 ALA 91 HB2 ALA 91 -1.981 -0.048 -0.889 682 HB3 ALA 91 HB3 ALA 91 -2.230 1.629 -0.406 683 H MET 92 H MET 92 -0.157 -0.665 -2.804 684 HA MET 92 HA MET 92 1.186 -2.665 -1.434 685 HB2 MET 92 HB2 MET 92 -0.069 -2.920 -3.579 686 HB3 MET 92 HB3 MET 92 1.268 -2.150 -4.414 687 HG2 MET 92 HG2 MET 92 1.650 -4.650 -2.804 688 HG3 MET 92 HG3 MET 92 1.112 -4.691 -4.479 689 HE1 MET 92 HE1 MET 92 2.551 -3.773 -6.514 690 HE2 MET 92 HE2 MET 92 4.164 -3.082 -6.345 691 HE3 MET 92 HE3 MET 92 2.763 -2.215 -5.716 692 H LYS 93 H LYS 93 2.480 -0.080 -3.462 693 HA LYS 93 HA LYS 93 5.129 -1.046 -3.541 694 HB2 LYS 93 HB2 LYS 93 4.226 0.608 -5.147 695 HB3 LYS 93 HB3 LYS 93 4.166 1.804 -3.857 696 HG2 LYS 93 HG2 LYS 93 6.131 2.181 -5.178 697 HG3 LYS 93 HG3 LYS 93 6.625 1.569 -3.596 698 HD2 LYS 93 HD2 LYS 93 6.583 -0.743 -4.729 699 HD3 LYS 93 HD3 LYS 93 6.591 0.162 -6.244 700 HE2 LYS 93 HE2 LYS 93 8.648 1.336 -5.443 701 HE3 LYS 93 HE3 LYS 93 8.666 0.244 -4.057 702 HZ1 LYS 93 HZ1 LYS 93 8.480 -1.498 -6.059 703 HZ2 LYS 93 HZ2 LYS 93 9.958 -0.976 -5.412 704 HZ3 LYS 93 HZ3 LYS 93 9.355 -0.260 -6.827 705 H LEU 94 H LEU 94 3.457 1.180 -1.371 706 HA LEU 94 HA LEU 94 5.764 2.178 -0.098 707 HB2 LEU 94 HB2 LEU 94 2.954 2.531 0.126 708 HB3 LEU 94 HB3 LEU 94 3.587 2.202 1.726 709 HG LEU 94 HG LEU 94 5.249 4.020 1.388 710 HD11 LEU 94 HD11 LEU 94 4.862 5.639 -0.405 711 HD12 LEU 94 HD12 LEU 94 3.599 4.604 -1.069 712 HD13 LEU 94 HD13 LEU 94 5.272 4.049 -1.050 713 HD21 LEU 94 HD21 LEU 94 3.173 4.375 2.630 714 HD22 LEU 94 HD22 LEU 94 2.354 4.822 1.131 715 HD23 LEU 94 HD23 LEU 94 3.661 5.827 1.757 716 H ILE 95 H ILE 95 3.770 -0.632 0.516 717 HA ILE 95 HA ILE 95 4.772 -1.239 3.090 718 HB ILE 95 HB ILE 95 3.731 -3.184 1.019 719 HG12 ILE 95 HG12 ILE 95 2.213 -1.722 3.192 720 HG13 ILE 95 HG13 ILE 95 2.154 -1.315 1.479 721 HG21 ILE 95 HG21 ILE 95 4.899 -4.250 2.885 722 HG22 ILE 95 HG22 ILE 95 3.168 -4.586 2.939 723 HG23 ILE 95 HG23 ILE 95 3.868 -3.388 4.027 724 HD11 ILE 95 HD11 ILE 95 0.216 -2.609 2.173 725 HD12 ILE 95 HD12 ILE 95 1.273 -3.920 2.695 726 HD13 ILE 95 HD13 ILE 95 1.183 -3.488 0.988 727 H LYS 96 H LYS 96 5.628 -2.419 -0.144 728 HA LYS 96 HA LYS 96 7.771 -4.060 0.645 729 HB2 LYS 96 HB2 LYS 96 6.863 -2.793 -1.916 730 HB3 LYS 96 HB3 LYS 96 8.411 -3.610 -1.848 731 HG2 LYS 96 HG2 LYS 96 5.750 -4.840 -1.194 732 HG3 LYS 96 HG3 LYS 96 6.654 -5.074 -2.690 733 HD2 LYS 96 HD2 LYS 96 8.472 -6.107 -1.442 734 HD3 LYS 96 HD3 LYS 96 7.605 -5.838 0.070 735 HE2 LYS 96 HE2 LYS 96 5.803 -7.287 -0.673 736 HE3 LYS 96 HE3 LYS 96 6.608 -7.522 -2.223 737 HZ1 LYS 96 HZ1 LYS 96 8.327 -8.733 -1.216 738 HZ2 LYS 96 HZ2 LYS 96 6.901 -9.331 -0.514 739 HZ3 LYS 96 HZ3 LYS 96 7.883 -8.250 0.350 740 H LEU 97 H LEU 97 7.522 -0.721 -0.384 741 HA LEU 97 HA LEU 97 10.205 -0.027 -0.603 742 HB2 LEU 97 HB2 LEU 97 8.300 1.386 -1.286 743 HB3 LEU 97 HB3 LEU 97 7.911 1.663 0.400 744 HG LEU 97 HG LEU 97 10.305 2.642 0.556 745 HD11 LEU 97 HD11 LEU 97 11.140 3.606 -1.511 746 HD12 LEU 97 HD12 LEU 97 9.820 2.860 -2.412 747 HD13 LEU 97 HD13 LEU 97 11.044 1.850 -1.643 748 HD21 LEU 97 HD21 LEU 97 9.452 4.840 -0.155 749 HD22 LEU 97 HD22 LEU 97 8.284 3.948 0.821 750 HD23 LEU 97 HD23 LEU 97 8.084 4.039 -0.928 751 H LYS 98 H LYS 98 8.062 0.207 2.231 752 HA LYS 98 HA LYS 98 10.090 1.226 3.937 753 HB2 LYS 98 HB2 LYS 98 7.382 0.051 4.464 754 HB3 LYS 98 HB3 LYS 98 8.453 0.556 5.769 755 HG2 LYS 98 HG2 LYS 98 8.591 2.794 4.551 756 HG3 LYS 98 HG3 LYS 98 7.196 2.232 3.629 757 HD2 LYS 98 HD2 LYS 98 5.845 2.115 5.539 758 HD3 LYS 98 HD3 LYS 98 7.231 2.210 6.627 759 HE2 LYS 98 HE2 LYS 98 6.223 4.322 6.707 760 HE3 LYS 98 HE3 LYS 98 7.638 4.519 5.683 761 HZ1 LYS 98 HZ1 LYS 98 6.260 4.460 3.743 762 HZ2 LYS 98 HZ2 LYS 98 5.617 5.616 4.804 763 HZ3 LYS 98 HZ3 LYS 98 4.885 4.094 4.655 764 H LEU 99 H LEU 99 9.063 -1.986 3.072 765 HA LEU 99 HA LEU 99 10.540 -3.297 5.151 766 HB2 LEU 99 HB2 LEU 99 9.180 -4.246 2.649 767 HB3 LEU 99 HB3 LEU 99 10.149 -5.332 3.625 768 HG LEU 99 HG LEU 99 7.764 -3.799 4.661 769 HD11 LEU 99 HD11 LEU 99 7.973 -6.672 3.767 770 HD12 LEU 99 HD12 LEU 99 7.065 -5.394 2.960 771 HD13 LEU 99 HD13 LEU 99 6.580 -5.941 4.565 772 HD21 LEU 99 HD21 LEU 99 9.416 -4.411 6.362 773 HD22 LEU 99 HD22 LEU 99 9.339 -6.091 5.829 774 HD23 LEU 99 HD23 LEU 99 7.922 -5.330 6.551 775 H GLN 100 H GLN 100 11.379 -1.844 2.194 776 HA GLN 100 HA GLN 100 13.815 -3.395 1.870 777 HB2 GLN 100 HB2 GLN 100 12.697 -1.020 0.383 778 HB3 GLN 100 HB3 GLN 100 14.286 -1.692 0.048 779 HG2 GLN 100 HG2 GLN 100 11.649 -3.118 -0.219 780 HG3 GLN 100 HG3 GLN 100 12.659 -2.518 -1.534 781 HE21 GLN 100 HE21 GLN 100 12.215 -4.991 0.840 782 HE22 GLN 100 HE22 GLN 100 13.435 -6.061 0.249 783 H GLY 101 H GLY 101 12.742 -0.465 3.352 784 HA2 GLY 101 HA2 GLY 101 14.105 0.373 5.186 785 HA3 GLY 101 HA3 GLY 101 15.522 0.031 4.205 786 H TYR 102 H TYR 102 12.481 1.834 3.755 787 HA TYR 102 HA TYR 102 14.069 4.213 3.097 788 HB2 TYR 102 HB2 TYR 102 11.690 3.158 1.549 789 HB3 TYR 102 HB3 TYR 102 12.369 4.764 1.335 790 HD1 TYR 102 HD1 TYR 102 14.703 4.992 0.433 791 HD2 TYR 102 HD2 TYR 102 12.653 1.268 0.513 792 HE1 TYR 102 HE1 TYR 102 16.268 4.101 -1.238 793 HE2 TYR 102 HE2 TYR 102 14.212 0.365 -1.156 794 HH TYR 102 HH TYR 102 15.696 1.370 -3.008 795 H GLN 103 H GLN 103 12.656 6.216 3.144 796 HA GLN 103 HA GLN 103 10.444 5.936 5.061 797 HB2 GLN 103 HB2 GLN 103 11.189 7.894 6.274 798 HB3 GLN 103 HB3 GLN 103 12.478 6.701 6.250 799 HG2 GLN 103 HG2 GLN 103 13.646 7.917 4.541 800 HG3 GLN 103 HG3 GLN 103 12.310 9.057 4.390 801 HE21 GLN 103 HE21 GLN 103 15.028 8.062 6.293 802 HE22 GLN 103 HE22 GLN 103 15.063 9.450 7.329 803 H LEU 104 H LEU 104 9.069 7.961 5.114 804 HA LEU 104 HA LEU 104 9.152 9.781 2.933 805 HB2 LEU 104 HB2 LEU 104 8.424 7.614 1.835 806 HB3 LEU 104 HB3 LEU 104 6.975 7.686 2.815 807 HG LEU 104 HG LEU 104 6.393 9.841 1.724 808 HD11 LEU 104 HD11 LEU 104 8.645 10.531 1.072 809 HD12 LEU 104 HD12 LEU 104 7.561 10.480 -0.320 810 HD13 LEU 104 HD13 LEU 104 8.732 9.185 -0.063 811 HD21 LEU 104 HD21 LEU 104 6.830 7.497 -0.117 812 HD22 LEU 104 HD22 LEU 104 5.727 8.842 -0.405 813 HD23 LEU 104 HD23 LEU 104 5.444 7.744 0.945 814 HA PRO 105 HA PRO 105 6.254 11.578 5.853 815 HB2 PRO 105 HB2 PRO 105 6.053 13.950 4.317 816 HB3 PRO 105 HB3 PRO 105 7.130 13.656 5.683 817 HG2 PRO 105 HG2 PRO 105 7.926 14.041 3.039 818 HG3 PRO 105 HG3 PRO 105 8.921 13.351 4.329 819 HD2 PRO 105 HD2 PRO 105 7.387 11.973 2.171 820 HD3 PRO 105 HD3 PRO 105 8.952 11.545 2.899 821 H SER 106 H SER 106 4.329 13.425 5.185 822 HA SER 106 HA SER 106 2.271 11.650 4.290 823 HB2 SER 106 HB2 SER 106 2.097 14.592 4.954 824 HB3 SER 106 HB3 SER 106 0.765 13.445 4.873 825 HG SER 106 HG SER 106 1.411 12.516 6.727 826 H ALA 107 H ALA 107 4.416 13.215 2.511 827 HA ALA 107 HA ALA 107 2.486 13.993 0.436 828 HB1 ALA 107 HB1 ALA 107 4.246 15.382 -0.532 829 HB2 ALA 107 HB2 ALA 107 5.356 14.864 0.736 830 HB3 ALA 107 HB3 ALA 107 3.933 15.820 1.149 831 H LEU 108 H LEU 108 2.238 12.573 -1.141 832 HA LEU 108 HA LEU 108 4.320 10.604 -1.705 833 HB2 LEU 108 HB2 LEU 108 1.479 10.940 -2.664 834 HB3 LEU 108 HB3 LEU 108 2.564 9.735 -3.331 835 HG LEU 108 HG LEU 108 1.761 9.872 -0.423 836 HD11 LEU 108 HD11 LEU 108 0.751 8.114 -2.650 837 HD12 LEU 108 HD12 LEU 108 -0.165 9.353 -1.792 838 HD13 LEU 108 HD13 LEU 108 0.380 7.909 -0.939 839 HD21 LEU 108 HD21 LEU 108 3.199 7.753 -2.014 840 HD22 LEU 108 HD22 LEU 108 2.715 7.625 -0.324 841 HD23 LEU 108 HD23 LEU 108 3.926 8.814 -0.806 842 HA PRO 109 HA PRO 109 5.827 12.832 -5.232 843 HB2 PRO 109 HB2 PRO 109 6.792 10.747 -6.703 844 HB3 PRO 109 HB3 PRO 109 7.625 11.409 -5.294 845 HG2 PRO 109 HG2 PRO 109 5.890 8.981 -5.498 846 HG3 PRO 109 HG3 PRO 109 7.418 9.195 -4.623 847 HD2 PRO 109 HD2 PRO 109 5.019 9.270 -3.384 848 HD3 PRO 109 HD3 PRO 109 6.397 10.251 -2.847 849 HA PRO 110 HA PRO 110 2.564 12.712 -8.179 850 HB2 PRO 110 HB2 PRO 110 4.404 13.777 -10.198 851 HB3 PRO 110 HB3 PRO 110 3.010 14.543 -9.440 852 HG2 PRO 110 HG2 PRO 110 5.522 15.326 -8.902 853 HG3 PRO 110 HG3 PRO 110 4.250 15.346 -7.664 854 HD2 PRO 110 HD2 PRO 110 6.422 13.323 -8.118 855 HD3 PRO 110 HD3 PRO 110 5.851 14.035 -6.592 856 H VAL 111 H VAL 111 5.356 10.884 -8.602 857 HA VAL 111 HA VAL 111 4.727 9.850 -11.226 858 HB VAL 111 HB VAL 111 6.740 8.809 -9.221 859 HG11 VAL 111 HG11 VAL 111 6.201 7.186 -10.940 860 HG12 VAL 111 HG12 VAL 111 7.825 7.821 -11.196 861 HG13 VAL 111 HG13 VAL 111 6.489 8.387 -12.199 862 HG21 VAL 111 HG21 VAL 111 8.403 10.095 -10.471 863 HG22 VAL 111 HG22 VAL 111 7.184 11.145 -9.749 864 HG23 VAL 111 HG23 VAL 111 7.124 10.780 -11.473 865 H MET 112 H MET 112 4.439 8.754 -7.874 866 HA MET 112 HA MET 112 3.586 6.113 -8.559 867 HB2 MET 112 HB2 MET 112 3.248 7.632 -5.969 868 HB3 MET 112 HB3 MET 112 2.985 5.907 -6.181 869 HG2 MET 112 HG2 MET 112 5.375 5.676 -6.803 870 HG3 MET 112 HG3 MET 112 5.595 7.385 -6.416 871 HE1 MET 112 HE1 MET 112 3.364 4.660 -4.680 872 HE2 MET 112 HE2 MET 112 4.417 4.137 -3.365 873 HE3 MET 112 HE3 MET 112 4.862 3.799 -5.039 874 H LYS 113 H LYS 113 1.992 9.137 -7.862 875 HA LYS 113 HA LYS 113 -0.638 7.904 -7.911 876 HB2 LYS 113 HB2 LYS 113 -1.448 10.178 -7.393 877 HB3 LYS 113 HB3 LYS 113 -0.219 9.642 -6.255 878 HG2 LYS 113 HG2 LYS 113 1.446 10.918 -7.675 879 HG3 LYS 113 HG3 LYS 113 0.051 11.639 -8.475 880 HD2 LYS 113 HD2 LYS 113 0.530 11.732 -5.504 881 HD3 LYS 113 HD3 LYS 113 1.025 13.004 -6.614 882 HE2 LYS 113 HE2 LYS 113 -1.004 13.771 -5.776 883 HE3 LYS 113 HE3 LYS 113 -1.450 13.057 -7.322 884 HZ1 LYS 113 HZ1 LYS 113 -2.911 12.505 -5.367 885 HZ2 LYS 113 HZ2 LYS 113 -1.635 11.558 -4.771 886 HZ3 LYS 113 HZ3 LYS 113 -2.351 11.180 -6.262 887 H GLN 114 H GLN 114 1.596 9.081 -10.059 888 HA GLN 114 HA GLN 114 1.635 9.531 -12.258 889 HB2 GLN 114 HB2 GLN 114 -1.208 8.524 -12.180 890 HB3 GLN 114 HB3 GLN 114 -0.305 8.868 -13.648 891 HG2 GLN 114 HG2 GLN 114 1.346 7.167 -13.020 892 HG3 GLN 114 HG3 GLN 114 0.406 6.808 -11.575 893 HE21 GLN 114 HE21 GLN 114 -2.159 7.098 -12.871 894 HE22 GLN 114 HE22 GLN 114 -2.367 5.703 -13.876 895 H GLN 115 H GLN 115 0.832 11.001 -13.935 896 HA GLN 115 HA GLN 115 -0.246 13.418 -12.688 897 HB2 GLN 115 HB2 GLN 115 1.869 13.581 -13.949 898 HB3 GLN 115 HB3 GLN 115 1.054 12.995 -15.390 899 HG2 GLN 115 HG2 GLN 115 1.301 15.357 -15.568 900 HG3 GLN 115 HG3 GLN 115 -0.405 14.998 -15.318 901 HE21 GLN 115 HE21 GLN 115 -0.816 17.073 -14.556 902 HE22 GLN 115 HE22 GLN 115 -0.290 17.605 -12.992 903 HA PRO 116 HA PRO 116 -4.266 12.594 -14.524 904 HB2 PRO 116 HB2 PRO 116 -4.577 15.507 -14.066 905 HB3 PRO 116 HB3 PRO 116 -5.616 14.169 -13.559 906 HG2 PRO 116 HG2 PRO 116 -4.060 15.448 -11.823 907 HG3 PRO 116 HG3 PRO 116 -4.335 13.705 -11.695 908 HD2 PRO 116 HD2 PRO 116 -1.944 15.190 -12.694 909 HD3 PRO 116 HD3 PRO 116 -2.027 13.673 -11.775 910 H VAL 117 H VAL 117 -4.317 12.379 -16.611 911 HA VAL 117 HA VAL 117 -3.002 14.316 -18.328 912 HB VAL 117 HB VAL 117 -2.390 12.094 -18.814 913 HG11 VAL 117 HG11 VAL 117 -3.969 10.316 -19.368 914 HG12 VAL 117 HG12 VAL 117 -5.314 11.424 -19.093 915 HG13 VAL 117 HG13 VAL 117 -4.270 10.955 -17.752 916 HG21 VAL 117 HG21 VAL 117 -3.107 11.784 -21.143 917 HG22 VAL 117 HG22 VAL 117 -2.658 13.453 -20.789 918 HG23 VAL 117 HG23 VAL 117 -4.359 13.001 -20.900 919 H ALA 118 H ALA 118 -3.927 15.470 -19.869 920 HA ALA 118 HA ALA 118 -6.637 15.242 -20.699 921 HB1 ALA 118 HB1 ALA 118 -5.962 17.556 -18.877 922 HB2 ALA 118 HB2 ALA 118 -7.044 16.219 -18.489 923 HB3 ALA 118 HB3 ALA 118 -7.469 17.352 -19.772 924 H ILE 119 H ILE 119 -6.815 16.154 -22.660 925 HA ILE 119 HA ILE 119 -4.552 17.782 -23.576 926 HB ILE 119 HB ILE 119 -6.722 16.498 -25.250 927 HG12 ILE 119 HG12 ILE 119 -5.389 14.777 -24.132 928 HG13 ILE 119 HG13 ILE 119 -5.004 14.823 -25.848 929 HG21 ILE 119 HG21 ILE 119 -5.204 16.923 -27.128 930 HG22 ILE 119 HG22 ILE 119 -4.073 17.719 -26.034 931 HG23 ILE 119 HG23 ILE 119 -5.665 18.423 -26.322 932 HD11 ILE 119 HD11 ILE 119 -3.358 16.025 -23.633 933 HD12 ILE 119 HD12 ILE 119 -2.970 16.081 -25.352 934 HD13 ILE 119 HD13 ILE 119 -3.006 14.534 -24.507 935 H SER 120 H SER 120 -5.111 19.741 -22.690 936 HA SER 120 HA SER 120 -7.504 21.018 -23.842 937 HB2 SER 120 HB2 SER 120 -6.303 21.636 -21.132 938 HB3 SER 120 HB3 SER 120 -7.818 22.252 -21.795 939 HG SER 120 HG SER 120 -8.525 20.006 -21.839 940 H SER 121 H SER 121 -4.143 21.244 -22.952 941 HA SER 121 HA SER 121 -4.001 23.904 -24.207 942 HB2 SER 121 HB2 SER 121 -3.383 23.710 -21.744 943 HB3 SER 121 HB3 SER 121 -2.011 22.726 -22.249 944 HG SER 121 HG SER 121 -1.009 24.529 -22.588 Start of MODEL 13 1 H1 MET 1 H1 MET 1 62.240 12.967 -44.843 2 H2 MET 1 H2 MET 1 62.732 14.256 -45.828 3 H3 MET 1 H3 MET 1 61.117 13.740 -45.852 4 HA MET 1 HA MET 1 62.507 14.950 -43.536 5 HB2 MET 1 HB2 MET 1 60.470 16.053 -45.474 6 HB3 MET 1 HB3 MET 1 60.841 16.807 -43.930 7 HG2 MET 1 HG2 MET 1 62.060 17.955 -45.610 8 HG3 MET 1 HG3 MET 1 63.211 17.002 -44.676 9 HE1 MET 1 HE1 MET 1 64.825 16.904 -48.215 10 HE2 MET 1 HE2 MET 1 65.087 17.206 -46.497 11 HE3 MET 1 HE3 MET 1 64.014 18.256 -47.423 12 H GLY 2 H GLY 2 61.062 15.443 -41.768 13 HA2 GLY 2 HA2 GLY 2 59.073 15.234 -40.546 14 HA3 GLY 2 HA3 GLY 2 58.425 14.201 -41.812 15 H HIS 3 H HIS 3 57.785 12.482 -40.694 16 HA HIS 3 HA HIS 3 57.894 10.479 -39.657 17 HB2 HIS 3 HB2 HIS 3 60.847 10.861 -40.122 18 HB3 HIS 3 HB3 HIS 3 60.199 9.436 -39.315 19 HD1 HIS 3 HD1 HIS 3 59.597 7.555 -40.805 20 HD2 HIS 3 HD2 HIS 3 59.669 11.182 -42.842 21 HE1 HIS 3 HE1 HIS 3 59.187 6.986 -43.220 22 HE2 HIS 3 HE2 HIS 3 59.003 9.210 -44.386 23 H HIS 4 H HIS 4 57.857 12.999 -38.207 24 HA HIS 4 HA HIS 4 59.180 12.326 -35.693 25 HB2 HIS 4 HB2 HIS 4 57.394 14.648 -36.477 26 HB3 HIS 4 HB3 HIS 4 58.066 14.428 -34.865 27 HD1 HIS 4 HD1 HIS 4 59.040 16.917 -35.638 28 HD2 HIS 4 HD2 HIS 4 60.750 13.526 -37.338 29 HE1 HIS 4 HE1 HIS 4 61.271 17.656 -36.536 30 HE2 HIS 4 HE2 HIS 4 62.354 15.550 -37.407 31 H HIS 5 H HIS 5 58.243 10.859 -34.426 32 HA HIS 5 HA HIS 5 55.376 10.365 -34.792 33 HB2 HIS 5 HB2 HIS 5 57.090 8.540 -35.179 34 HB3 HIS 5 HB3 HIS 5 57.400 8.567 -33.449 35 HD1 HIS 5 HD1 HIS 5 54.988 7.367 -36.005 36 HD2 HIS 5 HD2 HIS 5 55.315 7.496 -31.855 37 HE1 HIS 5 HE1 HIS 5 53.235 5.786 -35.133 38 HE2 HIS 5 HE2 HIS 5 53.568 5.748 -32.636 39 H HIS 6 H HIS 6 54.999 12.323 -33.386 40 HA HIS 6 HA HIS 6 54.928 11.380 -30.600 41 HB2 HIS 6 HB2 HIS 6 55.119 13.663 -29.779 42 HB3 HIS 6 HB3 HIS 6 56.506 13.241 -30.765 43 HD1 HIS 6 HD1 HIS 6 57.185 14.982 -32.388 44 HD2 HIS 6 HD2 HIS 6 53.182 15.338 -31.305 45 HE1 HIS 6 HE1 HIS 6 56.354 17.065 -33.522 46 HE2 HIS 6 HE2 HIS 6 53.985 17.352 -32.721 47 H HIS 7 H HIS 7 53.034 11.351 -32.987 48 HA HIS 7 HA HIS 7 50.726 12.747 -31.934 49 HB2 HIS 7 HB2 HIS 7 51.073 10.774 -34.198 50 HB3 HIS 7 HB3 HIS 7 49.490 11.335 -33.679 51 HD1 HIS 7 HD1 HIS 7 49.044 13.962 -33.980 52 HD2 HIS 7 HD2 HIS 7 52.374 12.424 -35.941 53 HE1 HIS 7 HE1 HIS 7 49.677 15.684 -35.696 54 HE2 HIS 7 HE2 HIS 7 51.528 14.616 -37.029 55 H HIS 8 H HIS 8 49.722 12.014 -30.164 56 HA HIS 8 HA HIS 8 49.342 9.106 -29.923 57 HB2 HIS 8 HB2 HIS 8 50.149 11.016 -27.726 58 HB3 HIS 8 HB3 HIS 8 49.522 9.397 -27.421 59 HD1 HIS 8 HD1 HIS 8 52.611 11.112 -27.684 60 HD2 HIS 8 HD2 HIS 8 51.225 7.398 -28.961 61 HE1 HIS 8 HE1 HIS 8 54.665 9.712 -28.079 62 HE2 HIS 8 HE2 HIS 8 53.813 7.495 -28.931 63 H SER 9 H SER 9 47.275 9.214 -30.698 64 HA SER 9 HA SER 9 45.325 9.974 -28.690 65 HB2 SER 9 HB2 SER 9 45.169 11.052 -31.520 66 HB3 SER 9 HB3 SER 9 43.892 11.182 -30.310 67 HG SER 9 HG SER 9 46.162 12.062 -29.234 68 H HIS 10 H HIS 10 44.628 7.951 -28.383 69 HA HIS 10 HA HIS 10 43.265 6.641 -30.621 70 HB2 HIS 10 HB2 HIS 10 45.221 5.214 -28.794 71 HB3 HIS 10 HB3 HIS 10 44.160 4.422 -29.950 72 HD1 HIS 10 HD1 HIS 10 44.664 5.052 -32.553 73 HD2 HIS 10 HD2 HIS 10 47.636 5.943 -29.780 74 HE1 HIS 10 HE1 HIS 10 46.775 5.353 -33.886 75 HE2 HIS 10 HE2 HIS 10 48.511 6.073 -32.210 76 H MET 11 H MET 11 41.216 6.500 -29.937 77 HA MET 11 HA MET 11 40.728 5.399 -27.274 78 HB2 MET 11 HB2 MET 11 39.042 7.115 -26.755 79 HB3 MET 11 HB3 MET 11 40.652 7.800 -26.909 80 HG2 MET 11 HG2 MET 11 40.106 8.567 -29.165 81 HG3 MET 11 HG3 MET 11 38.487 7.890 -28.999 82 HE1 MET 11 HE1 MET 11 40.090 11.409 -26.478 83 HE2 MET 11 HE2 MET 11 41.000 10.655 -27.787 84 HE3 MET 11 HE3 MET 11 40.669 9.752 -26.307 85 H ALA 12 H ALA 12 39.067 4.029 -27.195 86 HA ALA 12 HA ALA 12 37.210 3.943 -29.486 87 HB1 ALA 12 HB1 ALA 12 36.890 1.570 -28.996 88 HB2 ALA 12 HB2 ALA 12 38.014 1.685 -27.642 89 HB3 ALA 12 HB3 ALA 12 38.594 1.918 -29.290 90 H GLN 13 H GLN 13 34.990 3.874 -29.035 91 HA GLN 13 HA GLN 13 34.312 4.355 -26.204 92 HB2 GLN 13 HB2 GLN 13 33.165 5.848 -28.567 93 HB3 GLN 13 HB3 GLN 13 32.764 6.110 -26.876 94 HG2 GLN 13 HG2 GLN 13 35.111 6.771 -26.469 95 HG3 GLN 13 HG3 GLN 13 35.414 6.631 -28.201 96 HE21 GLN 13 HE21 GLN 13 34.445 8.119 -29.614 97 HE22 GLN 13 HE22 GLN 13 33.826 9.631 -29.049 98 H PHE 14 H PHE 14 32.789 3.070 -25.457 99 HA PHE 14 HA PHE 14 30.816 1.957 -27.350 100 HB2 PHE 14 HB2 PHE 14 31.908 0.628 -24.854 101 HB3 PHE 14 HB3 PHE 14 30.705 -0.049 -25.944 102 HD1 PHE 14 HD2 PHE 14 31.375 -0.622 -28.291 103 HD2 PHE 14 HD1 PHE 14 34.206 0.406 -25.283 104 HE1 PHE 14 HE2 PHE 14 33.161 -1.649 -29.631 105 HE2 PHE 14 HE1 PHE 14 36.000 -0.620 -26.620 106 HZ PHE 14 HZ PHE 14 35.478 -1.648 -28.795 107 HA PRO 15 HA PRO 15 28.306 4.530 -24.644 108 HB2 PRO 15 HB2 PRO 15 25.993 4.202 -26.062 109 HB3 PRO 15 HB3 PRO 15 27.255 5.360 -26.496 110 HG2 PRO 15 HG2 PRO 15 26.718 2.637 -27.606 111 HG3 PRO 15 HG3 PRO 15 27.165 4.125 -28.459 112 HD2 PRO 15 HD2 PRO 15 28.955 2.178 -27.925 113 HD3 PRO 15 HD3 PRO 15 29.403 3.897 -27.945 114 H THR 16 H THR 16 27.052 4.088 -22.940 115 HA THR 16 HA THR 16 26.371 1.309 -22.430 116 HB THR 16 HB THR 16 25.733 2.223 -20.152 117 HG1 THR 16 HG1 THR 16 25.443 4.422 -20.946 118 HG21 THR 16 HG21 THR 16 27.902 1.183 -20.534 119 HG22 THR 16 HG22 THR 16 28.077 2.563 -19.450 120 HG23 THR 16 HG23 THR 16 28.547 2.707 -21.144 121 HA PRO 17 HA PRO 17 22.156 2.028 -23.643 122 HB2 PRO 17 HB2 PRO 17 21.134 -0.350 -22.828 123 HB3 PRO 17 HB3 PRO 17 22.088 -0.166 -24.301 124 HG2 PRO 17 HG2 PRO 17 22.907 -1.195 -21.623 125 HG3 PRO 17 HG3 PRO 17 23.372 -1.767 -23.235 126 HD2 PRO 17 HD2 PRO 17 24.961 -0.186 -21.670 127 HD3 PRO 17 HD3 PRO 17 25.034 -0.203 -23.441 128 H PHE 18 H PHE 18 20.329 2.694 -22.734 129 HA PHE 18 HA PHE 18 18.810 3.396 -21.221 130 HB2 PHE 18 HB2 PHE 18 19.787 1.094 -19.521 131 HB3 PHE 18 HB3 PHE 18 18.255 1.945 -19.350 132 HD1 PHE 18 HD1 PHE 18 17.471 2.141 -22.225 133 HD2 PHE 18 HD2 PHE 18 19.110 -1.082 -19.987 134 HE1 PHE 18 HE1 PHE 18 16.413 0.540 -23.764 135 HE2 PHE 18 HE2 PHE 18 18.061 -2.687 -21.525 136 HZ PHE 18 HZ PHE 18 16.711 -1.879 -23.418 137 H GLY 19 H GLY 19 20.091 5.306 -20.986 138 HA2 GLY 19 HA2 GLY 19 21.397 5.492 -18.344 139 HA3 GLY 19 HA3 GLY 19 21.757 6.539 -19.711 140 H GLY 20 H GLY 20 20.030 6.252 -16.856 141 HA2 GLY 20 HA2 GLY 20 19.074 8.807 -16.769 142 HA3 GLY 20 HA3 GLY 20 17.790 7.902 -17.558 143 H SER 21 H SER 21 16.303 8.084 -15.936 144 HA SER 21 HA SER 21 16.986 7.489 -13.199 145 HB2 SER 21 HB2 SER 21 14.264 7.989 -14.427 146 HB3 SER 21 HB3 SER 21 14.683 8.074 -12.715 147 HG SER 21 HG SER 21 16.309 9.657 -14.204 148 H LEU 22 H LEU 22 15.789 5.891 -11.926 149 HA LEU 22 HA LEU 22 15.232 3.472 -13.513 150 HB2 LEU 22 HB2 LEU 22 16.350 3.770 -10.730 151 HB3 LEU 22 HB3 LEU 22 15.737 2.249 -11.344 152 HG LEU 22 HG LEU 22 17.452 2.528 -13.238 153 HD11 LEU 22 HD11 LEU 22 18.607 4.469 -11.241 154 HD12 LEU 22 HD12 LEU 22 18.006 4.868 -12.851 155 HD13 LEU 22 HD13 LEU 22 19.430 3.843 -12.671 156 HD21 LEU 22 HD21 LEU 22 17.635 0.863 -11.482 157 HD22 LEU 22 HD22 LEU 22 18.365 2.055 -10.406 158 HD23 LEU 22 HD23 LEU 22 19.217 1.543 -11.865 159 H ASP 23 H ASP 23 13.816 1.887 -12.182 160 HA ASP 23 HA ASP 23 11.341 3.332 -11.686 161 HB2 ASP 23 HB2 ASP 23 10.259 1.160 -11.897 162 HB3 ASP 23 HB3 ASP 23 11.368 1.405 -13.241 163 H THR 24 H THR 24 13.319 3.579 -9.659 164 HA THR 24 HA THR 24 12.960 1.785 -7.517 165 HB THR 24 HB THR 24 13.634 4.704 -7.184 166 HG1 THR 24 HG1 THR 24 15.521 4.383 -8.119 167 HG21 THR 24 HG21 THR 24 13.387 3.394 -5.135 168 HG22 THR 24 HG22 THR 24 15.073 3.848 -5.384 169 HG23 THR 24 HG23 THR 24 14.540 2.205 -5.742 170 H TRP 25 H TRP 25 11.768 5.147 -7.756 171 HA TRP 25 HA TRP 25 9.611 4.494 -5.918 172 HB2 TRP 25 HB2 TRP 25 10.633 7.068 -7.094 173 HB3 TRP 25 HB3 TRP 25 9.109 6.995 -6.213 174 HD1 TRP 25 HD1 TRP 25 12.774 7.363 -5.664 175 HE1 TRP 25 HE1 TRP 25 13.295 7.292 -3.138 176 HE3 TRP 25 HE3 TRP 25 8.267 5.683 -3.963 177 HZ2 TRP 25 HZ2 TRP 25 11.955 6.599 -0.739 178 HZ3 TRP 25 HZ3 TRP 25 7.963 5.332 -1.552 179 HH2 TRP 25 HH2 TRP 25 9.764 5.778 0.029 180 H ALA 26 H ALA 26 10.147 4.940 -9.280 181 HA ALA 26 HA ALA 26 7.509 5.556 -10.085 182 HB1 ALA 26 HB1 ALA 26 9.668 4.106 -11.619 183 HB2 ALA 26 HB2 ALA 26 9.444 5.855 -11.561 184 HB3 ALA 26 HB3 ALA 26 8.214 4.832 -12.306 185 H ILE 27 H ILE 27 5.810 4.229 -10.688 186 HA ILE 27 HA ILE 27 5.950 1.478 -9.769 187 HB ILE 27 HB ILE 27 3.636 3.072 -10.874 188 HG12 ILE 27 HG12 ILE 27 4.263 2.020 -8.106 189 HG13 ILE 27 HG13 ILE 27 4.331 3.703 -8.609 190 HG21 ILE 27 HG21 ILE 27 3.652 0.239 -9.832 191 HG22 ILE 27 HG22 ILE 27 3.400 0.727 -11.509 192 HG23 ILE 27 HG23 ILE 27 2.218 1.165 -10.276 193 HD11 ILE 27 HD11 ILE 27 1.858 1.999 -8.487 194 HD12 ILE 27 HD12 ILE 27 1.924 3.688 -8.987 195 HD13 ILE 27 HD13 ILE 27 2.325 3.241 -7.328 196 H THR 28 H THR 28 7.062 0.266 -11.104 197 HA THR 28 HA THR 28 7.187 0.480 -13.903 198 HB THR 28 HB THR 28 7.606 -2.194 -12.732 199 HG1 THR 28 HG1 THR 28 9.684 -0.962 -11.817 200 HG21 THR 28 HG21 THR 28 8.459 -1.564 -14.941 201 HG22 THR 28 HG22 THR 28 9.781 -1.955 -13.839 202 HG23 THR 28 HG23 THR 28 9.410 -0.271 -14.208 203 H VAL 29 H VAL 29 6.324 -1.032 -15.488 204 HA VAL 29 HA VAL 29 3.626 -1.583 -15.375 205 HB VAL 29 HB VAL 29 4.902 -1.629 -17.448 206 HG11 VAL 29 HG11 VAL 29 6.928 -2.707 -16.699 207 HG12 VAL 29 HG12 VAL 29 6.256 -3.578 -18.077 208 HG13 VAL 29 HG13 VAL 29 6.058 -4.220 -16.446 209 HG21 VAL 29 HG21 VAL 29 2.743 -2.722 -17.451 210 HG22 VAL 29 HG22 VAL 29 3.479 -4.227 -16.903 211 HG23 VAL 29 HG23 VAL 29 3.859 -3.591 -18.504 212 H GLU 30 H GLU 30 6.305 -3.546 -14.281 213 HA GLU 30 HA GLU 30 4.866 -5.907 -13.744 214 HB2 GLU 30 HB2 GLU 30 7.421 -4.903 -12.480 215 HB3 GLU 30 HB3 GLU 30 6.841 -6.559 -12.498 216 HG2 GLU 30 HG2 GLU 30 7.008 -6.582 -14.945 217 HG3 GLU 30 HG3 GLU 30 7.654 -4.944 -14.898 218 H GLU 31 H GLU 31 5.881 -3.209 -11.637 219 HA GLU 31 HA GLU 31 4.638 -4.128 -9.292 220 HB2 GLU 31 HB2 GLU 31 5.046 -1.246 -10.141 221 HB3 GLU 31 HB3 GLU 31 4.782 -1.818 -8.501 222 HG2 GLU 31 HG2 GLU 31 7.157 -2.561 -10.192 223 HG3 GLU 31 HG3 GLU 31 7.138 -1.240 -9.026 224 H ARG 32 H ARG 32 3.489 -2.247 -12.009 225 HA ARG 32 HA ARG 32 0.963 -1.504 -11.056 226 HB2 ARG 32 HB2 ARG 32 2.216 -0.717 -13.138 227 HB3 ARG 32 HB3 ARG 32 1.636 -2.169 -13.922 228 HG2 ARG 32 HG2 ARG 32 -0.281 -0.241 -12.666 229 HG3 ARG 32 HG3 ARG 32 0.357 0.029 -14.288 230 HD2 ARG 32 HD2 ARG 32 -0.462 -2.230 -14.913 231 HD3 ARG 32 HD3 ARG 32 -1.215 -2.353 -13.324 232 HE ARG 32 HE ARG 32 -2.179 -0.014 -14.380 233 HH11 ARG 32 HH11 ARG 32 -2.151 -3.371 -15.358 234 HH12 ARG 32 HH12 ARG 32 -3.631 -3.261 -16.269 235 HH21 ARG 32 HH21 ARG 32 -4.135 0.144 -15.582 236 HH22 ARG 32 HH22 ARG 32 -4.776 -1.273 -16.362 237 H ALA 33 H ALA 33 2.117 -4.462 -12.567 238 HA ALA 33 HA ALA 33 -0.536 -5.644 -12.635 239 HB1 ALA 33 HB1 ALA 33 1.069 -6.155 -14.405 240 HB2 ALA 33 HB2 ALA 33 0.580 -7.614 -13.542 241 HB3 ALA 33 HB3 ALA 33 2.153 -6.882 -13.221 242 H LYS 34 H LYS 34 2.088 -5.451 -10.454 243 HA LYS 34 HA LYS 34 1.842 -7.968 -9.176 244 HB2 LYS 34 HB2 LYS 34 3.824 -6.347 -9.189 245 HB3 LYS 34 HB3 LYS 34 2.971 -5.477 -7.922 246 HG2 LYS 34 HG2 LYS 34 4.555 -6.917 -6.889 247 HG3 LYS 34 HG3 LYS 34 2.945 -7.582 -6.594 248 HD2 LYS 34 HD2 LYS 34 3.236 -9.239 -8.273 249 HD3 LYS 34 HD3 LYS 34 4.709 -8.468 -8.855 250 HE2 LYS 34 HE2 LYS 34 4.283 -9.927 -6.252 251 HE3 LYS 34 HE3 LYS 34 5.357 -10.380 -7.576 252 HZ1 LYS 34 HZ1 LYS 34 5.661 -8.140 -5.660 253 HZ2 LYS 34 HZ2 LYS 34 6.545 -8.211 -7.104 254 HZ3 LYS 34 HZ3 LYS 34 6.723 -9.428 -5.939 255 H HIS 35 H HIS 35 0.404 -4.825 -8.589 256 HA HIS 35 HA HIS 35 -0.422 -5.185 -5.957 257 HB2 HIS 35 HB2 HIS 35 -1.778 -3.308 -6.193 258 HB3 HIS 35 HB3 HIS 35 -0.524 -3.053 -7.394 259 HD1 HIS 35 HD1 HIS 35 -3.969 -2.585 -7.026 260 HD2 HIS 35 HD2 HIS 35 -1.630 -4.177 -10.063 261 HE1 HIS 35 HE1 HIS 35 -5.375 -2.452 -9.103 262 HE2 HIS 35 HE2 HIS 35 -4.000 -3.568 -10.894 263 H ASP 36 H ASP 36 -1.909 -6.314 -8.906 264 HA ASP 36 HA ASP 36 -4.449 -6.937 -7.819 265 HB2 ASP 36 HB2 ASP 36 -3.996 -6.684 -10.255 266 HB3 ASP 36 HB3 ASP 36 -3.107 -8.204 -10.218 267 H GLN 37 H GLN 37 -1.472 -8.747 -8.228 268 HA GLN 37 HA GLN 37 -2.381 -11.296 -7.511 269 HB2 GLN 37 HB2 GLN 37 -0.200 -10.850 -8.542 270 HB3 GLN 37 HB3 GLN 37 0.330 -10.024 -7.084 271 HG2 GLN 37 HG2 GLN 37 0.039 -12.161 -5.849 272 HG3 GLN 37 HG3 GLN 37 -0.298 -12.947 -7.393 273 HE21 GLN 37 HE21 GLN 37 1.348 -13.155 -8.905 274 HE22 GLN 37 HE22 GLN 37 3.017 -12.982 -8.478 275 H GLN 38 H GLN 38 -1.040 -8.677 -5.557 276 HA GLN 38 HA GLN 38 -1.153 -10.082 -3.092 277 HB2 GLN 38 HB2 GLN 38 -0.658 -7.267 -3.933 278 HB3 GLN 38 HB3 GLN 38 -1.083 -7.554 -2.257 279 HG2 GLN 38 HG2 GLN 38 1.389 -7.461 -2.892 280 HG3 GLN 38 HG3 GLN 38 0.844 -8.760 -1.834 281 HE21 GLN 38 HE21 GLN 38 1.887 -7.947 -5.061 282 HE22 GLN 38 HE22 GLN 38 2.239 -9.564 -5.551 283 H PHE 39 H PHE 39 -3.265 -7.685 -4.626 284 HA PHE 39 HA PHE 39 -5.159 -7.507 -2.558 285 HB2 PHE 39 HB2 PHE 39 -5.141 -5.841 -4.278 286 HB3 PHE 39 HB3 PHE 39 -5.371 -7.050 -5.536 287 HD1 PHE 39 HD1 PHE 39 -7.063 -5.728 -2.485 288 HD2 PHE 39 HD2 PHE 39 -7.462 -7.370 -6.388 289 HE1 PHE 39 HE1 PHE 39 -9.496 -5.385 -2.382 290 HE2 PHE 39 HE2 PHE 39 -9.894 -7.033 -6.288 291 HZ PHE 39 HZ PHE 39 -10.912 -6.028 -4.286 292 H HIS 40 H HIS 40 -4.892 -9.677 -5.319 293 HA HIS 40 HA HIS 40 -7.370 -10.978 -5.080 294 HB2 HIS 40 HB2 HIS 40 -4.996 -11.267 -6.635 295 HB3 HIS 40 HB3 HIS 40 -5.388 -12.845 -5.959 296 HD1 HIS 40 HD1 HIS 40 -6.111 -10.742 -8.782 297 HD2 HIS 40 HD2 HIS 40 -8.230 -13.560 -6.556 298 HE1 HIS 40 HE1 HIS 40 -8.027 -11.474 -10.243 299 HE2 HIS 40 HE2 HIS 40 -9.199 -13.282 -8.943 300 H SER 41 H SER 41 -4.371 -11.348 -3.347 301 HA SER 41 HA SER 41 -4.972 -13.925 -2.276 302 HB2 SER 41 HB2 SER 41 -2.921 -11.892 -1.365 303 HB3 SER 41 HB3 SER 41 -2.951 -13.602 -0.953 304 HG SER 41 HG SER 41 -2.752 -12.623 -3.617 305 H LEU 42 H LEU 42 -5.871 -10.728 -1.439 306 HA LEU 42 HA LEU 42 -6.138 -11.226 1.392 307 HB2 LEU 42 HB2 LEU 42 -6.868 -8.909 -0.375 308 HB3 LEU 42 HB3 LEU 42 -7.297 -8.956 1.325 309 HG LEU 42 HG LEU 42 -4.481 -9.087 0.248 310 HD11 LEU 42 HD11 LEU 42 -4.251 -6.829 1.136 311 HD12 LEU 42 HD12 LEU 42 -5.950 -6.829 1.603 312 HD13 LEU 42 HD13 LEU 42 -5.504 -6.895 -0.102 313 HD21 LEU 42 HD21 LEU 42 -5.542 -8.883 3.063 314 HD22 LEU 42 HD22 LEU 42 -3.844 -8.784 2.596 315 HD23 LEU 42 HD23 LEU 42 -4.742 -10.282 2.347 316 H LYS 43 H LYS 43 -7.828 -12.371 -1.066 317 HA LYS 43 HA LYS 43 -9.923 -13.135 -1.460 318 HB2 LYS 43 HB2 LYS 43 -10.019 -13.065 1.559 319 HB3 LYS 43 HB3 LYS 43 -11.251 -13.817 0.555 320 HG2 LYS 43 HG2 LYS 43 -9.614 -15.388 -0.312 321 HG3 LYS 43 HG3 LYS 43 -8.348 -14.609 0.643 322 HD2 LYS 43 HD2 LYS 43 -9.484 -15.208 2.696 323 HD3 LYS 43 HD3 LYS 43 -10.819 -15.910 1.782 324 HE2 LYS 43 HE2 LYS 43 -9.344 -17.599 0.870 325 HE3 LYS 43 HE3 LYS 43 -7.962 -16.860 1.681 326 HZ1 LYS 43 HZ1 LYS 43 -8.887 -17.417 3.798 327 HZ2 LYS 43 HZ2 LYS 43 -8.875 -18.820 2.848 328 HZ3 LYS 43 HZ3 LYS 43 -10.324 -17.978 3.091 329 HA PRO 44 HA PRO 44 -11.689 -8.805 -1.231 330 HB2 PRO 44 HB2 PRO 44 -12.628 -9.693 -3.867 331 HB3 PRO 44 HB3 PRO 44 -11.836 -8.189 -3.407 332 HG2 PRO 44 HG2 PRO 44 -10.636 -10.249 -4.778 333 HG3 PRO 44 HG3 PRO 44 -9.779 -8.997 -3.877 334 HD2 PRO 44 HD2 PRO 44 -10.078 -11.830 -3.263 335 HD3 PRO 44 HD3 PRO 44 -9.001 -10.630 -2.533 336 H ILE 45 H ILE 45 -13.637 -8.561 -0.399 337 HA ILE 45 HA ILE 45 -15.215 -10.840 0.176 338 HB ILE 45 HB ILE 45 -14.967 -8.915 1.710 339 HG12 ILE 45 HG12 ILE 45 -17.848 -9.443 0.954 340 HG13 ILE 45 HG13 ILE 45 -16.851 -10.538 1.906 341 HG21 ILE 45 HG21 ILE 45 -16.787 -7.490 -0.223 342 HG22 ILE 45 HG22 ILE 45 -15.094 -7.108 0.092 343 HG23 ILE 45 HG23 ILE 45 -16.295 -6.896 1.364 344 HD11 ILE 45 HD11 ILE 45 -16.647 -8.855 3.646 345 HD12 ILE 45 HD12 ILE 45 -18.340 -9.210 3.303 346 HD13 ILE 45 HD13 ILE 45 -17.606 -7.731 2.685 347 H SER 46 H SER 46 -15.385 -8.367 -2.220 348 HA SER 46 HA SER 46 -17.465 -9.887 -3.586 349 HB2 SER 46 HB2 SER 46 -17.547 -6.859 -3.429 350 HB3 SER 46 HB3 SER 46 -18.760 -7.930 -4.130 351 HG SER 46 HG SER 46 -19.028 -8.788 -1.952 352 H GLY 47 H GLY 47 -15.833 -6.787 -4.089 353 HA2 GLY 47 HA2 GLY 47 -13.986 -8.019 -5.985 354 HA3 GLY 47 HA3 GLY 47 -15.022 -6.725 -6.583 355 H PHE 48 H PHE 48 -14.048 -6.644 -3.286 356 HA PHE 48 HA PHE 48 -11.782 -4.954 -3.615 357 HB2 PHE 48 HB2 PHE 48 -12.933 -2.936 -2.587 358 HB3 PHE 48 HB3 PHE 48 -13.303 -3.257 -4.276 359 HD1 PHE 48 HD2 PHE 48 -14.591 -3.529 -0.824 360 HD2 PHE 48 HD1 PHE 48 -15.506 -3.698 -4.977 361 HE1 PHE 48 HE2 PHE 48 -16.992 -3.519 -0.294 362 HE2 PHE 48 HE1 PHE 48 -17.907 -3.693 -4.454 363 HZ PHE 48 HZ PHE 48 -18.654 -3.603 -2.110 364 H ILE 49 H ILE 49 -11.416 -3.764 -1.393 365 HA ILE 49 HA ILE 49 -12.219 -5.552 0.797 366 HB ILE 49 HB ILE 49 -9.959 -5.206 1.801 367 HG12 ILE 49 HG12 ILE 49 -9.223 -4.169 -0.946 368 HG13 ILE 49 HG13 ILE 49 -9.389 -3.165 0.491 369 HG21 ILE 49 HG21 ILE 49 -9.983 -6.584 -0.884 370 HG22 ILE 49 HG22 ILE 49 -10.504 -7.283 0.649 371 HG23 ILE 49 HG23 ILE 49 -8.810 -6.857 0.404 372 HD11 ILE 49 HD11 ILE 49 -7.560 -4.401 1.545 373 HD12 ILE 49 HD12 ILE 49 -7.063 -3.636 0.037 374 HD13 ILE 49 HD13 ILE 49 -7.385 -5.370 0.083 375 H THR 50 H THR 50 -10.892 -4.194 2.833 376 HA THR 50 HA THR 50 -11.652 -1.401 2.679 377 HB THR 50 HB THR 50 -13.702 -2.649 3.449 378 HG1 THR 50 HG1 THR 50 -13.736 -0.578 4.084 379 HG21 THR 50 HG21 THR 50 -13.751 -3.500 5.740 380 HG22 THR 50 HG22 THR 50 -12.028 -3.162 5.910 381 HG23 THR 50 HG23 THR 50 -12.578 -4.386 4.765 382 H GLY 51 H GLY 51 -11.185 -0.423 5.022 383 HA2 GLY 51 HA2 GLY 51 -8.421 -0.549 5.365 384 HA3 GLY 51 HA3 GLY 51 -9.547 0.162 6.511 385 H ASP 52 H ASP 52 -10.957 -2.356 6.994 386 HA ASP 52 HA ASP 52 -9.456 -3.329 9.154 387 HB2 ASP 52 HB2 ASP 52 -11.897 -3.553 9.031 388 HB3 ASP 52 HB3 ASP 52 -11.733 -4.677 7.687 389 H GLN 53 H GLN 53 -9.852 -4.555 5.867 390 HA GLN 53 HA GLN 53 -8.254 -6.888 6.263 391 HB2 GLN 53 HB2 GLN 53 -9.093 -5.434 3.743 392 HB3 GLN 53 HB3 GLN 53 -8.193 -6.943 3.744 393 HG2 GLN 53 HG2 GLN 53 -10.914 -6.576 4.976 394 HG3 GLN 53 HG3 GLN 53 -10.615 -7.228 3.367 395 HE21 GLN 53 HE21 GLN 53 -9.704 -9.283 3.156 396 HE22 GLN 53 HE22 GLN 53 -9.655 -10.394 4.475 397 H ALA 54 H ALA 54 -7.692 -3.651 5.000 398 HA ALA 54 HA ALA 54 -5.063 -3.949 4.118 399 HB1 ALA 54 HB1 ALA 54 -6.394 -1.507 5.289 400 HB2 ALA 54 HB2 ALA 54 -6.424 -2.001 3.595 401 HB3 ALA 54 HB3 ALA 54 -4.903 -1.511 4.344 402 H ARG 55 H ARG 55 -6.313 -2.972 7.279 403 HA ARG 55 HA ARG 55 -3.868 -2.392 8.508 404 HB2 ARG 55 HB2 ARG 55 -6.014 -1.701 9.418 405 HB3 ARG 55 HB3 ARG 55 -6.474 -3.374 9.685 406 HG2 ARG 55 HG2 ARG 55 -4.599 -3.570 11.303 407 HG3 ARG 55 HG3 ARG 55 -4.312 -1.837 11.104 408 HD2 ARG 55 HD2 ARG 55 -6.553 -1.352 11.879 409 HD3 ARG 55 HD3 ARG 55 -6.909 -3.072 12.004 410 HE ARG 55 HE ARG 55 -4.711 -1.985 13.606 411 HH11 ARG 55 HH11 ARG 55 -7.948 -3.294 13.417 412 HH12 ARG 55 HH12 ARG 55 -8.089 -3.550 15.129 413 HH21 ARG 55 HH21 ARG 55 -4.870 -2.317 15.851 414 HH22 ARG 55 HH22 ARG 55 -6.319 -3.006 16.524 415 H ASN 56 H ASN 56 -5.644 -5.449 8.270 416 HA ASN 56 HA ASN 56 -3.804 -6.861 9.938 417 HB2 ASN 56 HB2 ASN 56 -6.033 -7.748 8.118 418 HB3 ASN 56 HB3 ASN 56 -4.999 -8.896 8.957 419 HD21 ASN 56 HD21 ASN 56 -7.853 -8.438 9.250 420 HD22 ASN 56 HD22 ASN 56 -8.111 -8.020 10.908 421 H PHE 57 H PHE 57 -4.152 -6.340 6.475 422 HA PHE 57 HA PHE 57 -2.117 -8.075 5.596 423 HB2 PHE 57 HB2 PHE 57 -3.673 -6.958 4.051 424 HB3 PHE 57 HB3 PHE 57 -2.954 -5.401 4.451 425 HD1 PHE 57 HD1 PHE 57 -0.774 -4.794 3.638 426 HD2 PHE 57 HD2 PHE 57 -2.512 -8.542 2.637 427 HE1 PHE 57 HE1 PHE 57 0.894 -5.095 1.882 428 HE2 PHE 57 HE2 PHE 57 -0.836 -8.852 0.861 429 HZ PHE 57 HZ PHE 57 0.877 -7.122 0.477 430 H PHE 58 H PHE 58 -2.028 -4.681 6.590 431 HA PHE 58 HA PHE 58 0.682 -4.172 6.448 432 HB2 PHE 58 HB2 PHE 58 -1.288 -3.301 8.572 433 HB3 PHE 58 HB3 PHE 58 0.311 -2.606 8.354 434 HD1 PHE 58 HD1 PHE 58 0.026 -2.812 5.209 435 HD2 PHE 58 HD2 PHE 58 -2.325 -1.142 8.329 436 HE1 PHE 58 HE1 PHE 58 -0.891 -1.166 3.629 437 HE2 PHE 58 HE2 PHE 58 -3.248 0.507 6.757 438 HZ PHE 58 HZ PHE 58 -2.529 0.496 4.407 439 H PHE 59 H PHE 59 -1.135 -5.645 9.090 440 HA PHE 59 HA PHE 59 0.930 -5.870 10.945 441 HB2 PHE 59 HB2 PHE 59 -1.399 -6.144 11.559 442 HB3 PHE 59 HB3 PHE 59 -1.524 -7.590 10.564 443 HD1 PHE 59 HD1 PHE 59 0.379 -6.223 13.459 444 HD2 PHE 59 HD2 PHE 59 -1.230 -9.662 11.532 445 HE1 PHE 59 HE1 PHE 59 1.032 -7.609 15.389 446 HE2 PHE 59 HE2 PHE 59 -0.585 -11.049 13.455 447 HZ PHE 59 HZ PHE 59 0.548 -10.025 15.385 448 H GLN 60 H GLN 60 -0.178 -8.243 8.522 449 HA GLN 60 HA GLN 60 1.640 -10.258 9.408 450 HB2 GLN 60 HB2 GLN 60 0.905 -11.537 7.481 451 HB3 GLN 60 HB3 GLN 60 -0.477 -10.799 8.273 452 HG2 GLN 60 HG2 GLN 60 -0.546 -9.065 6.567 453 HG3 GLN 60 HG3 GLN 60 0.861 -9.777 5.780 454 HE21 GLN 60 HE21 GLN 60 -0.243 -10.138 3.873 455 HE22 GLN 60 HE22 GLN 60 -1.441 -11.373 3.713 456 H SER 61 H SER 61 2.239 -7.439 7.806 457 HA SER 61 HA SER 61 4.304 -8.446 6.049 458 HB2 SER 61 HB2 SER 61 3.563 -5.608 6.798 459 HB3 SER 61 HB3 SER 61 4.715 -6.063 5.544 460 HG SER 61 HG SER 61 1.923 -6.594 5.608 461 H GLY 62 H GLY 62 4.012 -7.490 9.322 462 HA2 GLY 62 HA2 GLY 62 5.663 -7.965 10.931 463 HA3 GLY 62 HA3 GLY 62 6.867 -7.987 9.655 464 H LEU 63 H LEU 63 4.535 -5.423 10.276 465 HA LEU 63 HA LEU 63 6.730 -3.745 11.284 466 HB2 LEU 63 HB2 LEU 63 4.702 -3.086 9.158 467 HB3 LEU 63 HB3 LEU 63 5.532 -1.834 10.058 468 HG LEU 63 HG LEU 63 6.923 -3.917 8.362 469 HD11 LEU 63 HD11 LEU 63 7.301 -2.073 6.796 470 HD12 LEU 63 HD12 LEU 63 6.285 -1.026 7.789 471 HD13 LEU 63 HD13 LEU 63 5.584 -2.430 6.984 472 HD21 LEU 63 HD21 LEU 63 8.872 -2.479 8.650 473 HD22 LEU 63 HD22 LEU 63 8.277 -3.058 10.207 474 HD23 LEU 63 HD23 LEU 63 7.935 -1.406 9.693 475 HA PRO 64 HA PRO 64 3.892 -2.705 14.538 476 HB2 PRO 64 HB2 PRO 64 5.120 -0.048 14.690 477 HB3 PRO 64 HB3 PRO 64 5.149 -1.361 15.870 478 HG2 PRO 64 HG2 PRO 64 7.343 -0.648 14.477 479 HG3 PRO 64 HG3 PRO 64 7.030 -2.327 14.952 480 HD2 PRO 64 HD2 PRO 64 6.613 -0.999 12.300 481 HD3 PRO 64 HD3 PRO 64 7.278 -2.607 12.663 482 H GLN 65 H GLN 65 2.046 -1.509 14.950 483 HA GLN 65 HA GLN 65 0.586 -0.695 12.750 484 HB2 GLN 65 HB2 GLN 65 0.138 -0.078 15.661 485 HB3 GLN 65 HB3 GLN 65 -1.022 0.313 14.398 486 HG2 GLN 65 HG2 GLN 65 -0.967 -2.146 13.785 487 HG3 GLN 65 HG3 GLN 65 -0.102 -2.399 15.300 488 HE21 GLN 65 HE21 GLN 65 -1.184 -2.087 17.254 489 HE22 GLN 65 HE22 GLN 65 -2.911 -1.987 17.341 490 HA PRO 66 HA PRO 66 1.526 4.034 14.062 491 HB2 PRO 66 HB2 PRO 66 4.385 3.396 14.686 492 HB3 PRO 66 HB3 PRO 66 3.362 4.698 15.310 493 HG2 PRO 66 HG2 PRO 66 3.851 2.565 16.799 494 HG3 PRO 66 HG3 PRO 66 2.228 3.282 16.767 495 HD2 PRO 66 HD2 PRO 66 3.230 0.791 15.466 496 HD3 PRO 66 HD3 PRO 66 1.636 1.138 16.164 497 H VAL 67 H VAL 67 3.806 1.714 12.690 498 HA VAL 67 HA VAL 67 4.679 3.531 10.612 499 HB VAL 67 HB VAL 67 5.228 0.567 10.924 500 HG11 VAL 67 HG11 VAL 67 6.644 2.660 9.281 501 HG12 VAL 67 HG12 VAL 67 5.610 1.373 8.659 502 HG13 VAL 67 HG13 VAL 67 7.133 0.973 9.453 503 HG21 VAL 67 HG21 VAL 67 6.852 2.942 11.834 504 HG22 VAL 67 HG22 VAL 67 7.387 1.262 11.876 505 HG23 VAL 67 HG23 VAL 67 6.023 1.778 12.869 506 H LEU 68 H LEU 68 2.450 0.902 11.045 507 HA LEU 68 HA LEU 68 1.889 0.330 8.333 508 HB2 LEU 68 HB2 LEU 68 0.112 0.013 10.749 509 HB3 LEU 68 HB3 LEU 68 -0.083 -0.797 9.210 510 HG LEU 68 HG LEU 68 2.181 -1.199 11.162 511 HD11 LEU 68 HD11 LEU 68 0.126 -2.231 11.906 512 HD12 LEU 68 HD12 LEU 68 1.258 -3.469 11.362 513 HD13 LEU 68 HD13 LEU 68 -0.092 -2.995 10.332 514 HD21 LEU 68 HD21 LEU 68 1.677 -2.477 8.482 515 HD22 LEU 68 HD22 LEU 68 2.907 -2.983 9.639 516 HD23 LEU 68 HD23 LEU 68 2.999 -1.387 8.895 517 H ALA 69 H ALA 69 0.251 2.330 10.733 518 HA ALA 69 HA ALA 69 -1.856 3.255 9.144 519 HB1 ALA 69 HB1 ALA 69 -2.103 5.033 10.791 520 HB2 ALA 69 HB2 ALA 69 -0.498 4.677 11.431 521 HB3 ALA 69 HB3 ALA 69 -1.791 3.487 11.583 522 H GLN 70 H GLN 70 1.465 4.273 9.364 523 HA GLN 70 HA GLN 70 1.322 6.762 8.095 524 HB2 GLN 70 HB2 GLN 70 3.257 5.681 9.345 525 HB3 GLN 70 HB3 GLN 70 3.556 4.734 7.900 526 HG2 GLN 70 HG2 GLN 70 3.477 7.697 7.683 527 HG3 GLN 70 HG3 GLN 70 4.879 6.922 8.412 528 HE21 GLN 70 HE21 GLN 70 3.106 7.478 5.502 529 HE22 GLN 70 HE22 GLN 70 4.279 6.823 4.416 530 H ILE 71 H ILE 71 1.675 3.472 6.851 531 HA ILE 71 HA ILE 71 1.899 4.161 4.100 532 HB ILE 71 HB ILE 71 0.924 1.600 5.391 533 HG12 ILE 71 HG12 ILE 71 3.593 1.983 4.097 534 HG13 ILE 71 HG13 ILE 71 3.343 2.545 5.741 535 HG21 ILE 71 HG21 ILE 71 0.154 1.783 3.080 536 HG22 ILE 71 HG22 ILE 71 1.393 0.538 3.238 537 HG23 ILE 71 HG23 ILE 71 1.805 2.109 2.549 538 HD11 ILE 71 HD11 ILE 71 4.322 0.326 5.699 539 HD12 ILE 71 HD12 ILE 71 2.953 -0.272 4.761 540 HD13 ILE 71 HD13 ILE 71 2.712 0.288 6.416 541 H TRP 72 H TRP 72 -0.798 3.194 6.153 542 HA TRP 72 HA TRP 72 -2.762 3.121 4.143 543 HB2 TRP 72 HB2 TRP 72 -2.987 2.043 6.357 544 HB3 TRP 72 HB3 TRP 72 -3.105 3.628 7.106 545 HD1 TRP 72 HD1 TRP 72 -4.975 2.706 3.878 546 HE1 TRP 72 HE1 TRP 72 -7.495 2.819 4.352 547 HE3 TRP 72 HE3 TRP 72 -4.797 3.515 8.914 548 HZ2 TRP 72 HZ2 TRP 72 -9.194 3.174 6.596 549 HZ3 TRP 72 HZ3 TRP 72 -6.912 3.718 10.153 550 HH2 TRP 72 HH2 TRP 72 -9.062 3.554 9.015 551 H ALA 73 H ALA 73 -1.676 5.716 6.291 552 HA ALA 73 HA ALA 73 -3.733 7.542 5.674 553 HB1 ALA 73 HB1 ALA 73 -2.238 7.761 7.623 554 HB2 ALA 73 HB2 ALA 73 -2.311 9.236 6.658 555 HB3 ALA 73 HB3 ALA 73 -0.912 8.170 6.537 556 H LEU 74 H LEU 74 -0.852 6.613 4.019 557 HA LEU 74 HA LEU 74 -0.938 8.816 2.137 558 HB2 LEU 74 HB2 LEU 74 0.888 6.543 2.713 559 HB3 LEU 74 HB3 LEU 74 0.908 7.223 1.099 560 HG LEU 74 HG LEU 74 1.447 8.738 3.658 561 HD11 LEU 74 HD11 LEU 74 3.731 8.884 2.777 562 HD12 LEU 74 HD12 LEU 74 3.272 7.837 1.433 563 HD13 LEU 74 HD13 LEU 74 3.244 7.216 3.084 564 HD21 LEU 74 HD21 LEU 74 2.046 10.582 2.169 565 HD22 LEU 74 HD22 LEU 74 0.355 10.120 1.972 566 HD23 LEU 74 HD23 LEU 74 1.549 9.621 0.775 567 H ALA 75 H ALA 75 -1.948 5.498 2.329 568 HA ALA 75 HA ALA 75 -1.689 4.823 -0.386 569 HB1 ALA 75 HB1 ALA 75 -3.537 3.607 1.663 570 HB2 ALA 75 HB2 ALA 75 -1.847 3.164 1.417 571 HB3 ALA 75 HB3 ALA 75 -3.030 2.871 0.143 572 H ASP 76 H ASP 76 -4.838 5.113 1.308 573 HA ASP 76 HA ASP 76 -5.986 5.901 -1.203 574 HB2 ASP 76 HB2 ASP 76 -8.074 6.281 0.323 575 HB3 ASP 76 HB3 ASP 76 -7.583 4.661 -0.119 576 H MET 77 H MET 77 -5.352 7.712 -1.874 577 HA MET 77 HA MET 77 -4.407 9.899 -0.511 578 HB2 MET 77 HB2 MET 77 -5.691 9.648 -3.212 579 HB3 MET 77 HB3 MET 77 -5.079 11.192 -2.630 580 HG2 MET 77 HG2 MET 77 -2.857 10.324 -2.464 581 HG3 MET 77 HG3 MET 77 -3.414 8.689 -2.811 582 HE1 MET 77 HE1 MET 77 -3.833 7.736 -5.159 583 HE2 MET 77 HE2 MET 77 -4.235 8.735 -6.556 584 HE3 MET 77 HE3 MET 77 -5.283 8.741 -5.137 585 H ASN 78 H ASN 78 -7.772 9.104 -1.117 586 HA ASN 78 HA ASN 78 -8.742 11.714 -0.352 587 HB2 ASN 78 HB2 ASN 78 -10.037 10.203 -1.855 588 HB3 ASN 78 HB3 ASN 78 -10.244 9.087 -0.509 589 HD21 ASN 78 HD21 ASN 78 -12.450 9.220 -0.407 590 HD22 ASN 78 HD22 ASN 78 -13.287 10.654 0.071 591 H ASN 79 H ASN 79 -7.376 9.190 1.308 592 HA ASN 79 HA ASN 79 -7.444 8.279 3.379 593 HB2 ASN 79 HB2 ASN 79 -7.072 10.858 3.822 594 HB3 ASN 79 HB3 ASN 79 -8.709 10.780 4.465 595 HD21 ASN 79 HD21 ASN 79 -8.401 8.054 5.468 596 HD22 ASN 79 HD22 ASN 79 -7.382 8.164 6.863 597 H ASP 80 H ASP 80 -9.246 7.274 2.005 598 HA ASP 80 HA ASP 80 -11.965 7.940 2.736 599 HB2 ASP 80 HB2 ASP 80 -10.981 7.193 0.417 600 HB3 ASP 80 HB3 ASP 80 -11.171 5.571 1.071 601 H GLY 81 H GLY 81 -9.537 5.569 3.491 602 HA2 GLY 81 HA2 GLY 81 -9.556 4.091 5.311 603 HA3 GLY 81 HA3 GLY 81 -11.271 4.418 5.533 604 H ARG 82 H ARG 82 -10.317 3.735 2.356 605 HA ARG 82 HA ARG 82 -11.628 1.120 2.529 606 HB2 ARG 82 HB2 ARG 82 -11.270 3.096 0.297 607 HB3 ARG 82 HB3 ARG 82 -11.672 1.421 -0.041 608 HG2 ARG 82 HG2 ARG 82 -13.724 1.620 1.219 609 HG3 ARG 82 HG3 ARG 82 -13.307 3.276 1.670 610 HD2 ARG 82 HD2 ARG 82 -14.934 3.060 -0.236 611 HD3 ARG 82 HD3 ARG 82 -13.502 4.030 -0.572 612 HE ARG 82 HE ARG 82 -12.635 2.183 -1.858 613 HH11 ARG 82 HH11 ARG 82 -16.001 1.949 -0.949 614 HH12 ARG 82 HH12 ARG 82 -16.411 0.859 -2.235 615 HH21 ARG 82 HH21 ARG 82 -13.172 0.777 -3.596 616 HH22 ARG 82 HH22 ARG 82 -14.814 0.219 -3.754 617 H MET 83 H MET 83 -8.743 2.709 1.352 618 HA MET 83 HA MET 83 -7.063 2.050 -0.020 619 HB2 MET 83 HB2 MET 83 -6.301 0.957 2.012 620 HB3 MET 83 HB3 MET 83 -7.288 -0.453 1.655 621 HG2 MET 83 HG2 MET 83 -5.950 -1.039 -0.204 622 HG3 MET 83 HG3 MET 83 -5.106 0.507 -0.164 623 HE1 MET 83 HE1 MET 83 -4.563 0.919 2.911 624 HE2 MET 83 HE2 MET 83 -3.367 1.204 1.647 625 HE3 MET 83 HE3 MET 83 -2.950 0.221 3.050 626 H ASP 84 H ASP 84 -8.471 2.130 -1.809 627 HA ASP 84 HA ASP 84 -9.808 -0.204 -2.778 628 HB2 ASP 84 HB2 ASP 84 -10.426 2.216 -3.282 629 HB3 ASP 84 HB3 ASP 84 -9.053 2.252 -4.378 630 H GLN 85 H GLN 85 -9.237 -0.807 -5.214 631 HA GLN 85 HA GLN 85 -6.771 -2.175 -5.091 632 HB2 GLN 85 HB2 GLN 85 -8.541 -1.569 -7.472 633 HB3 GLN 85 HB3 GLN 85 -7.157 -2.646 -7.523 634 HG2 GLN 85 HG2 GLN 85 -9.054 -4.018 -7.332 635 HG3 GLN 85 HG3 GLN 85 -8.294 -4.016 -5.744 636 HE21 GLN 85 HE21 GLN 85 -9.359 -3.082 -4.020 637 HE22 GLN 85 HE22 GLN 85 -11.011 -2.577 -4.102 638 H VAL 86 H VAL 86 -7.677 0.926 -6.439 639 HA VAL 86 HA VAL 86 -5.196 1.364 -7.794 640 HB VAL 86 HB VAL 86 -7.160 3.447 -6.828 641 HG11 VAL 86 HG11 VAL 86 -4.988 4.355 -7.440 642 HG12 VAL 86 HG12 VAL 86 -6.211 4.824 -8.619 643 HG13 VAL 86 HG13 VAL 86 -5.068 3.536 -8.999 644 HG21 VAL 86 HG21 VAL 86 -8.158 3.334 -9.057 645 HG22 VAL 86 HG22 VAL 86 -8.287 1.784 -8.224 646 HG23 VAL 86 HG23 VAL 86 -7.072 2.010 -9.481 647 H GLU 87 H GLU 87 -6.543 2.377 -4.670 648 HA GLU 87 HA GLU 87 -4.298 3.886 -3.857 649 HB2 GLU 87 HB2 GLU 87 -6.128 2.489 -1.923 650 HB3 GLU 87 HB3 GLU 87 -5.323 4.039 -1.743 651 HG2 GLU 87 HG2 GLU 87 -7.669 3.422 -3.527 652 HG3 GLU 87 HG3 GLU 87 -7.685 4.366 -2.040 653 H PHE 88 H PHE 88 -5.255 0.534 -3.392 654 HA PHE 88 HA PHE 88 -3.072 -0.297 -1.811 655 HB2 PHE 88 HB2 PHE 88 -5.186 -1.580 -2.153 656 HB3 PHE 88 HB3 PHE 88 -4.687 -1.906 -3.807 657 HD1 PHE 88 HD1 PHE 88 -4.074 -2.653 -0.281 658 HD2 PHE 88 HD2 PHE 88 -2.987 -3.549 -4.296 659 HE1 PHE 88 HE1 PHE 88 -2.896 -4.672 0.492 660 HE2 PHE 88 HE2 PHE 88 -1.807 -5.569 -3.531 661 HZ PHE 88 HZ PHE 88 -1.761 -6.132 -1.134 662 H SER 89 H SER 89 -3.464 0.282 -5.216 663 HA SER 89 HA SER 89 -1.332 -1.308 -6.156 664 HB2 SER 89 HB2 SER 89 -3.224 -0.354 -7.549 665 HB3 SER 89 HB3 SER 89 -2.389 1.195 -7.483 666 HG SER 89 HG SER 89 -0.587 0.170 -8.474 667 H ILE 90 H ILE 90 -1.524 1.962 -4.909 668 HA ILE 90 HA ILE 90 1.252 2.490 -5.618 669 HB ILE 90 HB ILE 90 -0.432 4.260 -5.960 670 HG12 ILE 90 HG12 ILE 90 1.564 5.004 -3.822 671 HG13 ILE 90 HG13 ILE 90 1.945 4.829 -5.532 672 HG21 ILE 90 HG21 ILE 90 -0.691 4.256 -2.959 673 HG22 ILE 90 HG22 ILE 90 -1.930 3.774 -4.118 674 HG23 ILE 90 HG23 ILE 90 -1.390 5.453 -4.049 675 HD11 ILE 90 HD11 ILE 90 0.402 6.648 -6.051 676 HD12 ILE 90 HD12 ILE 90 1.672 7.157 -4.940 677 HD13 ILE 90 HD13 ILE 90 0.049 6.833 -4.334 678 H ALA 91 H ALA 91 -0.654 1.489 -2.939 679 HA ALA 91 HA ALA 91 1.276 2.247 -0.928 680 HB1 ALA 91 HB1 ALA 91 -1.124 2.287 -0.447 681 HB2 ALA 91 HB2 ALA 91 -0.247 1.218 0.648 682 HB3 ALA 91 HB3 ALA 91 -1.189 0.539 -0.677 683 H MET 92 H MET 92 0.655 -0.512 -2.904 684 HA MET 92 HA MET 92 1.517 -2.576 -1.263 685 HB2 MET 92 HB2 MET 92 2.017 -3.839 -3.307 686 HB3 MET 92 HB3 MET 92 0.461 -3.029 -3.393 687 HG2 MET 92 HG2 MET 92 1.194 -1.498 -4.963 688 HG3 MET 92 HG3 MET 92 2.890 -1.735 -4.546 689 HE1 MET 92 HE1 MET 92 4.357 -3.737 -5.329 690 HE2 MET 92 HE2 MET 92 3.714 -5.168 -6.137 691 HE3 MET 92 HE3 MET 92 3.250 -4.810 -4.474 692 H LYS 93 H LYS 93 3.477 -0.371 -3.252 693 HA LYS 93 HA LYS 93 5.849 -1.809 -2.375 694 HB2 LYS 93 HB2 LYS 93 7.129 -0.352 -3.866 695 HB3 LYS 93 HB3 LYS 93 5.839 -1.189 -4.707 696 HG2 LYS 93 HG2 LYS 93 4.584 0.768 -4.958 697 HG3 LYS 93 HG3 LYS 93 5.522 1.629 -3.734 698 HD2 LYS 93 HD2 LYS 93 6.091 2.320 -6.047 699 HD3 LYS 93 HD3 LYS 93 7.467 1.646 -5.171 700 HE2 LYS 93 HE2 LYS 93 6.761 -0.586 -6.279 701 HE3 LYS 93 HE3 LYS 93 5.862 0.441 -7.395 702 HZ1 LYS 93 HZ1 LYS 93 8.777 0.665 -6.852 703 HZ2 LYS 93 HZ2 LYS 93 7.901 1.552 -8.002 704 HZ3 LYS 93 HZ3 LYS 93 8.102 -0.119 -8.189 705 H LEU 94 H LEU 94 3.958 0.652 -1.172 706 HA LEU 94 HA LEU 94 5.976 2.259 0.001 707 HB2 LEU 94 HB2 LEU 94 3.122 2.085 0.165 708 HB3 LEU 94 HB3 LEU 94 3.784 2.104 1.785 709 HG LEU 94 HG LEU 94 5.072 4.147 1.182 710 HD11 LEU 94 HD11 LEU 94 5.111 3.854 -1.233 711 HD12 LEU 94 HD12 LEU 94 4.396 5.408 -0.803 712 HD13 LEU 94 HD13 LEU 94 3.361 4.070 -1.303 713 HD21 LEU 94 HD21 LEU 94 2.070 4.304 0.918 714 HD22 LEU 94 HD22 LEU 94 3.136 5.653 1.309 715 HD23 LEU 94 HD23 LEU 94 2.989 4.294 2.424 716 H ILE 95 H ILE 95 4.138 -0.545 1.153 717 HA ILE 95 HA ILE 95 5.493 -0.846 3.610 718 HB ILE 95 HB ILE 95 4.318 -3.105 1.980 719 HG12 ILE 95 HG12 ILE 95 2.857 -1.226 3.851 720 HG13 ILE 95 HG13 ILE 95 2.725 -1.207 2.097 721 HG21 ILE 95 HG21 ILE 95 4.609 -2.680 4.953 722 HG22 ILE 95 HG22 ILE 95 5.563 -3.777 3.956 723 HG23 ILE 95 HG23 ILE 95 3.839 -4.070 4.186 724 HD11 ILE 95 HD11 ILE 95 1.778 -3.450 2.140 725 HD12 ILE 95 HD12 ILE 95 0.829 -2.324 3.111 726 HD13 ILE 95 HD13 ILE 95 1.909 -3.473 3.899 727 H LYS 96 H LYS 96 6.027 -2.073 0.389 728 HA LYS 96 HA LYS 96 8.124 -3.838 0.762 729 HB2 LYS 96 HB2 LYS 96 6.969 -3.654 -1.327 730 HB3 LYS 96 HB3 LYS 96 7.415 -1.968 -1.494 731 HG2 LYS 96 HG2 LYS 96 9.720 -2.585 -1.898 732 HG3 LYS 96 HG3 LYS 96 9.328 -4.290 -1.634 733 HD2 LYS 96 HD2 LYS 96 7.860 -4.300 -3.540 734 HD3 LYS 96 HD3 LYS 96 8.054 -2.562 -3.753 735 HE2 LYS 96 HE2 LYS 96 10.394 -2.866 -4.316 736 HE3 LYS 96 HE3 LYS 96 10.262 -4.600 -4.016 737 HZ1 LYS 96 HZ1 LYS 96 8.515 -3.302 -6.022 738 HZ2 LYS 96 HZ2 LYS 96 9.019 -4.919 -5.921 739 HZ3 LYS 96 HZ3 LYS 96 10.109 -3.728 -6.421 740 H LEU 97 H LEU 97 8.208 -0.317 0.300 741 HA LEU 97 HA LEU 97 11.083 -0.295 0.675 742 HB2 LEU 97 HB2 LEU 97 9.053 1.738 -0.109 743 HB3 LEU 97 HB3 LEU 97 10.580 2.291 0.554 744 HG LEU 97 HG LEU 97 11.781 1.055 -1.223 745 HD11 LEU 97 HD11 LEU 97 9.025 0.514 -2.308 746 HD12 LEU 97 HD12 LEU 97 10.156 -0.685 -1.681 747 HD13 LEU 97 HD13 LEU 97 10.542 0.207 -3.154 748 HD21 LEU 97 HD21 LEU 97 11.271 3.408 -1.524 749 HD22 LEU 97 HD22 LEU 97 9.704 2.991 -2.221 750 HD23 LEU 97 HD23 LEU 97 11.189 2.548 -3.063 751 H LYS 98 H LYS 98 8.282 0.112 2.645 752 HA LYS 98 HA LYS 98 9.295 1.609 4.779 753 HB2 LYS 98 HB2 LYS 98 7.371 -0.707 4.683 754 HB3 LYS 98 HB3 LYS 98 7.802 0.059 6.199 755 HG2 LYS 98 HG2 LYS 98 6.813 1.791 4.004 756 HG3 LYS 98 HG3 LYS 98 5.657 0.742 4.825 757 HD2 LYS 98 HD2 LYS 98 5.561 2.735 6.034 758 HD3 LYS 98 HD3 LYS 98 6.622 1.707 6.998 759 HE2 LYS 98 HE2 LYS 98 7.588 3.888 6.890 760 HE3 LYS 98 HE3 LYS 98 8.567 2.807 5.899 761 HZ1 LYS 98 HZ1 LYS 98 8.311 4.677 4.593 762 HZ2 LYS 98 HZ2 LYS 98 6.694 4.916 5.037 763 HZ3 LYS 98 HZ3 LYS 98 7.109 3.649 3.992 764 H LEU 99 H LEU 99 9.444 -1.876 4.172 765 HA LEU 99 HA LEU 99 11.039 -2.463 6.454 766 HB2 LEU 99 HB2 LEU 99 10.354 -4.000 3.961 767 HB3 LEU 99 HB3 LEU 99 11.395 -4.663 5.204 768 HG LEU 99 HG LEU 99 8.564 -3.746 5.697 769 HD11 LEU 99 HD11 LEU 99 8.561 -5.594 4.123 770 HD12 LEU 99 HD12 LEU 99 7.982 -6.124 5.702 771 HD13 LEU 99 HD13 LEU 99 9.620 -6.523 5.183 772 HD21 LEU 99 HD21 LEU 99 9.942 -3.744 7.682 773 HD22 LEU 99 HD22 LEU 99 10.503 -5.379 7.329 774 HD23 LEU 99 HD23 LEU 99 8.812 -5.096 7.742 775 H GLN 100 H GLN 100 11.735 -1.299 3.302 776 HA GLN 100 HA GLN 100 14.477 -2.216 3.275 777 HB2 GLN 100 HB2 GLN 100 13.062 -1.959 1.209 778 HB3 GLN 100 HB3 GLN 100 13.148 -0.217 1.439 779 HG2 GLN 100 HG2 GLN 100 14.767 -0.890 -0.201 780 HG3 GLN 100 HG3 GLN 100 15.600 -0.340 1.251 781 HE21 GLN 100 HE21 GLN 100 14.787 -3.076 -0.720 782 HE22 GLN 100 HE22 GLN 100 15.917 -4.180 -0.020 783 H GLY 101 H GLY 101 12.709 0.659 4.168 784 HA2 GLY 101 HA2 GLY 101 13.786 1.934 5.972 785 HA3 GLY 101 HA3 GLY 101 15.276 1.826 5.052 786 H TYR 102 H TYR 102 12.058 2.625 3.787 787 HA TYR 102 HA TYR 102 12.896 5.444 3.595 788 HB2 TYR 102 HB2 TYR 102 11.170 4.024 1.564 789 HB3 TYR 102 HB3 TYR 102 11.790 5.660 1.469 790 HD1 TYR 102 HD2 TYR 102 14.118 6.082 0.869 791 HD2 TYR 102 HD1 TYR 102 12.575 2.125 1.026 792 HE1 TYR 102 HE2 TYR 102 16.065 5.277 -0.402 793 HE2 TYR 102 HE1 TYR 102 14.510 1.311 -0.246 794 HH TYR 102 HH TYR 102 17.298 3.175 -0.758 795 H GLN 103 H GLN 103 11.134 6.965 3.855 796 HA GLN 103 HA GLN 103 8.836 5.684 5.175 797 HB2 GLN 103 HB2 GLN 103 8.701 7.576 6.728 798 HB3 GLN 103 HB3 GLN 103 10.233 6.727 6.853 799 HG2 GLN 103 HG2 GLN 103 11.412 8.468 5.839 800 HG3 GLN 103 HG3 GLN 103 9.944 9.205 5.194 801 HE21 GLN 103 HE21 GLN 103 8.594 10.362 6.578 802 HE22 GLN 103 HE22 GLN 103 9.159 10.976 8.093 803 H LEU 104 H LEU 104 9.792 8.711 3.549 804 HA LEU 104 HA LEU 104 8.621 10.281 2.420 805 HB2 LEU 104 HB2 LEU 104 6.672 8.018 2.062 806 HB3 LEU 104 HB3 LEU 104 6.390 9.618 1.404 807 HG LEU 104 HG LEU 104 8.610 7.714 0.671 808 HD11 LEU 104 HD11 LEU 104 6.408 7.256 -0.318 809 HD12 LEU 104 HD12 LEU 104 7.578 7.784 -1.526 810 HD13 LEU 104 HD13 LEU 104 6.353 8.908 -0.938 811 HD21 LEU 104 HD21 LEU 104 9.319 9.439 -0.928 812 HD22 LEU 104 HD22 LEU 104 9.497 9.974 0.743 813 HD23 LEU 104 HD23 LEU 104 8.146 10.556 -0.229 814 HA PRO 105 HA PRO 105 5.640 11.918 5.334 815 HB2 PRO 105 HB2 PRO 105 5.240 14.233 3.745 816 HB3 PRO 105 HB3 PRO 105 6.348 14.064 5.107 817 HG2 PRO 105 HG2 PRO 105 7.083 14.449 2.442 818 HG3 PRO 105 HG3 PRO 105 8.149 13.878 3.736 819 HD2 PRO 105 HD2 PRO 105 6.716 12.326 1.628 820 HD3 PRO 105 HD3 PRO 105 8.314 12.043 2.353 821 H SER 106 H SER 106 3.510 13.518 4.674 822 HA SER 106 HA SER 106 1.651 11.615 3.612 823 HB2 SER 106 HB2 SER 106 0.050 13.616 3.924 824 HB3 SER 106 HB3 SER 106 0.842 12.954 5.351 825 HG SER 106 HG SER 106 2.111 14.680 5.501 826 H ALA 107 H ALA 107 3.712 13.738 2.155 827 HA ALA 107 HA ALA 107 1.995 14.232 -0.146 828 HB1 ALA 107 HB1 ALA 107 3.409 16.066 0.641 829 HB2 ALA 107 HB2 ALA 107 3.820 15.596 -1.009 830 HB3 ALA 107 HB3 ALA 107 4.846 15.089 0.334 831 H LEU 108 H LEU 108 1.729 12.345 -1.240 832 HA LEU 108 HA LEU 108 3.827 10.495 -1.787 833 HB2 LEU 108 HB2 LEU 108 1.049 10.888 -2.848 834 HB3 LEU 108 HB3 LEU 108 2.132 9.747 -3.617 835 HG LEU 108 HG LEU 108 1.206 9.627 -0.741 836 HD11 LEU 108 HD11 LEU 108 -0.026 7.663 -1.468 837 HD12 LEU 108 HD12 LEU 108 0.509 7.934 -3.126 838 HD13 LEU 108 HD13 LEU 108 -0.549 9.104 -2.340 839 HD21 LEU 108 HD21 LEU 108 2.934 7.738 -2.338 840 HD22 LEU 108 HD22 LEU 108 2.309 7.437 -0.716 841 HD23 LEU 108 HD23 LEU 108 3.464 8.743 -0.988 842 HA PRO 109 HA PRO 109 5.726 12.525 -5.255 843 HB2 PRO 109 HB2 PRO 109 6.386 9.848 -6.280 844 HB3 PRO 109 HB3 PRO 109 7.465 11.135 -5.743 845 HG2 PRO 109 HG2 PRO 109 7.131 8.888 -4.313 846 HG3 PRO 109 HG3 PRO 109 7.391 10.463 -3.535 847 HD2 PRO 109 HD2 PRO 109 4.837 8.942 -3.936 848 HD3 PRO 109 HD3 PRO 109 5.403 9.837 -2.508 849 HA PRO 110 HA PRO 110 2.735 12.285 -8.489 850 HB2 PRO 110 HB2 PRO 110 4.716 13.287 -10.392 851 HB3 PRO 110 HB3 PRO 110 3.291 14.094 -9.731 852 HG2 PRO 110 HG2 PRO 110 5.810 14.827 -9.070 853 HG3 PRO 110 HG3 PRO 110 4.447 14.964 -7.944 854 HD2 PRO 110 HD2 PRO 110 6.578 12.864 -8.091 855 HD3 PRO 110 HD3 PRO 110 5.884 13.665 -6.664 856 H VAL 111 H VAL 111 5.747 10.677 -8.758 857 HA VAL 111 HA VAL 111 5.327 9.563 -11.375 858 HB VAL 111 HB VAL 111 7.330 8.605 -9.329 859 HG11 VAL 111 HG11 VAL 111 7.374 8.614 -12.344 860 HG12 VAL 111 HG12 VAL 111 7.060 7.214 -11.318 861 HG13 VAL 111 HG13 VAL 111 8.642 7.990 -11.288 862 HG21 VAL 111 HG21 VAL 111 7.556 11.015 -9.484 863 HG22 VAL 111 HG22 VAL 111 7.611 10.918 -11.245 864 HG23 VAL 111 HG23 VAL 111 8.915 10.225 -10.282 865 H MET 112 H MET 112 4.393 8.786 -8.202 866 HA MET 112 HA MET 112 4.016 5.951 -8.755 867 HB2 MET 112 HB2 MET 112 3.353 7.519 -6.260 868 HB3 MET 112 HB3 MET 112 3.359 5.771 -6.421 869 HG2 MET 112 HG2 MET 112 5.788 5.875 -6.894 870 HG3 MET 112 HG3 MET 112 5.733 7.604 -6.563 871 HE1 MET 112 HE1 MET 112 5.388 4.000 -5.099 872 HE2 MET 112 HE2 MET 112 3.789 4.678 -4.798 873 HE3 MET 112 HE3 MET 112 4.867 4.322 -3.447 874 H LYS 113 H LYS 113 2.296 8.879 -8.879 875 HA LYS 113 HA LYS 113 -0.293 7.894 -8.171 876 HB2 LYS 113 HB2 LYS 113 0.272 10.379 -9.768 877 HB3 LYS 113 HB3 LYS 113 -1.082 10.059 -8.691 878 HG2 LYS 113 HG2 LYS 113 0.566 9.991 -6.802 879 HG3 LYS 113 HG3 LYS 113 1.780 10.568 -7.946 880 HD2 LYS 113 HD2 LYS 113 0.575 12.574 -8.344 881 HD3 LYS 113 HD3 LYS 113 -0.824 11.971 -7.459 882 HE2 LYS 113 HE2 LYS 113 0.656 11.886 -5.415 883 HE3 LYS 113 HE3 LYS 113 1.874 12.743 -6.355 884 HZ1 LYS 113 HZ1 LYS 113 0.117 14.485 -6.724 885 HZ2 LYS 113 HZ2 LYS 113 0.715 14.364 -5.145 886 HZ3 LYS 113 HZ3 LYS 113 -0.802 13.710 -5.529 887 H GLN 114 H GLN 114 1.503 8.281 -11.110 888 HA GLN 114 HA GLN 114 -0.503 8.253 -13.015 889 HB2 GLN 114 HB2 GLN 114 1.160 7.352 -14.586 890 HB3 GLN 114 HB3 GLN 114 1.785 8.683 -13.634 891 HG2 GLN 114 HG2 GLN 114 2.981 7.130 -12.205 892 HG3 GLN 114 HG3 GLN 114 2.303 5.770 -13.095 893 HE21 GLN 114 HE21 GLN 114 4.292 4.987 -13.709 894 HE22 GLN 114 HE22 GLN 114 5.287 5.775 -14.881 895 H GLN 115 H GLN 115 -1.422 6.708 -14.291 896 HA GLN 115 HA GLN 115 -1.307 3.936 -13.337 897 HB2 GLN 115 HB2 GLN 115 -3.342 4.857 -12.420 898 HB3 GLN 115 HB3 GLN 115 -3.798 5.522 -13.979 899 HG2 GLN 115 HG2 GLN 115 -5.121 3.578 -13.501 900 HG3 GLN 115 HG3 GLN 115 -4.048 3.243 -14.858 901 HE21 GLN 115 HE21 GLN 115 -4.728 2.591 -11.514 902 HE22 GLN 115 HE22 GLN 115 -3.729 1.191 -11.375 903 HA PRO 116 HA PRO 116 -2.024 3.841 -18.029 904 HB2 PRO 116 HB2 PRO 116 -2.781 6.005 -19.400 905 HB3 PRO 116 HB3 PRO 116 -3.957 5.042 -18.498 906 HG2 PRO 116 HG2 PRO 116 -2.709 7.659 -17.792 907 HG3 PRO 116 HG3 PRO 116 -4.368 7.096 -17.522 908 HD2 PRO 116 HD2 PRO 116 -2.331 7.099 -15.621 909 HD3 PRO 116 HD3 PRO 116 -3.822 6.145 -15.530 910 H VAL 117 H VAL 117 -0.501 4.096 -19.713 911 HA VAL 117 HA VAL 117 1.858 5.582 -18.970 912 HB VAL 117 HB VAL 117 2.901 4.582 -20.970 913 HG11 VAL 117 HG11 VAL 117 2.826 2.251 -20.206 914 HG12 VAL 117 HG12 VAL 117 1.406 2.624 -19.228 915 HG13 VAL 117 HG13 VAL 117 2.954 3.382 -18.858 916 HG21 VAL 117 HG21 VAL 117 0.977 4.491 -22.452 917 HG22 VAL 117 HG22 VAL 117 0.196 3.310 -21.401 918 HG23 VAL 117 HG23 VAL 117 1.675 2.883 -22.260 919 H ALA 118 H ALA 118 2.726 7.337 -20.003 920 HA ALA 118 HA ALA 118 0.831 8.886 -21.579 921 HB1 ALA 118 HB1 ALA 118 1.926 9.894 -19.603 922 HB2 ALA 118 HB2 ALA 118 2.224 10.792 -21.090 923 HB3 ALA 118 HB3 ALA 118 3.480 9.747 -20.425 924 H ILE 119 H ILE 119 4.380 8.677 -21.758 925 HA ILE 119 HA ILE 119 4.155 8.825 -24.679 926 HB ILE 119 HB ILE 119 6.603 9.185 -22.931 927 HG12 ILE 119 HG12 ILE 119 4.871 11.258 -24.303 928 HG13 ILE 119 HG13 ILE 119 4.899 10.943 -22.571 929 HG21 ILE 119 HG21 ILE 119 6.169 9.750 -25.865 930 HG22 ILE 119 HG22 ILE 119 7.156 8.453 -25.191 931 HG23 ILE 119 HG23 ILE 119 7.626 10.137 -24.952 932 HD11 ILE 119 HD11 ILE 119 7.200 11.970 -24.218 933 HD12 ILE 119 HD12 ILE 119 7.236 11.652 -22.483 934 HD13 ILE 119 HD13 ILE 119 6.193 12.920 -23.126 935 H SER 120 H SER 120 5.728 6.982 -22.109 936 HA SER 120 HA SER 120 5.608 4.591 -23.759 937 HB2 SER 120 HB2 SER 120 8.213 5.545 -22.530 938 HB3 SER 120 HB3 SER 120 7.967 4.014 -23.367 939 HG SER 120 HG SER 120 7.104 5.936 -24.968 940 H SER 121 H SER 121 7.049 5.781 -20.741 941 HA SER 121 HA SER 121 5.109 4.615 -19.072 942 HB2 SER 121 HB2 SER 121 6.362 2.528 -19.759 943 HB3 SER 121 HB3 SER 121 7.799 3.212 -19.008 944 HG SER 121 HG SER 121 6.146 3.406 -17.119 Start of MODEL 14 1 H1 MET 1 H1 MET 1 30.239 -39.288 28.682 2 H2 MET 1 H2 MET 1 30.871 -38.630 27.255 3 H3 MET 1 H3 MET 1 30.132 -40.157 27.229 4 HA MET 1 HA MET 1 28.016 -39.189 27.787 5 HB2 MET 1 HB2 MET 1 29.514 -36.569 27.558 6 HB3 MET 1 HB3 MET 1 27.772 -36.731 27.726 7 HG2 MET 1 HG2 MET 1 28.067 -37.747 29.916 8 HG3 MET 1 HG3 MET 1 29.817 -37.622 29.745 9 HE1 MET 1 HE1 MET 1 30.070 -36.379 32.017 10 HE2 MET 1 HE2 MET 1 28.332 -36.516 32.289 11 HE3 MET 1 HE3 MET 1 29.135 -34.957 32.482 12 H GLY 2 H GLY 2 26.721 -39.188 26.071 13 HA2 GLY 2 HA2 GLY 2 27.861 -38.310 23.494 14 HA3 GLY 2 HA3 GLY 2 27.042 -39.860 23.646 15 H HIS 3 H HIS 3 25.239 -39.663 22.520 16 HA HIS 3 HA HIS 3 23.171 -39.018 21.883 17 HB2 HIS 3 HB2 HIS 3 23.297 -37.776 24.607 18 HB3 HIS 3 HB3 HIS 3 21.925 -37.443 23.554 19 HD1 HIS 3 HD1 HIS 3 22.649 -39.509 26.240 20 HD2 HIS 3 HD2 HIS 3 21.036 -40.241 22.474 21 HE1 HIS 3 HE1 HIS 3 21.405 -41.687 26.442 22 HE2 HIS 3 HE2 HIS 3 20.344 -42.052 24.182 23 H HIS 4 H HIS 4 25.418 -37.552 20.909 24 HA HIS 4 HA HIS 4 24.465 -34.834 20.610 25 HB2 HIS 4 HB2 HIS 4 26.895 -35.336 20.549 26 HB3 HIS 4 HB3 HIS 4 26.645 -36.290 19.091 27 HD1 HIS 4 HD1 HIS 4 26.576 -35.059 16.891 28 HD2 HIS 4 HD2 HIS 4 26.501 -32.508 20.178 29 HE1 HIS 4 HE1 HIS 4 26.849 -32.740 15.961 30 HE2 HIS 4 HE2 HIS 4 26.572 -31.206 17.941 31 H HIS 5 H HIS 5 22.729 -34.460 19.418 32 HA HIS 5 HA HIS 5 22.352 -36.023 16.953 33 HB2 HIS 5 HB2 HIS 5 19.880 -35.936 17.383 34 HB3 HIS 5 HB3 HIS 5 20.779 -36.949 18.504 35 HD1 HIS 5 HD1 HIS 5 18.674 -33.880 18.329 36 HD2 HIS 5 HD2 HIS 5 20.898 -35.979 21.154 37 HE1 HIS 5 HE1 HIS 5 17.987 -32.954 20.563 38 HE2 HIS 5 HE2 HIS 5 19.247 -34.327 22.263 39 H HIS 6 H HIS 6 21.349 -34.995 15.246 40 HA HIS 6 HA HIS 6 20.703 -32.166 15.499 41 HB2 HIS 6 HB2 HIS 6 22.155 -31.624 13.507 42 HB3 HIS 6 HB3 HIS 6 23.030 -31.986 14.987 43 HD1 HIS 6 HD1 HIS 6 22.697 -32.987 11.483 44 HD2 HIS 6 HD2 HIS 6 24.307 -34.584 14.966 45 HE1 HIS 6 HE1 HIS 6 24.200 -34.861 10.742 46 HE2 HIS 6 HE2 HIS 6 25.352 -35.627 12.845 47 H HIS 7 H HIS 7 18.767 -31.998 14.625 48 HA HIS 7 HA HIS 7 18.178 -33.529 12.172 49 HB2 HIS 7 HB2 HIS 7 16.449 -33.182 14.620 50 HB3 HIS 7 HB3 HIS 7 15.769 -33.605 13.055 51 HD1 HIS 7 HD1 HIS 7 15.326 -36.018 12.911 52 HD2 HIS 7 HD2 HIS 7 18.699 -35.218 15.209 53 HE1 HIS 7 HE1 HIS 7 16.177 -38.258 13.674 54 HE2 HIS 7 HE2 HIS 7 18.347 -37.756 14.851 55 H HIS 8 H HIS 8 17.963 -32.114 10.581 56 HA HIS 8 HA HIS 8 15.804 -30.339 10.481 57 HB2 HIS 8 HB2 HIS 8 16.831 -28.165 10.430 58 HB3 HIS 8 HB3 HIS 8 17.281 -28.932 11.945 59 HD1 HIS 8 HD1 HIS 8 18.671 -27.004 9.307 60 HD2 HIS 8 HD2 HIS 8 20.044 -30.156 11.650 61 HE1 HIS 8 HE1 HIS 8 21.177 -26.938 9.131 62 HE2 HIS 8 HE2 HIS 8 21.988 -28.724 10.713 63 H SER 9 H SER 9 15.396 -29.706 8.373 64 HA SER 9 HA SER 9 17.470 -30.308 6.394 65 HB2 SER 9 HB2 SER 9 14.607 -31.279 6.207 66 HB3 SER 9 HB3 SER 9 15.862 -31.509 4.988 67 HG SER 9 HG SER 9 16.928 -32.408 7.167 68 H HIS 10 H HIS 10 17.785 -28.143 6.007 69 HA HIS 10 HA HIS 10 15.455 -26.629 5.032 70 HB2 HIS 10 HB2 HIS 10 16.652 -25.611 6.942 71 HB3 HIS 10 HB3 HIS 10 18.133 -25.592 5.991 72 HD1 HIS 10 HD1 HIS 10 14.813 -23.871 6.323 73 HD2 HIS 10 HD2 HIS 10 18.330 -23.527 4.128 74 HE1 HIS 10 HE1 HIS 10 14.691 -21.626 5.190 75 HE2 HIS 10 HE2 HIS 10 16.910 -21.363 4.027 76 H MET 11 H MET 11 15.303 -27.001 2.920 77 HA MET 11 HA MET 11 17.663 -26.351 1.284 78 HB2 MET 11 HB2 MET 11 15.499 -28.382 0.702 79 HB3 MET 11 HB3 MET 11 16.667 -27.829 -0.490 80 HG2 MET 11 HG2 MET 11 18.483 -28.687 0.920 81 HG3 MET 11 HG3 MET 11 17.287 -29.281 2.072 82 HE1 MET 11 HE1 MET 11 17.676 -30.850 -2.254 83 HE2 MET 11 HE2 MET 11 18.707 -29.591 -1.573 84 HE3 MET 11 HE3 MET 11 16.996 -29.271 -1.857 85 H ALA 12 H ALA 12 16.909 -24.178 1.434 86 HA ALA 12 HA ALA 12 14.844 -23.570 -0.528 87 HB1 ALA 12 HB1 ALA 12 13.650 -23.623 1.618 88 HB2 ALA 12 HB2 ALA 12 13.704 -21.994 0.947 89 HB3 ALA 12 HB3 ALA 12 14.779 -22.437 2.271 90 H GLN 13 H GLN 13 16.208 -22.600 -1.907 91 HA GLN 13 HA GLN 13 17.547 -20.171 -0.965 92 HB2 GLN 13 HB2 GLN 13 19.292 -21.867 -0.990 93 HB3 GLN 13 HB3 GLN 13 18.858 -22.332 -2.629 94 HG2 GLN 13 HG2 GLN 13 20.831 -21.000 -2.717 95 HG3 GLN 13 HG3 GLN 13 19.500 -20.060 -3.389 96 HE21 GLN 13 HE21 GLN 13 22.009 -19.143 -2.323 97 HE22 GLN 13 HE22 GLN 13 21.635 -18.072 -1.021 98 H PHE 14 H PHE 14 16.457 -18.677 -2.030 99 HA PHE 14 HA PHE 14 16.012 -19.053 -4.906 100 HB2 PHE 14 HB2 PHE 14 14.368 -17.191 -4.710 101 HB3 PHE 14 HB3 PHE 14 13.945 -18.595 -3.740 102 HD1 PHE 14 HD2 PHE 14 14.123 -18.511 -1.295 103 HD2 PHE 14 HD1 PHE 14 14.873 -15.083 -3.703 104 HE1 PHE 14 HE2 PHE 14 13.891 -17.070 0.687 105 HE2 PHE 14 HE1 PHE 14 14.642 -13.639 -1.728 106 HZ PHE 14 HZ PHE 14 14.151 -14.633 0.473 107 HA PRO 15 HA PRO 15 19.266 -16.193 -5.687 108 HB2 PRO 15 HB2 PRO 15 18.512 -15.374 -8.175 109 HB3 PRO 15 HB3 PRO 15 19.271 -16.937 -7.854 110 HG2 PRO 15 HG2 PRO 15 16.373 -16.283 -8.227 111 HG3 PRO 15 HG3 PRO 15 17.307 -17.643 -8.877 112 HD2 PRO 15 HD2 PRO 15 15.701 -17.913 -6.732 113 HD3 PRO 15 HD3 PRO 15 17.221 -18.819 -6.890 114 H THR 16 H THR 16 19.652 -14.063 -5.399 115 HA THR 16 HA THR 16 17.390 -12.364 -4.785 116 HB THR 16 HB THR 16 19.356 -10.716 -4.272 117 HG1 THR 16 HG1 THR 16 21.203 -11.578 -4.858 118 HG21 THR 16 HG21 THR 16 19.649 -11.745 -2.055 119 HG22 THR 16 HG22 THR 16 18.917 -13.233 -2.656 120 HG23 THR 16 HG23 THR 16 17.960 -11.754 -2.557 121 HA PRO 17 HA PRO 17 17.680 -10.294 -8.721 122 HB2 PRO 17 HB2 PRO 17 15.430 -8.715 -8.167 123 HB3 PRO 17 HB3 PRO 17 15.425 -10.307 -8.927 124 HG2 PRO 17 HG2 PRO 17 14.364 -9.645 -6.397 125 HG3 PRO 17 HG3 PRO 17 14.588 -11.271 -7.063 126 HD2 PRO 17 HD2 PRO 17 16.292 -9.754 -5.149 127 HD3 PRO 17 HD3 PRO 17 16.005 -11.502 -5.274 128 H PHE 18 H PHE 18 16.979 -7.789 -9.273 129 HA PHE 18 HA PHE 18 18.307 -5.992 -7.391 130 HB2 PHE 18 HB2 PHE 18 19.664 -4.990 -9.183 131 HB3 PHE 18 HB3 PHE 18 20.066 -6.686 -8.949 132 HD1 PHE 18 HD1 PHE 18 19.464 -8.346 -10.632 133 HD2 PHE 18 HD2 PHE 18 18.651 -4.210 -11.217 134 HE1 PHE 18 HE1 PHE 18 19.112 -8.756 -13.032 135 HE2 PHE 18 HE2 PHE 18 18.296 -4.615 -13.618 136 HZ PHE 18 HZ PHE 18 18.528 -6.893 -14.528 137 H GLY 19 H GLY 19 18.214 -3.645 -8.600 138 HA2 GLY 19 HA2 GLY 19 16.753 -2.218 -9.908 139 HA3 GLY 19 HA3 GLY 19 15.445 -3.350 -9.590 140 H GLY 20 H GLY 20 17.168 -0.593 -8.461 141 HA2 GLY 20 HA2 GLY 20 15.338 -0.475 -6.156 142 HA3 GLY 20 HA3 GLY 20 17.052 -0.159 -5.944 143 H SER 21 H SER 21 17.841 1.523 -7.730 144 HA SER 21 HA SER 21 16.706 3.945 -6.803 145 HB2 SER 21 HB2 SER 21 18.669 3.595 -9.067 146 HB3 SER 21 HB3 SER 21 18.440 5.031 -8.070 147 HG SER 21 HG SER 21 19.617 4.174 -6.542 148 H LEU 22 H LEU 22 15.524 2.003 -9.129 149 HA LEU 22 HA LEU 22 14.305 4.253 -10.567 150 HB2 LEU 22 HB2 LEU 22 14.364 3.019 -12.635 151 HB3 LEU 22 HB3 LEU 22 15.981 3.192 -11.993 152 HG LEU 22 HG LEU 22 14.385 0.667 -11.616 153 HD11 LEU 22 HD11 LEU 22 16.297 1.331 -13.848 154 HD12 LEU 22 HD12 LEU 22 14.553 1.132 -14.010 155 HD13 LEU 22 HD13 LEU 22 15.559 -0.242 -13.548 156 HD21 LEU 22 HD21 LEU 22 16.335 0.981 -10.153 157 HD22 LEU 22 HD22 LEU 22 17.353 1.228 -11.573 158 HD23 LEU 22 HD23 LEU 22 16.587 -0.336 -11.298 159 H ASP 23 H ASP 23 13.938 1.393 -8.857 160 HA ASP 23 HA ASP 23 11.123 1.147 -9.681 161 HB2 ASP 23 HB2 ASP 23 12.969 -0.908 -8.455 162 HB3 ASP 23 HB3 ASP 23 11.239 -1.147 -8.665 163 H THR 24 H THR 24 12.437 2.957 -7.642 164 HA THR 24 HA THR 24 11.568 2.026 -5.085 165 HB THR 24 HB THR 24 11.804 4.687 -4.719 166 HG1 THR 24 HG1 THR 24 13.477 5.421 -6.121 167 HG21 THR 24 HG21 THR 24 14.151 4.263 -4.103 168 HG22 THR 24 HG22 THR 24 14.086 2.722 -4.958 169 HG23 THR 24 HG23 THR 24 13.081 2.983 -3.532 170 H TRP 25 H TRP 25 10.450 4.733 -7.119 171 HA TRP 25 HA TRP 25 7.896 4.680 -5.678 172 HB2 TRP 25 HB2 TRP 25 9.014 6.748 -7.580 173 HB3 TRP 25 HB3 TRP 25 7.548 6.900 -6.633 174 HD1 TRP 25 HD1 TRP 25 10.918 8.102 -6.594 175 HE1 TRP 25 HE1 TRP 25 11.692 8.800 -4.242 176 HE3 TRP 25 HE3 TRP 25 7.291 5.793 -3.833 177 HZ2 TRP 25 HZ2 TRP 25 10.875 8.412 -1.572 178 HZ3 TRP 25 HZ3 TRP 25 7.361 6.004 -1.386 179 HH2 TRP 25 HH2 TRP 25 9.116 7.284 -0.276 180 H ALA 26 H ALA 26 9.348 3.975 -8.689 181 HA ALA 26 HA ALA 26 7.154 4.441 -10.401 182 HB1 ALA 26 HB1 ALA 26 9.475 4.270 -11.190 183 HB2 ALA 26 HB2 ALA 26 8.388 3.189 -12.063 184 HB3 ALA 26 HB3 ALA 26 9.458 2.547 -10.817 185 H ILE 27 H ILE 27 5.267 3.442 -10.316 186 HA ILE 27 HA ILE 27 5.130 0.619 -9.605 187 HB ILE 27 HB ILE 27 2.871 2.508 -10.298 188 HG12 ILE 27 HG12 ILE 27 3.864 1.558 -7.597 189 HG13 ILE 27 HG13 ILE 27 4.051 3.184 -8.243 190 HG21 ILE 27 HG21 ILE 27 1.429 0.788 -9.296 191 HG22 ILE 27 HG22 ILE 27 2.835 -0.253 -9.074 192 HG23 ILE 27 HG23 ILE 27 2.303 0.172 -10.700 193 HD11 ILE 27 HD11 ILE 27 1.636 3.479 -8.215 194 HD12 ILE 27 HD12 ILE 27 2.250 3.057 -6.616 195 HD13 ILE 27 HD13 ILE 27 1.439 1.838 -7.598 196 H THR 28 H THR 28 6.142 -0.291 -11.338 197 HA THR 28 HA THR 28 5.413 0.282 -14.049 198 HB THR 28 HB THR 28 6.913 -2.191 -13.488 199 HG1 THR 28 HG1 THR 28 8.471 -1.297 -12.315 200 HG21 THR 28 HG21 THR 28 8.479 -1.158 -15.099 201 HG22 THR 28 HG22 THR 28 7.502 0.310 -15.089 202 HG23 THR 28 HG23 THR 28 6.829 -1.193 -15.720 203 H VAL 29 H VAL 29 5.301 -2.066 -15.351 204 HA VAL 29 HA VAL 29 2.622 -2.884 -14.992 205 HB VAL 29 HB VAL 29 4.797 -4.207 -16.629 206 HG11 VAL 29 HG11 VAL 29 1.794 -4.451 -16.812 207 HG12 VAL 29 HG12 VAL 29 2.904 -5.693 -16.231 208 HG13 VAL 29 HG13 VAL 29 2.962 -5.180 -17.916 209 HG21 VAL 29 HG21 VAL 29 3.865 -2.949 -18.506 210 HG22 VAL 29 HG22 VAL 29 4.456 -1.870 -17.243 211 HG23 VAL 29 HG23 VAL 29 2.724 -2.159 -17.417 212 H GLU 30 H GLU 30 5.733 -4.427 -14.200 213 HA GLU 30 HA GLU 30 4.663 -6.821 -13.207 214 HB2 GLU 30 HB2 GLU 30 7.217 -5.349 -12.569 215 HB3 GLU 30 HB3 GLU 30 6.829 -6.927 -11.918 216 HG2 GLU 30 HG2 GLU 30 6.653 -7.797 -14.221 217 HG3 GLU 30 HG3 GLU 30 7.176 -6.221 -14.814 218 H GLU 31 H GLU 31 5.087 -3.660 -11.749 219 HA GLU 31 HA GLU 31 4.467 -4.492 -9.094 220 HB2 GLU 31 HB2 GLU 31 4.086 -1.722 -10.250 221 HB3 GLU 31 HB3 GLU 31 4.308 -2.155 -8.567 222 HG2 GLU 31 HG2 GLU 31 6.376 -2.452 -10.729 223 HG3 GLU 31 HG3 GLU 31 6.310 -1.160 -9.534 224 H ARG 32 H ARG 32 2.631 -3.268 -11.833 225 HA ARG 32 HA ARG 32 0.103 -3.120 -10.601 226 HB2 ARG 32 HB2 ARG 32 0.536 -2.111 -12.772 227 HB3 ARG 32 HB3 ARG 32 0.854 -3.686 -13.479 228 HG2 ARG 32 HG2 ARG 32 -1.428 -4.324 -13.277 229 HG3 ARG 32 HG3 ARG 32 -1.800 -2.912 -12.286 230 HD2 ARG 32 HD2 ARG 32 -0.885 -2.809 -15.157 231 HD3 ARG 32 HD3 ARG 32 -2.566 -2.706 -14.632 232 HE ARG 32 HE ARG 32 -0.785 -0.764 -13.433 233 HH11 ARG 32 HH11 ARG 32 -2.962 -1.455 -16.090 234 HH12 ARG 32 HH12 ARG 32 -3.311 0.217 -16.409 235 HH21 ARG 32 HH21 ARG 32 -1.248 1.427 -13.834 236 HH22 ARG 32 HH22 ARG 32 -2.339 1.867 -15.113 237 H ALA 33 H ALA 33 1.639 -5.722 -12.464 238 HA ALA 33 HA ALA 33 -0.364 -7.653 -12.112 239 HB1 ALA 33 HB1 ALA 33 1.349 -9.294 -12.650 240 HB2 ALA 33 HB2 ALA 33 2.612 -8.100 -12.347 241 HB3 ALA 33 HB3 ALA 33 1.499 -7.883 -13.698 242 H LYS 34 H LYS 34 2.325 -6.680 -10.071 243 HA LYS 34 HA LYS 34 2.216 -8.769 -8.203 244 HB2 LYS 34 HB2 LYS 34 4.130 -7.296 -8.334 245 HB3 LYS 34 HB3 LYS 34 3.143 -5.912 -7.885 246 HG2 LYS 34 HG2 LYS 34 2.732 -6.972 -5.689 247 HG3 LYS 34 HG3 LYS 34 3.831 -8.274 -6.150 248 HD2 LYS 34 HD2 LYS 34 5.670 -6.750 -6.310 249 HD3 LYS 34 HD3 LYS 34 4.603 -5.363 -6.081 250 HE2 LYS 34 HE2 LYS 34 4.045 -6.221 -3.826 251 HE3 LYS 34 HE3 LYS 34 5.213 -7.520 -4.066 252 HZ1 LYS 34 HZ1 LYS 34 6.049 -5.566 -2.791 253 HZ2 LYS 34 HZ2 LYS 34 5.918 -4.643 -4.210 254 HZ3 LYS 34 HZ3 LYS 34 6.981 -5.964 -4.153 255 H HIS 35 H HIS 35 0.621 -5.542 -8.134 256 HA HIS 35 HA HIS 35 -0.422 -5.938 -5.528 257 HB2 HIS 35 HB2 HIS 35 -1.553 -3.942 -5.732 258 HB3 HIS 35 HB3 HIS 35 -0.305 -3.707 -6.939 259 HD1 HIS 35 HD1 HIS 35 -3.990 -4.424 -6.591 260 HD2 HIS 35 HD2 HIS 35 -1.262 -3.323 -9.527 261 HE1 HIS 35 HE1 HIS 35 -5.371 -3.789 -8.586 262 HE2 HIS 35 HE2 HIS 35 -3.694 -3.399 -10.421 263 H ASP 36 H ASP 36 -1.505 -6.785 -8.691 264 HA ASP 36 HA ASP 36 -4.177 -7.447 -8.094 265 HB2 ASP 36 HB2 ASP 36 -3.474 -7.097 -10.375 266 HB3 ASP 36 HB3 ASP 36 -2.327 -8.427 -10.272 267 H GLN 37 H GLN 37 -1.272 -9.501 -8.357 268 HA GLN 37 HA GLN 37 -2.499 -11.932 -7.717 269 HB2 GLN 37 HB2 GLN 37 0.334 -11.030 -7.169 270 HB3 GLN 37 HB3 GLN 37 -0.226 -12.694 -7.077 271 HG2 GLN 37 HG2 GLN 37 -0.781 -12.645 -9.449 272 HG3 GLN 37 HG3 GLN 37 -0.228 -10.973 -9.542 273 HE21 GLN 37 HE21 GLN 37 0.715 -13.354 -10.939 274 HE22 GLN 37 HE22 GLN 37 2.405 -13.484 -10.579 275 H GLN 38 H GLN 38 -1.032 -9.489 -5.642 276 HA GLN 38 HA GLN 38 -1.449 -10.935 -3.226 277 HB2 GLN 38 HB2 GLN 38 -0.424 -8.304 -3.995 278 HB3 GLN 38 HB3 GLN 38 -1.291 -8.296 -2.464 279 HG2 GLN 38 HG2 GLN 38 1.051 -8.653 -2.064 280 HG3 GLN 38 HG3 GLN 38 0.151 -10.109 -1.654 281 HE21 GLN 38 HE21 GLN 38 1.001 -9.111 -4.928 282 HE22 GLN 38 HE22 GLN 38 2.101 -10.413 -5.230 283 H PHE 39 H PHE 39 -3.237 -8.424 -4.934 284 HA PHE 39 HA PHE 39 -5.300 -7.921 -3.138 285 HB2 PHE 39 HB2 PHE 39 -4.866 -6.725 -5.281 286 HB3 PHE 39 HB3 PHE 39 -5.479 -8.119 -6.151 287 HD1 PHE 39 HD1 PHE 39 -6.888 -6.544 -3.091 288 HD2 PHE 39 HD2 PHE 39 -7.304 -7.255 -7.265 289 HE1 PHE 39 HE1 PHE 39 -9.124 -5.519 -3.044 290 HE2 PHE 39 HE2 PHE 39 -9.542 -6.235 -7.221 291 HZ PHE 39 HZ PHE 39 -10.447 -5.339 -5.109 292 H HIS 40 H HIS 40 -5.031 -10.381 -5.642 293 HA HIS 40 HA HIS 40 -7.483 -11.657 -5.273 294 HB2 HIS 40 HB2 HIS 40 -6.094 -12.062 -7.219 295 HB3 HIS 40 HB3 HIS 40 -4.816 -12.732 -6.214 296 HD1 HIS 40 HD1 HIS 40 -4.746 -15.196 -6.221 297 HD2 HIS 40 HD2 HIS 40 -8.580 -13.745 -6.926 298 HE1 HIS 40 HE1 HIS 40 -6.181 -17.226 -6.607 299 HE2 HIS 40 HE2 HIS 40 -8.447 -16.311 -7.235 300 H SER 41 H SER 41 -4.377 -12.176 -3.696 301 HA SER 41 HA SER 41 -5.200 -14.535 -2.326 302 HB2 SER 41 HB2 SER 41 -2.809 -12.752 -1.826 303 HB3 SER 41 HB3 SER 41 -3.017 -14.408 -1.265 304 HG SER 41 HG SER 41 -2.474 -13.442 -3.841 305 H LEU 42 H LEU 42 -5.608 -11.192 -1.688 306 HA LEU 42 HA LEU 42 -5.459 -11.378 1.188 307 HB2 LEU 42 HB2 LEU 42 -6.309 -9.189 -0.689 308 HB3 LEU 42 HB3 LEU 42 -6.416 -9.025 1.051 309 HG LEU 42 HG LEU 42 -3.883 -9.469 -0.521 310 HD11 LEU 42 HD11 LEU 42 -4.918 -7.047 0.944 311 HD12 LEU 42 HD12 LEU 42 -4.851 -7.243 -0.808 312 HD13 LEU 42 HD13 LEU 42 -3.359 -7.183 0.130 313 HD21 LEU 42 HD21 LEU 42 -4.341 -9.053 2.430 314 HD22 LEU 42 HD22 LEU 42 -2.769 -9.055 1.634 315 HD23 LEU 42 HD23 LEU 42 -3.746 -10.523 1.655 316 H LYS 43 H LYS 43 -7.708 -12.544 -0.828 317 HA LYS 43 HA LYS 43 -9.923 -13.068 -0.720 318 HB2 LYS 43 HB2 LYS 43 -9.707 -12.306 2.198 319 HB3 LYS 43 HB3 LYS 43 -10.966 -13.287 1.468 320 HG2 LYS 43 HG2 LYS 43 -9.431 -15.070 1.060 321 HG3 LYS 43 HG3 LYS 43 -8.064 -14.070 1.567 322 HD2 LYS 43 HD2 LYS 43 -8.972 -13.938 3.820 323 HD3 LYS 43 HD3 LYS 43 -10.378 -14.880 3.327 324 HE2 LYS 43 HE2 LYS 43 -8.960 -16.795 2.865 325 HE3 LYS 43 HE3 LYS 43 -7.524 -15.852 3.271 326 HZ1 LYS 43 HZ1 LYS 43 -9.739 -16.407 5.169 327 HZ2 LYS 43 HZ2 LYS 43 -8.250 -15.682 5.523 328 HZ3 LYS 43 HZ3 LYS 43 -8.313 -17.322 5.084 329 HA PRO 44 HA PRO 44 -10.709 -8.453 -0.798 330 HB2 PRO 44 HB2 PRO 44 -11.547 -8.351 -3.395 331 HB3 PRO 44 HB3 PRO 44 -9.865 -8.145 -2.899 332 HG2 PRO 44 HG2 PRO 44 -11.234 -10.547 -4.018 333 HG3 PRO 44 HG3 PRO 44 -9.603 -9.933 -4.340 334 HD2 PRO 44 HD2 PRO 44 -10.092 -12.030 -2.682 335 HD3 PRO 44 HD3 PRO 44 -8.724 -10.922 -2.460 336 H ILE 45 H ILE 45 -12.679 -7.463 -0.593 337 HA ILE 45 HA ILE 45 -14.980 -9.158 -0.314 338 HB ILE 45 HB ILE 45 -14.830 -6.138 -0.153 339 HG12 ILE 45 HG12 ILE 45 -14.633 -8.182 2.072 340 HG13 ILE 45 HG13 ILE 45 -13.273 -7.273 1.422 341 HG21 ILE 45 HG21 ILE 45 -16.870 -6.353 1.191 342 HG22 ILE 45 HG22 ILE 45 -16.856 -8.097 0.927 343 HG23 ILE 45 HG23 ILE 45 -17.094 -7.000 -0.435 344 HD11 ILE 45 HD11 ILE 45 -15.668 -6.087 2.804 345 HD12 ILE 45 HD12 ILE 45 -14.272 -5.198 2.192 346 HD13 ILE 45 HD13 ILE 45 -14.078 -6.341 3.522 347 H SER 46 H SER 46 -15.581 -9.936 -2.267 348 HA SER 46 HA SER 46 -16.552 -10.032 -4.300 349 HB2 SER 46 HB2 SER 46 -17.198 -7.113 -3.812 350 HB3 SER 46 HB3 SER 46 -17.902 -8.116 -5.082 351 HG SER 46 HG SER 46 -18.346 -9.540 -3.035 352 H GLY 47 H GLY 47 -15.189 -6.718 -4.371 353 HA2 GLY 47 HA2 GLY 47 -13.151 -7.617 -6.249 354 HA3 GLY 47 HA3 GLY 47 -14.343 -6.499 -6.892 355 H PHE 48 H PHE 48 -13.573 -6.103 -3.575 356 HA PHE 48 HA PHE 48 -11.469 -4.169 -4.068 357 HB2 PHE 48 HB2 PHE 48 -12.715 -2.342 -2.937 358 HB3 PHE 48 HB3 PHE 48 -13.437 -2.810 -4.469 359 HD1 PHE 48 HD1 PHE 48 -13.811 -2.904 -0.816 360 HD2 PHE 48 HD2 PHE 48 -15.620 -3.793 -4.564 361 HE1 PHE 48 HE1 PHE 48 -15.975 -3.229 0.309 362 HE2 PHE 48 HE2 PHE 48 -17.787 -4.121 -3.446 363 HZ PHE 48 HZ PHE 48 -17.965 -3.838 -1.007 364 H ILE 49 H ILE 49 -10.835 -3.113 -1.889 365 HA ILE 49 HA ILE 49 -11.367 -4.965 0.336 366 HB ILE 49 HB ILE 49 -9.172 -4.711 1.227 367 HG12 ILE 49 HG12 ILE 49 -8.765 -2.361 0.569 368 HG13 ILE 49 HG13 ILE 49 -7.391 -3.403 0.229 369 HG21 ILE 49 HG21 ILE 49 -8.954 -5.327 -1.708 370 HG22 ILE 49 HG22 ILE 49 -9.425 -6.451 -0.434 371 HG23 ILE 49 HG23 ILE 49 -7.792 -5.787 -0.465 372 HD11 ILE 49 HD11 ILE 49 -7.755 -1.800 -1.547 373 HD12 ILE 49 HD12 ILE 49 -9.396 -2.404 -1.778 374 HD13 ILE 49 HD13 ILE 49 -8.016 -3.445 -2.126 375 H THR 50 H THR 50 -10.446 -3.721 2.444 376 HA THR 50 HA THR 50 -11.223 -0.917 2.327 377 HB THR 50 HB THR 50 -12.291 -2.605 4.588 378 HG1 THR 50 HG1 THR 50 -14.319 -2.496 3.155 379 HG21 THR 50 HG21 THR 50 -13.291 -0.073 3.264 380 HG22 THR 50 HG22 THR 50 -12.390 -0.155 4.778 381 HG23 THR 50 HG23 THR 50 -14.006 -0.854 4.674 382 H GLY 51 H GLY 51 -10.989 -0.228 4.958 383 HA2 GLY 51 HA2 GLY 51 -8.262 -0.021 5.367 384 HA3 GLY 51 HA3 GLY 51 -9.477 0.237 6.607 385 H ASP 52 H ASP 52 -10.490 -2.388 6.827 386 HA ASP 52 HA ASP 52 -8.635 -3.546 8.574 387 HB2 ASP 52 HB2 ASP 52 -11.192 -4.485 7.340 388 HB3 ASP 52 HB3 ASP 52 -10.193 -5.622 8.236 389 H GLN 53 H GLN 53 -9.434 -4.324 5.223 390 HA GLN 53 HA GLN 53 -7.804 -6.630 5.060 391 HB2 GLN 53 HB2 GLN 53 -8.605 -4.776 2.807 392 HB3 GLN 53 HB3 GLN 53 -8.059 -6.438 2.649 393 HG2 GLN 53 HG2 GLN 53 -10.630 -5.486 3.892 394 HG3 GLN 53 HG3 GLN 53 -10.438 -6.346 2.364 395 HE21 GLN 53 HE21 GLN 53 -9.962 -8.557 2.395 396 HE22 GLN 53 HE22 GLN 53 -10.181 -9.519 3.814 397 H ALA 54 H ALA 54 -7.261 -3.205 4.454 398 HA ALA 54 HA ALA 54 -4.631 -3.370 3.455 399 HB1 ALA 54 HB1 ALA 54 -5.899 -1.152 5.072 400 HB2 ALA 54 HB2 ALA 54 -5.998 -1.335 3.319 401 HB3 ALA 54 HB3 ALA 54 -4.442 -1.014 4.087 402 H ARG 55 H ARG 55 -5.912 -3.034 6.733 403 HA ARG 55 HA ARG 55 -3.582 -2.754 8.189 404 HB2 ARG 55 HB2 ARG 55 -6.131 -4.216 8.877 405 HB3 ARG 55 HB3 ARG 55 -4.846 -3.929 10.041 406 HG2 ARG 55 HG2 ARG 55 -5.162 -1.580 9.935 407 HG3 ARG 55 HG3 ARG 55 -6.237 -1.724 8.543 408 HD2 ARG 55 HD2 ARG 55 -7.900 -2.835 9.888 409 HD3 ARG 55 HD3 ARG 55 -6.810 -2.869 11.272 410 HE ARG 55 HE ARG 55 -7.008 -0.231 10.688 411 HH11 ARG 55 HH11 ARG 55 -9.437 -2.716 11.202 412 HH12 ARG 55 HH12 ARG 55 -10.525 -1.642 12.025 413 HH21 ARG 55 HH21 ARG 55 -8.478 1.180 11.729 414 HH22 ARG 55 HH22 ARG 55 -9.999 0.567 12.307 415 H ASN 56 H ASN 56 -5.187 -5.790 7.244 416 HA ASN 56 HA ASN 56 -3.293 -7.471 8.486 417 HB2 ASN 56 HB2 ASN 56 -5.486 -8.324 7.929 418 HB3 ASN 56 HB3 ASN 56 -5.208 -8.028 6.215 419 HD21 ASN 56 HD21 ASN 56 -4.261 -9.989 8.968 420 HD22 ASN 56 HD22 ASN 56 -3.609 -11.298 8.040 421 H PHE 57 H PHE 57 -3.575 -6.321 5.135 422 HA PHE 57 HA PHE 57 -1.473 -7.778 4.020 423 HB2 PHE 57 HB2 PHE 57 -3.065 -6.485 2.676 424 HB3 PHE 57 HB3 PHE 57 -2.388 -4.987 3.311 425 HD1 PHE 57 HD2 PHE 57 -1.842 -7.815 1.057 426 HD2 PHE 57 HD1 PHE 57 -0.242 -4.178 2.569 427 HE1 PHE 57 HE2 PHE 57 -0.172 -7.807 -0.743 428 HE2 PHE 57 HE1 PHE 57 1.432 -4.172 0.783 429 HZ PHE 57 HZ PHE 57 1.473 -5.982 -0.885 430 H PHE 58 H PHE 58 -1.411 -4.549 5.506 431 HA PHE 58 HA PHE 58 1.347 -4.129 5.062 432 HB2 PHE 58 HB2 PHE 58 -0.369 -2.896 7.228 433 HB3 PHE 58 HB3 PHE 58 1.168 -2.282 6.644 434 HD1 PHE 58 HD2 PHE 58 0.278 -3.009 3.646 435 HD2 PHE 58 HD1 PHE 58 -1.370 -0.723 6.831 436 HE1 PHE 58 HE2 PHE 58 -0.932 -1.620 2.018 437 HE2 PHE 58 HE1 PHE 58 -2.592 0.663 5.208 438 HZ PHE 58 HZ PHE 58 -2.368 0.219 2.797 439 H PHE 59 H PHE 59 -0.460 -5.404 7.828 440 HA PHE 59 HA PHE 59 1.755 -5.570 9.582 441 HB2 PHE 59 HB2 PHE 59 -0.642 -5.578 10.288 442 HB3 PHE 59 HB3 PHE 59 -0.781 -7.216 9.656 443 HD1 PHE 59 HD1 PHE 59 1.120 -5.165 12.091 444 HD2 PHE 59 HD2 PHE 59 -0.268 -9.041 11.015 445 HE1 PHE 59 HE1 PHE 59 1.915 -6.045 14.248 446 HE2 PHE 59 HE2 PHE 59 0.527 -9.927 13.168 447 HZ PHE 59 HZ PHE 59 1.618 -8.428 14.786 448 H GLN 60 H GLN 60 0.295 -7.851 7.331 449 HA GLN 60 HA GLN 60 1.671 -10.175 8.077 450 HB2 GLN 60 HB2 GLN 60 -0.179 -9.460 6.134 451 HB3 GLN 60 HB3 GLN 60 1.225 -9.948 5.203 452 HG2 GLN 60 HG2 GLN 60 -0.150 -11.615 7.297 453 HG3 GLN 60 HG3 GLN 60 -0.348 -11.784 5.556 454 HE21 GLN 60 HE21 GLN 60 1.703 -12.358 8.275 455 HE22 GLN 60 HE22 GLN 60 2.850 -13.364 7.467 456 H SER 61 H SER 61 2.754 -7.370 6.402 457 HA SER 61 HA SER 61 4.968 -8.653 5.092 458 HB2 SER 61 HB2 SER 61 4.379 -5.715 5.488 459 HB3 SER 61 HB3 SER 61 5.587 -6.390 4.394 460 HG SER 61 HG SER 61 2.771 -6.779 4.261 461 H GLY 62 H GLY 62 4.382 -7.704 8.244 462 HA2 GLY 62 HA2 GLY 62 5.869 -8.071 10.014 463 HA3 GLY 62 HA3 GLY 62 7.205 -8.046 8.872 464 H LEU 63 H LEU 63 4.667 -5.629 9.340 465 HA LEU 63 HA LEU 63 6.749 -3.771 10.294 466 HB2 LEU 63 HB2 LEU 63 4.375 -3.290 8.510 467 HB3 LEU 63 HB3 LEU 63 5.183 -1.980 9.348 468 HG LEU 63 HG LEU 63 6.589 -3.837 7.417 469 HD11 LEU 63 HD11 LEU 63 6.449 -2.006 5.814 470 HD12 LEU 63 HD12 LEU 63 5.470 -1.077 6.948 471 HD13 LEU 63 HD13 LEU 63 4.843 -2.577 6.264 472 HD21 LEU 63 HD21 LEU 63 7.379 -1.162 8.569 473 HD22 LEU 63 HD22 LEU 63 8.328 -2.150 7.457 474 HD23 LEU 63 HD23 LEU 63 8.010 -2.722 9.094 475 HA PRO 64 HA PRO 64 4.374 -3.410 13.995 476 HB2 PRO 64 HB2 PRO 64 5.265 -0.991 14.874 477 HB3 PRO 64 HB3 PRO 64 6.215 -2.478 14.975 478 HG2 PRO 64 HG2 PRO 64 6.378 -0.251 12.997 479 HG3 PRO 64 HG3 PRO 64 7.685 -1.183 13.746 480 HD2 PRO 64 HD2 PRO 64 6.790 -1.629 11.216 481 HD3 PRO 64 HD3 PRO 64 7.490 -2.900 12.238 482 H GLN 65 H GLN 65 2.846 -2.022 15.128 483 HA GLN 65 HA GLN 65 0.687 -1.479 13.497 484 HB2 GLN 65 HB2 GLN 65 0.623 -2.030 15.920 485 HB3 GLN 65 HB3 GLN 65 1.129 -0.384 16.271 486 HG2 GLN 65 HG2 GLN 65 -0.912 0.434 15.145 487 HG3 GLN 65 HG3 GLN 65 -1.425 -1.241 14.937 488 HE21 GLN 65 HE21 GLN 65 -0.951 1.356 17.173 489 HE22 GLN 65 HE22 GLN 65 -1.775 0.628 18.512 490 HA PRO 66 HA PRO 66 1.292 3.327 14.123 491 HB2 PRO 66 HB2 PRO 66 4.222 3.503 14.545 492 HB3 PRO 66 HB3 PRO 66 2.916 4.402 15.326 493 HG2 PRO 66 HG2 PRO 66 4.239 2.490 16.634 494 HG3 PRO 66 HG3 PRO 66 2.493 2.712 16.856 495 HD2 PRO 66 HD2 PRO 66 3.953 0.663 15.234 496 HD3 PRO 66 HD3 PRO 66 2.514 0.475 16.257 497 H VAL 67 H VAL 67 3.855 1.368 12.737 498 HA VAL 67 HA VAL 67 4.504 3.160 10.619 499 HB VAL 67 HB VAL 67 5.076 0.224 11.046 500 HG11 VAL 67 HG11 VAL 67 6.080 2.025 8.844 501 HG12 VAL 67 HG12 VAL 67 5.020 0.627 8.655 502 HG13 VAL 67 HG13 VAL 67 6.684 0.406 9.195 503 HG21 VAL 67 HG21 VAL 67 6.821 2.683 11.205 504 HG22 VAL 67 HG22 VAL 67 7.355 1.021 11.460 505 HG23 VAL 67 HG23 VAL 67 6.202 1.756 12.573 506 H LEU 68 H LEU 68 2.323 0.426 10.990 507 HA LEU 68 HA LEU 68 1.496 0.131 8.326 508 HB2 LEU 68 HB2 LEU 68 -0.232 -0.145 10.786 509 HB3 LEU 68 HB3 LEU 68 -0.490 -0.908 9.235 510 HG LEU 68 HG LEU 68 1.703 -1.523 11.208 511 HD11 LEU 68 HD11 LEU 68 -0.643 -3.134 10.217 512 HD12 LEU 68 HD12 LEU 68 -0.448 -2.444 11.829 513 HD13 LEU 68 HD13 LEU 68 0.629 -3.730 11.281 514 HD21 LEU 68 HD21 LEU 68 2.400 -3.269 9.655 515 HD22 LEU 68 HD22 LEU 68 2.562 -1.666 8.935 516 HD23 LEU 68 HD23 LEU 68 1.211 -2.704 8.482 517 H ALA 69 H ALA 69 0.210 2.070 10.949 518 HA ALA 69 HA ALA 69 -1.882 3.334 9.612 519 HB1 ALA 69 HB1 ALA 69 -1.783 5.006 11.387 520 HB2 ALA 69 HB2 ALA 69 -0.195 4.405 11.868 521 HB3 ALA 69 HB3 ALA 69 -1.616 3.374 12.036 522 H GLN 70 H GLN 70 1.542 4.174 9.836 523 HA GLN 70 HA GLN 70 1.433 6.705 8.669 524 HB2 GLN 70 HB2 GLN 70 3.378 5.623 9.861 525 HB3 GLN 70 HB3 GLN 70 3.663 4.680 8.407 526 HG2 GLN 70 HG2 GLN 70 3.515 7.597 8.054 527 HG3 GLN 70 HG3 GLN 70 4.885 6.983 8.971 528 HE21 GLN 70 HE21 GLN 70 3.312 7.068 5.871 529 HE22 GLN 70 HE22 GLN 70 4.635 6.435 4.956 530 H ILE 71 H ILE 71 1.810 3.484 7.215 531 HA ILE 71 HA ILE 71 2.105 4.427 4.548 532 HB ILE 71 HB ILE 71 1.215 1.746 5.622 533 HG12 ILE 71 HG12 ILE 71 3.779 2.314 4.188 534 HG13 ILE 71 HG13 ILE 71 3.627 2.749 5.883 535 HG21 ILE 71 HG21 ILE 71 1.588 0.864 3.362 536 HG22 ILE 71 HG22 ILE 71 1.875 2.502 2.775 537 HG23 ILE 71 HG23 ILE 71 0.285 2.053 3.389 538 HD11 ILE 71 HD11 ILE 71 3.254 0.003 4.722 539 HD12 ILE 71 HD12 ILE 71 3.104 0.432 6.427 540 HD13 ILE 71 HD13 ILE 71 4.663 0.575 5.615 541 H TRP 72 H TRP 72 -0.666 3.274 6.412 542 HA TRP 72 HA TRP 72 -2.555 3.392 4.342 543 HB2 TRP 72 HB2 TRP 72 -2.934 2.165 6.421 544 HB3 TRP 72 HB3 TRP 72 -2.936 3.669 7.330 545 HD1 TRP 72 HD1 TRP 72 -4.865 3.291 4.026 546 HE1 TRP 72 HE1 TRP 72 -7.373 3.510 4.529 547 HE3 TRP 72 HE3 TRP 72 -4.658 3.396 9.126 548 HZ2 TRP 72 HZ2 TRP 72 -9.054 3.671 6.796 549 HZ3 TRP 72 HZ3 TRP 72 -6.759 3.569 10.387 550 HH2 TRP 72 HH2 TRP 72 -8.914 3.711 9.246 551 H ALA 73 H ALA 73 -1.598 5.821 6.770 552 HA ALA 73 HA ALA 73 -3.640 7.667 6.217 553 HB1 ALA 73 HB1 ALA 73 -2.258 7.746 8.234 554 HB2 ALA 73 HB2 ALA 73 -2.267 9.295 7.393 555 HB3 ALA 73 HB3 ALA 73 -0.867 8.229 7.263 556 H LEU 74 H LEU 74 -0.550 7.120 4.660 557 HA LEU 74 HA LEU 74 -0.776 9.475 3.005 558 HB2 LEU 74 HB2 LEU 74 1.209 7.296 3.386 559 HB3 LEU 74 HB3 LEU 74 1.237 8.200 1.890 560 HG LEU 74 HG LEU 74 1.382 10.288 3.371 561 HD11 LEU 74 HD11 LEU 74 2.376 9.948 5.575 562 HD12 LEU 74 HD12 LEU 74 2.149 8.209 5.400 563 HD13 LEU 74 HD13 LEU 74 0.748 9.278 5.474 564 HD21 LEU 74 HD21 LEU 74 3.634 8.299 3.217 565 HD22 LEU 74 HD22 LEU 74 3.828 10.000 3.637 566 HD23 LEU 74 HD23 LEU 74 3.234 9.549 2.038 567 H ALA 75 H ALA 75 -1.574 6.118 2.823 568 HA ALA 75 HA ALA 75 -1.181 5.682 0.086 569 HB1 ALA 75 HB1 ALA 75 -1.382 3.885 1.748 570 HB2 ALA 75 HB2 ALA 75 -2.465 3.657 0.374 571 HB3 ALA 75 HB3 ALA 75 -3.102 4.246 1.909 572 H ASP 76 H ASP 76 -4.423 5.844 1.666 573 HA ASP 76 HA ASP 76 -5.472 6.543 -0.926 574 HB2 ASP 76 HB2 ASP 76 -7.691 6.431 0.148 575 HB3 ASP 76 HB3 ASP 76 -6.781 4.948 0.295 576 H MET 77 H MET 77 -4.789 8.478 -1.419 577 HA MET 77 HA MET 77 -4.604 10.732 0.202 578 HB2 MET 77 HB2 MET 77 -4.622 11.992 -1.963 579 HB3 MET 77 HB3 MET 77 -3.468 10.672 -1.881 580 HG2 MET 77 HG2 MET 77 -5.194 9.265 -3.077 581 HG3 MET 77 HG3 MET 77 -6.063 10.768 -3.374 582 HE1 MET 77 HE1 MET 77 -2.175 10.245 -3.229 583 HE2 MET 77 HE2 MET 77 -1.803 9.918 -4.922 584 HE3 MET 77 HE3 MET 77 -2.754 8.762 -3.989 585 H ASN 78 H ASN 78 -7.307 9.453 -1.568 586 HA ASN 78 HA ASN 78 -9.066 11.653 -1.229 587 HB2 ASN 78 HB2 ASN 78 -9.514 9.914 -2.881 588 HB3 ASN 78 HB3 ASN 78 -9.640 8.703 -1.616 589 HD21 ASN 78 HD21 ASN 78 -11.535 8.420 -0.584 590 HD22 ASN 78 HD22 ASN 78 -12.979 9.304 -0.938 591 H ASN 79 H ASN 79 -7.749 9.465 0.920 592 HA ASN 79 HA ASN 79 -8.143 8.770 3.032 593 HB2 ASN 79 HB2 ASN 79 -7.647 11.266 3.219 594 HB3 ASN 79 HB3 ASN 79 -9.376 11.482 3.473 595 HD21 ASN 79 HD21 ASN 79 -7.469 8.745 4.598 596 HD22 ASN 79 HD22 ASN 79 -7.634 9.090 6.287 597 H ASP 80 H ASP 80 -9.786 7.349 2.036 598 HA ASP 80 HA ASP 80 -12.509 8.004 2.940 599 HB2 ASP 80 HB2 ASP 80 -12.137 7.384 0.515 600 HB3 ASP 80 HB3 ASP 80 -11.689 5.774 1.065 601 H GLY 81 H GLY 81 -9.759 6.176 3.655 602 HA2 GLY 81 HA2 GLY 81 -9.354 4.602 5.291 603 HA3 GLY 81 HA3 GLY 81 -11.005 4.844 5.855 604 H ARG 82 H ARG 82 -9.962 3.903 2.655 605 HA ARG 82 HA ARG 82 -11.081 1.231 2.967 606 HB2 ARG 82 HB2 ARG 82 -12.980 2.702 2.375 607 HB3 ARG 82 HB3 ARG 82 -12.105 3.236 0.951 608 HG2 ARG 82 HG2 ARG 82 -12.144 0.891 0.122 609 HG3 ARG 82 HG3 ARG 82 -13.179 0.479 1.495 610 HD2 ARG 82 HD2 ARG 82 -14.751 2.267 0.729 611 HD3 ARG 82 HD3 ARG 82 -13.763 2.439 -0.720 612 HE ARG 82 HE ARG 82 -14.506 -0.254 -0.436 613 HH11 ARG 82 HH11 ARG 82 -15.840 2.882 -1.238 614 HH12 ARG 82 HH12 ARG 82 -17.193 2.229 -2.113 615 HH21 ARG 82 HH21 ARG 82 -16.287 -1.123 -1.614 616 HH22 ARG 82 HH22 ARG 82 -17.460 -0.050 -2.316 617 H MET 83 H MET 83 -9.742 3.656 0.875 618 HA MET 83 HA MET 83 -8.365 3.726 -0.876 619 HB2 MET 83 HB2 MET 83 -6.310 2.575 -0.778 620 HB3 MET 83 HB3 MET 83 -6.789 2.884 0.881 621 HG2 MET 83 HG2 MET 83 -7.427 0.589 1.176 622 HG3 MET 83 HG3 MET 83 -7.145 0.251 -0.531 623 HE1 MET 83 HE1 MET 83 -4.892 2.584 1.685 624 HE2 MET 83 HE2 MET 83 -3.754 1.424 2.372 625 HE3 MET 83 HE3 MET 83 -5.453 1.372 2.838 626 H ASP 84 H ASP 84 -9.005 3.437 -2.839 627 HA ASP 84 HA ASP 84 -10.124 0.933 -3.742 628 HB2 ASP 84 HB2 ASP 84 -10.785 3.286 -4.523 629 HB3 ASP 84 HB3 ASP 84 -9.313 3.272 -5.478 630 H GLN 85 H GLN 85 -9.163 0.148 -5.996 631 HA GLN 85 HA GLN 85 -6.704 -1.014 -5.446 632 HB2 GLN 85 HB2 GLN 85 -8.207 -0.667 -8.016 633 HB3 GLN 85 HB3 GLN 85 -6.653 -1.495 -7.960 634 HG2 GLN 85 HG2 GLN 85 -9.253 -2.286 -6.722 635 HG3 GLN 85 HG3 GLN 85 -8.178 -3.222 -7.764 636 HE21 GLN 85 HE21 GLN 85 -8.858 -2.173 -4.540 637 HE22 GLN 85 HE22 GLN 85 -7.671 -3.159 -3.747 638 H VAL 86 H VAL 86 -7.288 2.123 -6.838 639 HA VAL 86 HA VAL 86 -4.672 2.455 -7.915 640 HB VAL 86 HB VAL 86 -6.578 4.578 -6.891 641 HG11 VAL 86 HG11 VAL 86 -4.169 4.827 -8.690 642 HG12 VAL 86 HG12 VAL 86 -4.286 5.393 -7.024 643 HG13 VAL 86 HG13 VAL 86 -5.287 6.127 -8.276 644 HG21 VAL 86 HG21 VAL 86 -6.147 3.479 -9.665 645 HG22 VAL 86 HG22 VAL 86 -7.146 4.879 -9.272 646 HG23 VAL 86 HG23 VAL 86 -7.585 3.282 -8.665 647 H GLU 87 H GLU 87 -6.150 3.581 -4.867 648 HA GLU 87 HA GLU 87 -3.707 4.416 -3.711 649 HB2 GLU 87 HB2 GLU 87 -6.197 3.552 -2.241 650 HB3 GLU 87 HB3 GLU 87 -4.916 4.589 -1.629 651 HG2 GLU 87 HG2 GLU 87 -6.424 6.185 -2.168 652 HG3 GLU 87 HG3 GLU 87 -5.626 6.047 -3.735 653 H PHE 88 H PHE 88 -5.352 1.338 -3.846 654 HA PHE 88 HA PHE 88 -3.820 0.015 -1.869 655 HB2 PHE 88 HB2 PHE 88 -5.906 -0.945 -2.677 656 HB3 PHE 88 HB3 PHE 88 -5.244 -1.086 -4.302 657 HD1 PHE 88 HD2 PHE 88 -4.879 -2.321 -0.832 658 HD2 PHE 88 HD1 PHE 88 -4.034 -2.976 -4.949 659 HE1 PHE 88 HE2 PHE 88 -4.064 -4.582 -0.302 660 HE2 PHE 88 HE1 PHE 88 -3.221 -5.238 -4.430 661 HZ PHE 88 HZ PHE 88 -3.233 -6.042 -2.107 662 H SER 89 H SER 89 -3.345 0.572 -5.310 663 HA SER 89 HA SER 89 -1.152 -1.185 -5.612 664 HB2 SER 89 HB2 SER 89 -1.964 1.221 -7.253 665 HB3 SER 89 HB3 SER 89 -0.711 0.070 -7.717 666 HG SER 89 HG SER 89 -3.494 -0.346 -7.453 667 H ILE 90 H ILE 90 -1.421 2.198 -4.701 668 HA ILE 90 HA ILE 90 1.426 2.611 -4.780 669 HB ILE 90 HB ILE 90 -0.129 4.458 -5.254 670 HG12 ILE 90 HG12 ILE 90 1.505 4.978 -2.766 671 HG13 ILE 90 HG13 ILE 90 2.151 4.922 -4.404 672 HG21 ILE 90 HG21 ILE 90 -0.864 4.288 -2.340 673 HG22 ILE 90 HG22 ILE 90 -1.907 3.881 -3.703 674 HG23 ILE 90 HG23 ILE 90 -1.374 5.545 -3.466 675 HD11 ILE 90 HD11 ILE 90 0.757 6.824 -5.020 676 HD12 ILE 90 HD12 ILE 90 1.811 7.208 -3.659 677 HD13 ILE 90 HD13 ILE 90 0.101 6.875 -3.384 678 H ALA 91 H ALA 91 -0.958 1.696 -2.389 679 HA ALA 91 HA ALA 91 0.681 2.178 -0.107 680 HB1 ALA 91 HB1 ALA 91 -1.713 0.369 -0.401 681 HB2 ALA 91 HB2 ALA 91 -1.755 2.076 0.043 682 HB3 ALA 91 HB3 ALA 91 -0.995 0.903 1.120 683 H MET 92 H MET 92 0.090 -0.632 -2.167 684 HA MET 92 HA MET 92 1.515 -2.448 -0.492 685 HB2 MET 92 HB2 MET 92 1.311 -4.039 -2.295 686 HB3 MET 92 HB3 MET 92 -0.208 -3.179 -2.121 687 HG2 MET 92 HG2 MET 92 0.043 -3.245 -4.397 688 HG3 MET 92 HG3 MET 92 0.722 -1.666 -4.010 689 HE1 MET 92 HE1 MET 92 2.044 -1.434 -6.261 690 HE2 MET 92 HE2 MET 92 1.275 -2.932 -6.791 691 HE3 MET 92 HE3 MET 92 3.020 -2.727 -6.959 692 H LYS 93 H LYS 93 2.402 -0.179 -2.917 693 HA LYS 93 HA LYS 93 4.996 -1.269 -3.454 694 HB2 LYS 93 HB2 LYS 93 3.776 0.155 -5.070 695 HB3 LYS 93 HB3 LYS 93 3.904 1.510 -3.958 696 HG2 LYS 93 HG2 LYS 93 5.549 1.682 -5.723 697 HG3 LYS 93 HG3 LYS 93 6.336 1.448 -4.162 698 HD2 LYS 93 HD2 LYS 93 6.692 -0.892 -4.653 699 HD3 LYS 93 HD3 LYS 93 5.795 -0.740 -6.164 700 HE2 LYS 93 HE2 LYS 93 7.466 0.786 -7.030 701 HE3 LYS 93 HE3 LYS 93 8.340 0.724 -5.502 702 HZ1 LYS 93 HZ1 LYS 93 8.847 -1.560 -5.855 703 HZ2 LYS 93 HZ2 LYS 93 9.267 -0.720 -7.261 704 HZ3 LYS 93 HZ3 LYS 93 7.843 -1.646 -7.217 705 H LEU 94 H LEU 94 3.631 1.168 -1.327 706 HA LEU 94 HA LEU 94 5.975 2.344 -0.376 707 HB2 LEU 94 HB2 LEU 94 3.191 2.343 0.318 708 HB3 LEU 94 HB3 LEU 94 4.147 2.180 1.775 709 HG LEU 94 HG LEU 94 5.395 4.205 1.198 710 HD11 LEU 94 HD11 LEU 94 4.611 5.642 -0.629 711 HD12 LEU 94 HD12 LEU 94 3.490 4.379 -1.135 712 HD13 LEU 94 HD13 LEU 94 5.229 4.102 -1.225 713 HD21 LEU 94 HD21 LEU 94 2.398 4.538 1.202 714 HD22 LEU 94 HD22 LEU 94 3.568 5.808 1.557 715 HD23 LEU 94 HD23 LEU 94 3.442 4.404 2.617 716 H ILE 95 H ILE 95 4.397 -0.642 0.480 717 HA ILE 95 HA ILE 95 5.430 -1.077 3.009 718 HB ILE 95 HB ILE 95 4.907 -3.229 0.954 719 HG12 ILE 95 HG12 ILE 95 2.981 -1.716 1.130 720 HG13 ILE 95 HG13 ILE 95 2.615 -3.290 1.827 721 HG21 ILE 95 HG21 ILE 95 4.836 -3.263 3.968 722 HG22 ILE 95 HG22 ILE 95 6.058 -4.018 2.941 723 HG23 ILE 95 HG23 ILE 95 4.395 -4.608 2.916 724 HD11 ILE 95 HD11 ILE 95 1.735 -1.463 3.174 725 HD12 ILE 95 HD12 ILE 95 3.366 -0.824 3.374 726 HD13 ILE 95 HD13 ILE 95 2.944 -2.394 4.056 727 H LYS 96 H LYS 96 6.810 -1.975 -0.138 728 HA LYS 96 HA LYS 96 8.919 -3.535 0.871 729 HB2 LYS 96 HB2 LYS 96 7.986 -3.267 -1.558 730 HB3 LYS 96 HB3 LYS 96 9.169 -1.975 -1.683 731 HG2 LYS 96 HG2 LYS 96 9.874 -4.796 -0.897 732 HG3 LYS 96 HG3 LYS 96 9.899 -4.210 -2.559 733 HD2 LYS 96 HD2 LYS 96 11.575 -2.549 -1.973 734 HD3 LYS 96 HD3 LYS 96 11.514 -3.054 -0.284 735 HE2 LYS 96 HE2 LYS 96 12.357 -4.798 -2.600 736 HE3 LYS 96 HE3 LYS 96 13.454 -3.985 -1.487 737 HZ1 LYS 96 HZ1 LYS 96 13.177 -6.250 -0.816 738 HZ2 LYS 96 HZ2 LYS 96 11.490 -6.105 -0.804 739 HZ3 LYS 96 HZ3 LYS 96 12.423 -5.258 0.336 740 H LEU 97 H LEU 97 8.714 -0.078 0.091 741 HA LEU 97 HA LEU 97 11.491 0.347 0.730 742 HB2 LEU 97 HB2 LEU 97 10.242 1.682 -0.967 743 HB3 LEU 97 HB3 LEU 97 9.303 2.387 0.335 744 HG LEU 97 HG LEU 97 11.326 3.412 1.262 745 HD11 LEU 97 HD11 LEU 97 12.963 1.756 0.574 746 HD12 LEU 97 HD12 LEU 97 13.424 3.359 -0.004 747 HD13 LEU 97 HD13 LEU 97 12.714 2.188 -1.116 748 HD21 LEU 97 HD21 LEU 97 11.733 5.028 -0.540 749 HD22 LEU 97 HD22 LEU 97 10.017 4.676 -0.347 750 HD23 LEU 97 HD23 LEU 97 10.920 3.952 -1.677 751 H LYS 98 H LYS 98 8.443 0.475 2.374 752 HA LYS 98 HA LYS 98 9.314 1.997 4.619 753 HB2 LYS 98 HB2 LYS 98 6.941 1.751 4.027 754 HB3 LYS 98 HB3 LYS 98 7.027 0.033 4.379 755 HG2 LYS 98 HG2 LYS 98 6.052 0.898 6.276 756 HG3 LYS 98 HG3 LYS 98 7.747 0.779 6.739 757 HD2 LYS 98 HD2 LYS 98 6.497 3.307 5.679 758 HD3 LYS 98 HD3 LYS 98 6.556 2.910 7.394 759 HE2 LYS 98 HE2 LYS 98 9.051 2.732 7.164 760 HE3 LYS 98 HE3 LYS 98 8.879 3.374 5.532 761 HZ1 LYS 98 HZ1 LYS 98 7.613 5.267 6.712 762 HZ2 LYS 98 HZ2 LYS 98 9.308 5.248 6.780 763 HZ3 LYS 98 HZ3 LYS 98 8.403 4.721 8.112 764 H LEU 99 H LEU 99 9.350 -1.407 3.787 765 HA LEU 99 HA LEU 99 10.148 -2.414 6.305 766 HB2 LEU 99 HB2 LEU 99 10.540 -3.413 3.495 767 HB3 LEU 99 HB3 LEU 99 11.130 -4.298 4.884 768 HG LEU 99 HG LEU 99 8.230 -3.576 4.468 769 HD11 LEU 99 HD11 LEU 99 7.925 -5.917 3.814 770 HD12 LEU 99 HD12 LEU 99 9.671 -6.162 3.884 771 HD13 LEU 99 HD13 LEU 99 8.981 -5.065 2.688 772 HD21 LEU 99 HD21 LEU 99 9.604 -5.498 6.344 773 HD22 LEU 99 HD22 LEU 99 7.860 -5.289 6.183 774 HD23 LEU 99 HD23 LEU 99 8.856 -3.964 6.790 775 H GLN 100 H GLN 100 11.799 -0.604 3.907 776 HA GLN 100 HA GLN 100 14.447 -1.246 4.894 777 HB2 GLN 100 HB2 GLN 100 13.436 0.720 2.838 778 HB3 GLN 100 HB3 GLN 100 15.127 0.614 3.308 779 HG2 GLN 100 HG2 GLN 100 13.547 -1.692 2.200 780 HG3 GLN 100 HG3 GLN 100 14.542 -0.613 1.223 781 HE21 GLN 100 HE21 GLN 100 14.540 -3.135 3.611 782 HE22 GLN 100 HE22 GLN 100 16.222 -3.518 3.502 783 H GLY 101 H GLY 101 11.917 0.915 5.629 784 HA2 GLY 101 HA2 GLY 101 11.754 2.255 7.515 785 HA3 GLY 101 HA3 GLY 101 13.467 2.014 7.802 786 H TYR 102 H TYR 102 11.822 3.349 4.935 787 HA TYR 102 HA TYR 102 13.587 5.627 4.997 788 HB2 TYR 102 HB2 TYR 102 12.722 6.230 2.903 789 HB3 TYR 102 HB3 TYR 102 12.674 4.478 2.883 790 HD1 TYR 102 HD2 TYR 102 10.361 3.444 3.732 791 HD2 TYR 102 HD1 TYR 102 10.858 7.384 2.208 792 HE1 TYR 102 HE2 TYR 102 7.959 3.546 3.221 793 HE2 TYR 102 HE1 TYR 102 8.457 7.496 1.700 794 HH TYR 102 HH TYR 102 6.594 5.952 1.270 795 H GLN 103 H GLN 103 12.584 7.827 4.641 796 HA GLN 103 HA GLN 103 10.204 8.199 6.338 797 HB2 GLN 103 HB2 GLN 103 12.725 9.862 6.418 798 HB3 GLN 103 HB3 GLN 103 11.245 10.225 7.296 799 HG2 GLN 103 HG2 GLN 103 11.480 8.090 8.504 800 HG3 GLN 103 HG3 GLN 103 13.010 7.815 7.674 801 HE21 GLN 103 HE21 GLN 103 14.182 7.786 9.565 802 HE22 GLN 103 HE22 GLN 103 14.466 9.215 10.510 803 H LEU 104 H LEU 104 8.726 9.604 5.577 804 HA LEU 104 HA LEU 104 9.350 11.582 3.579 805 HB2 LEU 104 HB2 LEU 104 9.164 9.373 2.337 806 HB3 LEU 104 HB3 LEU 104 7.487 9.324 2.835 807 HG LEU 104 HG LEU 104 7.207 11.554 1.639 808 HD11 LEU 104 HD11 LEU 104 9.558 12.146 1.492 809 HD12 LEU 104 HD12 LEU 104 8.840 12.040 -0.115 810 HD13 LEU 104 HD13 LEU 104 9.866 10.734 0.481 811 HD21 LEU 104 HD21 LEU 104 6.372 9.436 0.747 812 HD22 LEU 104 HD22 LEU 104 7.943 9.125 0.007 813 HD23 LEU 104 HD23 LEU 104 6.964 10.486 -0.538 814 HA PRO 105 HA PRO 105 5.620 13.222 5.497 815 HB2 PRO 105 HB2 PRO 105 5.420 15.050 3.219 816 HB3 PRO 105 HB3 PRO 105 5.738 15.419 4.915 817 HG2 PRO 105 HG2 PRO 105 7.624 15.674 2.999 818 HG3 PRO 105 HG3 PRO 105 8.016 15.221 4.669 819 HD2 PRO 105 HD2 PRO 105 7.771 13.483 2.240 820 HD3 PRO 105 HD3 PRO 105 8.973 13.430 3.547 821 H SER 106 H SER 106 3.378 14.006 4.571 822 HA SER 106 HA SER 106 2.199 11.637 3.577 823 HB2 SER 106 HB2 SER 106 0.992 14.398 3.873 824 HB3 SER 106 HB3 SER 106 0.093 12.894 3.675 825 HG SER 106 HG SER 106 0.298 12.549 5.729 826 H ALA 107 H ALA 107 3.617 14.293 2.016 827 HA ALA 107 HA ALA 107 2.037 14.030 -0.378 828 HB1 ALA 107 HB1 ALA 107 3.462 15.763 -1.317 829 HB2 ALA 107 HB2 ALA 107 4.529 15.662 0.083 830 HB3 ALA 107 HB3 ALA 107 2.874 16.240 0.277 831 H LEU 108 H LEU 108 2.402 11.855 -0.876 832 HA LEU 108 HA LEU 108 5.040 10.968 -1.582 833 HB2 LEU 108 HB2 LEU 108 3.565 9.072 -2.670 834 HB3 LEU 108 HB3 LEU 108 3.816 9.155 -0.939 835 HG LEU 108 HG LEU 108 1.595 10.399 -0.815 836 HD11 LEU 108 HD11 LEU 108 1.399 11.008 -3.165 837 HD12 LEU 108 HD12 LEU 108 0.032 10.019 -2.654 838 HD13 LEU 108 HD13 LEU 108 1.328 9.302 -3.610 839 HD21 LEU 108 HD21 LEU 108 1.871 8.101 -0.097 840 HD22 LEU 108 HD22 LEU 108 1.640 7.538 -1.753 841 HD23 LEU 108 HD23 LEU 108 0.312 8.317 -0.892 842 HA PRO 109 HA PRO 109 5.472 12.640 -5.530 843 HB2 PRO 109 HB2 PRO 109 6.391 10.041 -6.599 844 HB3 PRO 109 HB3 PRO 109 7.253 11.579 -6.478 845 HG2 PRO 109 HG2 PRO 109 7.848 9.527 -4.871 846 HG3 PRO 109 HG3 PRO 109 7.889 11.202 -4.285 847 HD2 PRO 109 HD2 PRO 109 5.795 9.100 -3.871 848 HD3 PRO 109 HD3 PRO 109 6.438 10.293 -2.721 849 HA PRO 110 HA PRO 110 2.005 11.613 -8.079 850 HB2 PRO 110 HB2 PRO 110 2.650 12.990 -10.311 851 HB3 PRO 110 HB3 PRO 110 2.145 13.787 -8.818 852 HG2 PRO 110 HG2 PRO 110 4.899 13.374 -9.904 853 HG3 PRO 110 HG3 PRO 110 4.198 14.819 -9.152 854 HD2 PRO 110 HD2 PRO 110 5.816 13.086 -7.819 855 HD3 PRO 110 HD3 PRO 110 4.539 14.029 -7.024 856 H VAL 111 H VAL 111 5.135 10.570 -8.687 857 HA VAL 111 HA VAL 111 4.760 9.278 -11.197 858 HB VAL 111 HB VAL 111 6.719 8.538 -9.010 859 HG11 VAL 111 HG11 VAL 111 8.069 7.637 -10.845 860 HG12 VAL 111 HG12 VAL 111 6.791 8.055 -11.987 861 HG13 VAL 111 HG13 VAL 111 6.499 6.840 -10.742 862 HG21 VAL 111 HG21 VAL 111 8.317 9.998 -10.151 863 HG22 VAL 111 HG22 VAL 111 6.922 10.906 -9.566 864 HG23 VAL 111 HG23 VAL 111 7.057 10.501 -11.278 865 H MET 112 H MET 112 3.971 8.509 -7.910 866 HA MET 112 HA MET 112 3.599 5.687 -8.438 867 HB2 MET 112 HB2 MET 112 2.808 7.247 -5.980 868 HB3 MET 112 HB3 MET 112 2.948 5.501 -6.123 869 HG2 MET 112 HG2 MET 112 5.399 5.913 -6.666 870 HG3 MET 112 HG3 MET 112 5.124 7.554 -6.080 871 HE1 MET 112 HE1 MET 112 4.780 3.716 -3.571 872 HE2 MET 112 HE2 MET 112 5.287 3.788 -5.260 873 HE3 MET 112 HE3 MET 112 3.609 4.116 -4.824 874 H LYS 113 H LYS 113 1.522 8.458 -7.591 875 HA LYS 113 HA LYS 113 -0.914 7.045 -7.980 876 HB2 LYS 113 HB2 LYS 113 -1.968 9.300 -8.002 877 HB3 LYS 113 HB3 LYS 113 -0.910 9.054 -6.620 878 HG2 LYS 113 HG2 LYS 113 0.440 10.722 -7.214 879 HG3 LYS 113 HG3 LYS 113 0.453 10.237 -8.907 880 HD2 LYS 113 HD2 LYS 113 -0.503 12.464 -8.644 881 HD3 LYS 113 HD3 LYS 113 -1.713 11.327 -9.240 882 HE2 LYS 113 HE2 LYS 113 -2.665 11.124 -7.029 883 HE3 LYS 113 HE3 LYS 113 -1.397 12.150 -6.360 884 HZ1 LYS 113 HZ1 LYS 113 -2.214 13.977 -7.729 885 HZ2 LYS 113 HZ2 LYS 113 -3.421 13.397 -6.689 886 HZ3 LYS 113 HZ3 LYS 113 -3.455 12.990 -8.337 887 H GLN 114 H GLN 114 1.380 8.409 -10.066 888 HA GLN 114 HA GLN 114 1.555 8.715 -12.289 889 HB2 GLN 114 HB2 GLN 114 -0.918 6.981 -12.482 890 HB3 GLN 114 HB3 GLN 114 0.227 7.323 -13.769 891 HG2 GLN 114 HG2 GLN 114 1.983 6.198 -12.417 892 HG3 GLN 114 HG3 GLN 114 0.727 5.729 -11.273 893 HE21 GLN 114 HE21 GLN 114 2.468 4.080 -12.895 894 HE22 GLN 114 HE22 GLN 114 1.438 3.085 -13.869 895 H GLN 115 H GLN 115 -0.317 9.085 -14.298 896 HA GLN 115 HA GLN 115 -1.867 11.368 -13.280 897 HB2 GLN 115 HB2 GLN 115 -0.137 11.841 -15.040 898 HB3 GLN 115 HB3 GLN 115 -1.064 10.835 -16.145 899 HG2 GLN 115 HG2 GLN 115 -2.987 12.340 -15.868 900 HG3 GLN 115 HG3 GLN 115 -2.006 13.370 -14.825 901 HE21 GLN 115 HE21 GLN 115 -2.575 12.269 -18.055 902 HE22 GLN 115 HE22 GLN 115 -1.588 13.448 -18.852 903 HA PRO 116 HA PRO 116 -5.094 8.268 -13.993 904 HB2 PRO 116 HB2 PRO 116 -7.029 9.668 -12.661 905 HB3 PRO 116 HB3 PRO 116 -5.860 8.611 -11.862 906 HG2 PRO 116 HG2 PRO 116 -5.839 11.586 -12.155 907 HG3 PRO 116 HG3 PRO 116 -5.407 10.597 -10.749 908 HD2 PRO 116 HD2 PRO 116 -3.548 11.694 -12.374 909 HD3 PRO 116 HD3 PRO 116 -3.300 10.133 -11.566 910 H VAL 117 H VAL 117 -6.733 8.161 -15.461 911 HA VAL 117 HA VAL 117 -6.858 10.109 -17.478 912 HB VAL 117 HB VAL 117 -8.798 8.796 -18.355 913 HG11 VAL 117 HG11 VAL 117 -6.532 8.204 -18.989 914 HG12 VAL 117 HG12 VAL 117 -7.505 6.745 -18.797 915 HG13 VAL 117 HG13 VAL 117 -6.360 7.214 -17.541 916 HG21 VAL 117 HG21 VAL 117 -9.751 8.088 -16.218 917 HG22 VAL 117 HG22 VAL 117 -8.325 7.101 -15.902 918 HG23 VAL 117 HG23 VAL 117 -9.398 6.697 -17.245 919 H ALA 118 H ALA 118 -7.959 11.930 -17.633 920 HA ALA 118 HA ALA 118 -9.898 12.659 -15.630 921 HB1 ALA 118 HB1 ALA 118 -8.999 14.147 -18.096 922 HB2 ALA 118 HB2 ALA 118 -8.316 14.317 -16.480 923 HB3 ALA 118 HB3 ALA 118 -9.982 14.806 -16.789 924 H ILE 119 H ILE 119 -11.562 11.204 -15.932 925 HA ILE 119 HA ILE 119 -12.645 10.503 -18.423 926 HB ILE 119 HB ILE 119 -12.913 9.033 -16.546 927 HG12 ILE 119 HG12 ILE 119 -15.621 10.114 -17.362 928 HG13 ILE 119 HG13 ILE 119 -14.646 9.008 -18.324 929 HG21 ILE 119 HG21 ILE 119 -14.616 11.177 -15.282 930 HG22 ILE 119 HG22 ILE 119 -13.010 10.674 -14.755 931 HG23 ILE 119 HG23 ILE 119 -14.365 9.551 -14.648 932 HD11 ILE 119 HD11 ILE 119 -15.802 8.440 -15.602 933 HD12 ILE 119 HD12 ILE 119 -14.815 7.331 -16.555 934 HD13 ILE 119 HD13 ILE 119 -16.401 7.827 -17.144 935 H SER 120 H SER 120 -13.872 11.580 -19.749 936 HA SER 120 HA SER 120 -15.538 13.786 -18.760 937 HB2 SER 120 HB2 SER 120 -15.603 14.330 -21.287 938 HB3 SER 120 HB3 SER 120 -14.086 14.604 -20.428 939 HG SER 120 HG SER 120 -14.763 12.366 -22.054 940 H SER 121 H SER 121 -17.558 14.058 -20.331 941 HA SER 121 HA SER 121 -18.820 11.403 -20.533 942 HB2 SER 121 HB2 SER 121 -20.130 14.079 -20.000 943 HB3 SER 121 HB3 SER 121 -20.966 12.530 -20.115 944 HG SER 121 HG SER 121 -18.898 13.076 -18.241 Start of MODEL 15 1 H1 MET 1 H1 MET 1 37.992 -24.679 -38.028 2 H2 MET 1 H2 MET 1 36.969 -24.070 -36.824 3 H3 MET 1 H3 MET 1 37.872 -25.472 -36.533 4 HA MET 1 HA MET 1 38.859 -23.598 -35.413 5 HB2 MET 1 HB2 MET 1 40.345 -25.354 -36.189 6 HB3 MET 1 HB3 MET 1 40.410 -24.642 -37.794 7 HG2 MET 1 HG2 MET 1 41.329 -23.067 -35.433 8 HG3 MET 1 HG3 MET 1 42.370 -24.309 -36.123 9 HE1 MET 1 HE1 MET 1 42.954 -21.108 -35.833 10 HE2 MET 1 HE2 MET 1 43.804 -20.812 -37.349 11 HE3 MET 1 HE3 MET 1 44.159 -22.262 -36.409 12 H GLY 2 H GLY 2 39.279 -21.472 -35.337 13 HA2 GLY 2 HA2 GLY 2 39.908 -19.370 -36.005 14 HA3 GLY 2 HA3 GLY 2 40.295 -20.044 -37.577 15 H HIS 3 H HIS 3 38.938 -19.762 -39.243 16 HA HIS 3 HA HIS 3 37.213 -17.530 -39.053 17 HB2 HIS 3 HB2 HIS 3 36.813 -17.851 -41.455 18 HB3 HIS 3 HB3 HIS 3 38.521 -17.917 -41.056 19 HD1 HIS 3 HD1 HIS 3 37.536 -19.083 -43.691 20 HD2 HIS 3 HD2 HIS 3 37.935 -21.310 -40.200 21 HE1 HIS 3 HE1 HIS 3 37.819 -21.470 -44.433 22 HE2 HIS 3 HE2 HIS 3 37.948 -22.814 -42.303 23 H HIS 4 H HIS 4 36.541 -20.689 -38.279 24 HA HIS 4 HA HIS 4 33.706 -20.063 -38.207 25 HB2 HIS 4 HB2 HIS 4 34.833 -21.992 -40.067 26 HB3 HIS 4 HB3 HIS 4 33.671 -22.740 -38.978 27 HD1 HIS 4 HD1 HIS 4 32.342 -23.001 -41.356 28 HD2 HIS 4 HD2 HIS 4 32.590 -19.174 -39.743 29 HE1 HIS 4 HE1 HIS 4 30.564 -21.660 -42.513 30 HE2 HIS 4 HE2 HIS 4 30.902 -19.304 -41.701 31 H HIS 5 H HIS 5 32.773 -20.772 -36.394 32 HA HIS 5 HA HIS 5 34.053 -22.958 -34.916 33 HB2 HIS 5 HB2 HIS 5 33.872 -21.779 -32.789 34 HB3 HIS 5 HB3 HIS 5 34.877 -20.863 -33.901 35 HD1 HIS 5 HD1 HIS 5 34.256 -18.466 -34.264 36 HD2 HIS 5 HD2 HIS 5 31.211 -20.631 -32.432 37 HE1 HIS 5 HE1 HIS 5 32.507 -16.775 -33.620 38 HE2 HIS 5 HE2 HIS 5 30.775 -18.082 -32.341 39 H HIS 6 H HIS 6 32.666 -24.109 -33.533 40 HA HIS 6 HA HIS 6 29.905 -24.021 -34.433 41 HB2 HIS 6 HB2 HIS 6 31.426 -26.019 -32.749 42 HB3 HIS 6 HB3 HIS 6 29.719 -26.178 -33.164 43 HD1 HIS 6 HD1 HIS 6 33.146 -26.450 -34.612 44 HD2 HIS 6 HD2 HIS 6 29.197 -26.847 -35.844 45 HE1 HIS 6 HE1 HIS 6 33.250 -27.529 -36.884 46 HE2 HIS 6 HE2 HIS 6 30.869 -27.519 -37.698 47 H HIS 7 H HIS 7 28.346 -24.810 -32.464 48 HA HIS 7 HA HIS 7 28.651 -22.626 -30.502 49 HB2 HIS 7 HB2 HIS 7 26.237 -23.520 -32.058 50 HB3 HIS 7 HB3 HIS 7 26.069 -22.624 -30.551 51 HD1 HIS 7 HD1 HIS 7 25.780 -20.216 -30.930 52 HD2 HIS 7 HD2 HIS 7 28.129 -21.958 -33.884 53 HE1 HIS 7 HE1 HIS 7 26.384 -18.350 -32.501 54 HE2 HIS 7 HE2 HIS 7 27.651 -19.460 -34.375 55 H HIS 8 H HIS 8 26.737 -22.973 -28.794 56 HA HIS 8 HA HIS 8 25.883 -24.123 -27.041 57 HB2 HIS 8 HB2 HIS 8 25.433 -25.976 -28.769 58 HB3 HIS 8 HB3 HIS 8 26.893 -26.735 -28.149 59 HD1 HIS 8 HD1 HIS 8 24.740 -28.539 -27.679 60 HD2 HIS 8 HD2 HIS 8 25.265 -25.272 -25.153 61 HE1 HIS 8 HE1 HIS 8 23.484 -29.093 -25.572 62 HE2 HIS 8 HE2 HIS 8 23.669 -27.030 -24.138 63 H SER 9 H SER 9 28.949 -25.694 -28.028 64 HA SER 9 HA SER 9 29.915 -25.598 -25.307 65 HB2 SER 9 HB2 SER 9 30.593 -27.410 -26.904 66 HB3 SER 9 HB3 SER 9 31.470 -26.201 -27.840 67 HG SER 9 HG SER 9 32.071 -27.332 -25.355 68 H HIS 10 H HIS 10 29.826 -23.445 -24.777 69 HA HIS 10 HA HIS 10 31.648 -21.658 -26.249 70 HB2 HIS 10 HB2 HIS 10 29.167 -21.233 -26.596 71 HB3 HIS 10 HB3 HIS 10 29.081 -20.817 -24.890 72 HD1 HIS 10 HD1 HIS 10 29.467 -18.414 -24.340 73 HD2 HIS 10 HD2 HIS 10 30.986 -19.454 -28.074 74 HE1 HIS 10 HE1 HIS 10 30.258 -16.266 -25.382 75 HE2 HIS 10 HE2 HIS 10 30.912 -16.894 -27.730 76 H MET 11 H MET 11 33.367 -21.594 -24.913 77 HA MET 11 HA MET 11 33.070 -21.634 -22.048 78 HB2 MET 11 HB2 MET 11 35.491 -21.245 -23.816 79 HB3 MET 11 HB3 MET 11 35.560 -21.327 -22.061 80 HG2 MET 11 HG2 MET 11 34.609 -23.591 -22.153 81 HG3 MET 11 HG3 MET 11 34.627 -23.505 -23.914 82 HE1 MET 11 HE1 MET 11 37.349 -22.019 -21.477 83 HE2 MET 11 HE2 MET 11 38.445 -23.391 -21.318 84 HE3 MET 11 HE3 MET 11 36.815 -23.486 -20.655 85 H ALA 12 H ALA 12 32.533 -19.926 -20.904 86 HA ALA 12 HA ALA 12 33.733 -17.345 -21.507 87 HB1 ALA 12 HB1 ALA 12 31.598 -16.173 -21.405 88 HB2 ALA 12 HB2 ALA 12 30.752 -17.712 -21.247 89 HB3 ALA 12 HB3 ALA 12 31.618 -17.330 -22.736 90 H GLN 13 H GLN 13 33.222 -15.752 -19.743 91 HA GLN 13 HA GLN 13 33.210 -17.152 -17.166 92 HB2 GLN 13 HB2 GLN 13 34.140 -15.091 -16.229 93 HB3 GLN 13 HB3 GLN 13 35.117 -15.678 -17.566 94 HG2 GLN 13 HG2 GLN 13 34.166 -14.019 -19.035 95 HG3 GLN 13 HG3 GLN 13 33.088 -13.467 -17.755 96 HE21 GLN 13 HE21 GLN 13 35.099 -12.018 -19.260 97 HE22 GLN 13 HE22 GLN 13 36.194 -11.362 -18.090 98 H PHE 14 H PHE 14 32.227 -15.671 -15.348 99 HA PHE 14 HA PHE 14 29.424 -15.585 -16.010 100 HB2 PHE 14 HB2 PHE 14 30.820 -14.932 -13.402 101 HB3 PHE 14 HB3 PHE 14 29.089 -15.172 -13.616 102 HD1 PHE 14 HD1 PHE 14 28.396 -17.485 -14.643 103 HD2 PHE 14 HD2 PHE 14 32.124 -16.708 -12.739 104 HE1 PHE 14 HE1 PHE 14 28.686 -19.896 -14.223 105 HE2 PHE 14 HE2 PHE 14 32.418 -19.110 -12.322 106 HZ PHE 14 HZ PHE 14 30.697 -20.710 -13.063 107 HA PRO 15 HA PRO 15 29.175 -11.201 -16.752 108 HB2 PRO 15 HB2 PRO 15 26.324 -11.436 -16.131 109 HB3 PRO 15 HB3 PRO 15 27.103 -11.038 -17.665 110 HG2 PRO 15 HG2 PRO 15 25.832 -13.384 -17.260 111 HG3 PRO 15 HG3 PRO 15 27.251 -13.241 -18.312 112 HD2 PRO 15 HD2 PRO 15 27.074 -14.247 -15.493 113 HD3 PRO 15 HD3 PRO 15 28.000 -14.898 -16.865 114 H THR 16 H THR 16 29.221 -9.400 -15.530 115 HA THR 16 HA THR 16 28.740 -9.731 -12.660 116 HB THR 16 HB THR 16 30.095 -7.568 -12.543 117 HG1 THR 16 HG1 THR 16 31.488 -7.834 -14.754 118 HG21 THR 16 HG21 THR 16 31.046 -9.736 -11.976 119 HG22 THR 16 HG22 THR 16 32.235 -8.748 -12.824 120 HG23 THR 16 HG23 THR 16 31.396 -10.047 -13.674 121 HA PRO 17 HA PRO 17 25.378 -6.869 -12.219 122 HB2 PRO 17 HB2 PRO 17 27.193 -4.943 -10.840 123 HB3 PRO 17 HB3 PRO 17 25.624 -5.581 -10.335 124 HG2 PRO 17 HG2 PRO 17 27.866 -6.494 -9.238 125 HG3 PRO 17 HG3 PRO 17 26.526 -7.596 -9.616 126 HD2 PRO 17 HD2 PRO 17 29.114 -7.188 -11.050 127 HD3 PRO 17 HD3 PRO 17 28.185 -8.679 -10.797 128 H PHE 18 H PHE 18 24.753 -5.976 -14.072 129 HA PHE 18 HA PHE 18 26.007 -3.449 -14.892 130 HB2 PHE 18 HB2 PHE 18 25.656 -5.912 -16.517 131 HB3 PHE 18 HB3 PHE 18 25.309 -4.380 -17.309 132 HD1 PHE 18 HD1 PHE 18 27.954 -6.103 -15.327 133 HD2 PHE 18 HD2 PHE 18 27.022 -3.163 -18.258 134 HE1 PHE 18 HE1 PHE 18 30.354 -5.782 -15.767 135 HE2 PHE 18 HE2 PHE 18 29.420 -2.840 -18.701 136 HZ PHE 18 HZ PHE 18 31.089 -4.151 -17.452 137 H GLY 19 H GLY 19 23.504 -4.360 -13.457 138 HA2 GLY 19 HA2 GLY 19 21.398 -3.588 -15.318 139 HA3 GLY 19 HA3 GLY 19 21.176 -4.156 -13.669 140 H GLY 20 H GLY 20 20.107 -2.615 -12.605 141 HA2 GLY 20 HA2 GLY 20 20.571 -0.512 -11.362 142 HA3 GLY 20 HA3 GLY 20 21.078 0.165 -12.902 143 H SER 21 H SER 21 18.329 -0.977 -11.040 144 HA SER 21 HA SER 21 16.464 0.113 -12.986 145 HB2 SER 21 HB2 SER 21 14.762 -0.729 -11.252 146 HB3 SER 21 HB3 SER 21 15.728 -1.943 -12.088 147 HG SER 21 HG SER 21 15.476 -1.772 -9.551 148 H LEU 22 H LEU 22 16.052 2.213 -12.960 149 HA LEU 22 HA LEU 22 16.316 3.701 -10.446 150 HB2 LEU 22 HB2 LEU 22 16.062 4.675 -13.292 151 HB3 LEU 22 HB3 LEU 22 16.303 5.694 -11.888 152 HG LEU 22 HG LEU 22 18.261 3.629 -12.901 153 HD11 LEU 22 HD11 LEU 22 18.046 5.571 -14.385 154 HD12 LEU 22 HD12 LEU 22 19.614 5.528 -13.582 155 HD13 LEU 22 HD13 LEU 22 18.368 6.642 -13.021 156 HD21 LEU 22 HD21 LEU 22 18.516 5.669 -10.692 157 HD22 LEU 22 HD22 LEU 22 19.798 4.608 -11.275 158 HD23 LEU 22 HD23 LEU 22 18.381 3.923 -10.481 159 H ASP 23 H ASP 23 13.958 2.347 -12.403 160 HA ASP 23 HA ASP 23 11.926 4.365 -12.130 161 HB2 ASP 23 HB2 ASP 23 11.614 1.484 -12.996 162 HB3 ASP 23 HB3 ASP 23 10.488 2.804 -13.296 163 H THR 24 H THR 24 13.188 2.874 -9.746 164 HA THR 24 HA THR 24 11.286 1.198 -8.559 165 HB THR 24 HB THR 24 13.252 2.938 -7.078 166 HG1 THR 24 HG1 THR 24 14.753 1.250 -7.509 167 HG21 THR 24 HG21 THR 24 12.163 0.175 -6.517 168 HG22 THR 24 HG22 THR 24 11.680 1.655 -5.690 169 HG23 THR 24 HG23 THR 24 13.327 1.049 -5.521 170 H TRP 25 H TRP 25 11.624 4.706 -8.512 171 HA TRP 25 HA TRP 25 9.528 4.951 -6.504 172 HB2 TRP 25 HB2 TRP 25 11.478 6.829 -7.735 173 HB3 TRP 25 HB3 TRP 25 9.982 7.480 -7.078 174 HD1 TRP 25 HD1 TRP 25 13.400 6.701 -6.034 175 HE1 TRP 25 HE1 TRP 25 13.591 6.581 -3.465 176 HE3 TRP 25 HE3 TRP 25 8.430 6.478 -4.862 177 HZ2 TRP 25 HZ2 TRP 25 11.856 6.404 -1.241 178 HZ3 TRP 25 HZ3 TRP 25 7.780 6.331 -2.494 179 HH2 TRP 25 HH2 TRP 25 9.457 6.292 -0.721 180 H ALA 26 H ALA 26 9.449 4.252 -9.557 181 HA ALA 26 HA ALA 26 7.073 5.878 -10.156 182 HB1 ALA 26 HB1 ALA 26 7.383 5.179 -12.486 183 HB2 ALA 26 HB2 ALA 26 8.791 4.229 -12.011 184 HB3 ALA 26 HB3 ALA 26 8.821 5.987 -11.861 185 H ILE 27 H ILE 27 5.692 4.303 -11.841 186 HA ILE 27 HA ILE 27 5.511 1.655 -10.585 187 HB ILE 27 HB ILE 27 3.182 3.398 -11.394 188 HG12 ILE 27 HG12 ILE 27 3.930 2.104 -8.762 189 HG13 ILE 27 HG13 ILE 27 4.115 3.810 -9.144 190 HG21 ILE 27 HG21 ILE 27 3.183 0.489 -10.586 191 HG22 ILE 27 HG22 ILE 27 2.760 1.135 -12.171 192 HG23 ILE 27 HG23 ILE 27 1.744 1.491 -10.775 193 HD11 ILE 27 HD11 ILE 27 1.695 4.027 -9.351 194 HD12 ILE 27 HD12 ILE 27 2.157 3.412 -7.764 195 HD13 ILE 27 HD13 ILE 27 1.512 2.312 -8.981 196 H THR 28 H THR 28 6.586 0.608 -12.086 197 HA THR 28 HA THR 28 6.375 0.932 -14.884 198 HB THR 28 HB THR 28 7.139 -1.630 -13.475 199 HG1 THR 28 HG1 THR 28 8.277 -0.011 -12.407 200 HG21 THR 28 HG21 THR 28 8.734 -1.841 -15.323 201 HG22 THR 28 HG22 THR 28 8.173 -0.309 -15.991 202 HG23 THR 28 HG23 THR 28 7.083 -1.696 -15.926 203 H VAL 29 H VAL 29 5.349 -0.610 -16.431 204 HA VAL 29 HA VAL 29 2.683 -1.199 -15.827 205 HB VAL 29 HB VAL 29 3.668 -0.964 -18.132 206 HG11 VAL 29 HG11 VAL 29 4.482 -3.005 -19.237 207 HG12 VAL 29 HG12 VAL 29 4.489 -3.821 -17.672 208 HG13 VAL 29 HG13 VAL 29 5.554 -2.443 -17.953 209 HG21 VAL 29 HG21 VAL 29 1.900 -3.345 -17.597 210 HG22 VAL 29 HG22 VAL 29 2.096 -2.559 -19.163 211 HG23 VAL 29 HG23 VAL 29 1.381 -1.675 -17.815 212 H GLU 30 H GLU 30 5.592 -3.100 -15.476 213 HA GLU 30 HA GLU 30 4.391 -5.570 -14.853 214 HB2 GLU 30 HB2 GLU 30 6.793 -5.313 -15.347 215 HB3 GLU 30 HB3 GLU 30 7.003 -4.420 -13.849 216 HG2 GLU 30 HG2 GLU 30 6.345 -6.389 -12.573 217 HG3 GLU 30 HG3 GLU 30 6.129 -7.289 -14.073 218 H GLU 31 H GLU 31 5.418 -2.866 -12.790 219 HA GLU 31 HA GLU 31 4.535 -4.003 -10.355 220 HB2 GLU 31 HB2 GLU 31 4.918 -1.094 -11.105 221 HB3 GLU 31 HB3 GLU 31 4.710 -1.695 -9.467 222 HG2 GLU 31 HG2 GLU 31 6.776 -2.943 -9.628 223 HG3 GLU 31 HG3 GLU 31 6.971 -2.439 -11.306 224 H ARG 32 H ARG 32 2.988 -2.073 -12.829 225 HA ARG 32 HA ARG 32 0.610 -1.504 -11.425 226 HB2 ARG 32 HB2 ARG 32 1.444 -0.443 -13.581 227 HB3 ARG 32 HB3 ARG 32 0.833 -1.860 -14.415 228 HG2 ARG 32 HG2 ARG 32 -1.407 -1.383 -13.729 229 HG3 ARG 32 HG3 ARG 32 -0.856 -0.085 -12.671 230 HD2 ARG 32 HD2 ARG 32 0.119 0.952 -14.817 231 HD3 ARG 32 HD3 ARG 32 -0.950 -0.167 -15.663 232 HE ARG 32 HE ARG 32 -2.760 0.927 -14.198 233 HH11 ARG 32 HH11 ARG 32 0.034 2.546 -15.546 234 HH12 ARG 32 HH12 ARG 32 -0.681 4.128 -15.479 235 HH21 ARG 32 HH21 ARG 32 -3.744 3.002 -14.171 236 HH22 ARG 32 HH22 ARG 32 -2.840 4.379 -14.718 237 H ALA 33 H ALA 33 1.591 -4.195 -13.496 238 HA ALA 33 HA ALA 33 -0.902 -5.591 -13.229 239 HB1 ALA 33 HB1 ALA 33 1.803 -6.631 -14.071 240 HB2 ALA 33 HB2 ALA 33 0.575 -5.965 -15.147 241 HB3 ALA 33 HB3 ALA 33 0.262 -7.464 -14.272 242 H LYS 34 H LYS 34 2.004 -5.332 -11.403 243 HA LYS 34 HA LYS 34 2.017 -7.731 -9.976 244 HB2 LYS 34 HB2 LYS 34 3.710 -5.715 -10.143 245 HB3 LYS 34 HB3 LYS 34 2.870 -5.153 -8.710 246 HG2 LYS 34 HG2 LYS 34 4.173 -7.856 -8.915 247 HG3 LYS 34 HG3 LYS 34 4.993 -6.420 -8.308 248 HD2 LYS 34 HD2 LYS 34 2.995 -6.256 -6.677 249 HD3 LYS 34 HD3 LYS 34 2.698 -7.938 -7.119 250 HE2 LYS 34 HE2 LYS 34 5.201 -6.794 -5.887 251 HE3 LYS 34 HE3 LYS 34 4.030 -7.858 -5.111 252 HZ1 LYS 34 HZ1 LYS 34 5.762 -8.576 -7.421 253 HZ2 LYS 34 HZ2 LYS 34 4.640 -9.606 -6.671 254 HZ3 LYS 34 HZ3 LYS 34 5.996 -9.061 -5.814 255 H HIS 35 H HIS 35 0.009 -4.888 -9.617 256 HA HIS 35 HA HIS 35 -0.697 -5.148 -6.919 257 HB2 HIS 35 HB2 HIS 35 -2.373 -3.607 -7.282 258 HB3 HIS 35 HB3 HIS 35 -1.329 -3.263 -8.647 259 HD1 HIS 35 HD1 HIS 35 -2.281 -3.794 -11.012 260 HD2 HIS 35 HD2 HIS 35 -4.876 -4.701 -7.891 261 HE1 HIS 35 HE1 HIS 35 -4.517 -4.215 -12.085 262 HE2 HIS 35 HE2 HIS 35 -6.069 -4.797 -10.182 263 H ASP 36 H ASP 36 -1.823 -6.791 -9.768 264 HA ASP 36 HA ASP 36 -4.099 -8.045 -8.669 265 HB2 ASP 36 HB2 ASP 36 -3.684 -7.898 -11.094 266 HB3 ASP 36 HB3 ASP 36 -2.309 -8.984 -10.924 267 H GLN 37 H GLN 37 -0.762 -9.144 -9.095 268 HA GLN 37 HA GLN 37 -1.021 -11.674 -7.933 269 HB2 GLN 37 HB2 GLN 37 0.925 -10.980 -9.243 270 HB3 GLN 37 HB3 GLN 37 1.369 -9.826 -7.996 271 HG2 GLN 37 HG2 GLN 37 1.679 -11.708 -6.425 272 HG3 GLN 37 HG3 GLN 37 1.350 -12.824 -7.751 273 HE21 GLN 37 HE21 GLN 37 2.855 -13.032 -9.417 274 HE22 GLN 37 HE22 GLN 37 4.488 -12.481 -9.252 275 H GLN 38 H GLN 38 -0.159 -8.551 -6.490 276 HA GLN 38 HA GLN 38 0.325 -9.554 -3.885 277 HB2 GLN 38 HB2 GLN 38 1.085 -7.324 -4.846 278 HB3 GLN 38 HB3 GLN 38 -0.554 -6.750 -4.580 279 HG2 GLN 38 HG2 GLN 38 0.617 -6.008 -2.718 280 HG3 GLN 38 HG3 GLN 38 -0.219 -7.453 -2.149 281 HE21 GLN 38 HE21 GLN 38 2.831 -6.030 -2.938 282 HE22 GLN 38 HE22 GLN 38 3.831 -7.277 -2.275 283 H PHE 39 H PHE 39 -2.460 -7.905 -5.332 284 HA PHE 39 HA PHE 39 -4.047 -7.867 -3.010 285 HB2 PHE 39 HB2 PHE 39 -4.379 -6.411 -5.002 286 HB3 PHE 39 HB3 PHE 39 -4.947 -7.812 -5.900 287 HD1 PHE 39 HD2 PHE 39 -5.816 -7.382 -2.385 288 HD2 PHE 39 HD1 PHE 39 -7.054 -6.753 -6.401 289 HE1 PHE 39 HE2 PHE 39 -8.099 -6.941 -1.609 290 HE2 PHE 39 HE1 PHE 39 -9.349 -6.305 -5.621 291 HZ PHE 39 HZ PHE 39 -9.869 -6.400 -3.223 292 H HIS 40 H HIS 40 -3.673 -10.227 -5.585 293 HA HIS 40 HA HIS 40 -5.934 -11.808 -4.938 294 HB2 HIS 40 HB2 HIS 40 -4.641 -11.899 -7.095 295 HB3 HIS 40 HB3 HIS 40 -3.363 -12.749 -6.235 296 HD1 HIS 40 HD1 HIS 40 -3.483 -15.056 -7.120 297 HD2 HIS 40 HD2 HIS 40 -7.242 -13.548 -6.174 298 HE1 HIS 40 HE1 HIS 40 -5.089 -16.958 -7.481 299 HE2 HIS 40 HE2 HIS 40 -7.376 -15.956 -7.118 300 H SER 41 H SER 41 -2.648 -11.705 -3.763 301 HA SER 41 HA SER 41 -2.805 -14.165 -2.337 302 HB2 SER 41 HB2 SER 41 -0.828 -11.887 -2.106 303 HB3 SER 41 HB3 SER 41 -0.619 -13.502 -1.435 304 HG SER 41 HG SER 41 -0.614 -12.681 -4.138 305 H LEU 42 H LEU 42 -3.824 -10.974 -1.704 306 HA LEU 42 HA LEU 42 -3.754 -11.073 1.154 307 HB2 LEU 42 HB2 LEU 42 -3.904 -9.029 -0.418 308 HB3 LEU 42 HB3 LEU 42 -5.613 -9.388 -0.520 309 HG LEU 42 HG LEU 42 -4.268 -8.885 2.132 310 HD11 LEU 42 HD11 LEU 42 -5.541 -6.863 0.292 311 HD12 LEU 42 HD12 LEU 42 -3.825 -6.966 0.684 312 HD13 LEU 42 HD13 LEU 42 -4.994 -6.560 1.941 313 HD21 LEU 42 HD21 LEU 42 -6.493 -9.896 2.205 314 HD22 LEU 42 HD22 LEU 42 -7.120 -8.596 1.190 315 HD23 LEU 42 HD23 LEU 42 -6.525 -8.240 2.812 316 H LYS 43 H LYS 43 -5.687 -12.485 -1.240 317 HA LYS 43 HA LYS 43 -7.646 -13.594 -1.341 318 HB2 LYS 43 HB2 LYS 43 -7.313 -13.700 1.656 319 HB3 LYS 43 HB3 LYS 43 -8.680 -14.427 0.831 320 HG2 LYS 43 HG2 LYS 43 -7.221 -16.197 1.141 321 HG3 LYS 43 HG3 LYS 43 -6.918 -15.710 -0.527 322 HD2 LYS 43 HD2 LYS 43 -4.949 -14.478 0.168 323 HD3 LYS 43 HD3 LYS 43 -5.277 -14.864 1.858 324 HE2 LYS 43 HE2 LYS 43 -4.612 -16.834 -0.330 325 HE3 LYS 43 HE3 LYS 43 -3.542 -16.318 0.974 326 HZ1 LYS 43 HZ1 LYS 43 -6.025 -17.926 1.191 327 HZ2 LYS 43 HZ2 LYS 43 -5.270 -17.218 2.536 328 HZ3 LYS 43 HZ3 LYS 43 -4.447 -18.381 1.617 329 HA PRO 44 HA PRO 44 -9.824 -9.548 -0.689 330 HB2 PRO 44 HB2 PRO 44 -11.081 -9.849 -3.158 331 HB3 PRO 44 HB3 PRO 44 -9.657 -8.857 -2.839 332 HG2 PRO 44 HG2 PRO 44 -9.852 -11.563 -4.041 333 HG3 PRO 44 HG3 PRO 44 -8.689 -10.266 -4.357 334 HD2 PRO 44 HD2 PRO 44 -8.074 -12.473 -2.904 335 HD3 PRO 44 HD3 PRO 44 -7.323 -10.894 -2.613 336 H ILE 45 H ILE 45 -11.848 -9.398 0.107 337 HA ILE 45 HA ILE 45 -13.123 -11.806 0.857 338 HB ILE 45 HB ILE 45 -13.123 -9.769 2.239 339 HG12 ILE 45 HG12 ILE 45 -15.916 -10.708 1.543 340 HG13 ILE 45 HG13 ILE 45 -14.795 -11.583 2.583 341 HG21 ILE 45 HG21 ILE 45 -14.706 -7.956 1.772 342 HG22 ILE 45 HG22 ILE 45 -15.088 -8.701 0.220 343 HG23 ILE 45 HG23 ILE 45 -13.462 -8.091 0.531 344 HD11 ILE 45 HD11 ILE 45 -15.961 -8.860 3.112 345 HD12 ILE 45 HD12 ILE 45 -14.805 -9.699 4.146 346 HD13 ILE 45 HD13 ILE 45 -16.415 -10.371 3.900 347 H SER 46 H SER 46 -13.791 -9.460 -1.644 348 HA SER 46 HA SER 46 -15.588 -11.282 -2.968 349 HB2 SER 46 HB2 SER 46 -17.043 -10.098 -1.303 350 HB3 SER 46 HB3 SER 46 -16.612 -8.571 -2.065 351 HG SER 46 HG SER 46 -17.810 -10.730 -3.476 352 H GLY 47 H GLY 47 -13.132 -10.462 -3.736 353 HA2 GLY 47 HA2 GLY 47 -12.148 -9.697 -5.696 354 HA3 GLY 47 HA3 GLY 47 -13.679 -8.961 -6.141 355 H PHE 48 H PHE 48 -13.116 -7.961 -3.075 356 HA PHE 48 HA PHE 48 -11.408 -5.714 -3.791 357 HB2 PHE 48 HB2 PHE 48 -12.986 -4.042 -3.159 358 HB3 PHE 48 HB3 PHE 48 -13.804 -5.085 -4.311 359 HD1 PHE 48 HD1 PHE 48 -15.472 -6.761 -3.454 360 HD2 PHE 48 HD2 PHE 48 -13.808 -3.724 -0.985 361 HE1 PHE 48 HE1 PHE 48 -17.306 -7.068 -1.843 362 HE2 PHE 48 HE2 PHE 48 -15.637 -4.029 0.631 363 HZ PHE 48 HZ PHE 48 -17.388 -5.702 0.204 364 H ILE 49 H ILE 49 -11.036 -4.335 -1.802 365 HA ILE 49 HA ILE 49 -11.163 -5.960 0.641 366 HB ILE 49 HB ILE 49 -9.087 -4.492 1.279 367 HG12 ILE 49 HG12 ILE 49 -8.661 -4.744 -1.701 368 HG13 ILE 49 HG13 ILE 49 -9.210 -3.257 -0.939 369 HG21 ILE 49 HG21 ILE 49 -7.616 -6.307 0.556 370 HG22 ILE 49 HG22 ILE 49 -8.894 -6.910 -0.501 371 HG23 ILE 49 HG23 ILE 49 -9.123 -6.911 1.248 372 HD11 ILE 49 HD11 ILE 49 -6.822 -3.205 -1.347 373 HD12 ILE 49 HD12 ILE 49 -6.611 -4.671 -0.388 374 HD13 ILE 49 HD13 ILE 49 -7.161 -3.183 0.383 375 H THR 50 H THR 50 -10.556 -4.355 2.549 376 HA THR 50 HA THR 50 -11.691 -1.739 2.275 377 HB THR 50 HB THR 50 -13.734 -3.133 2.430 378 HG1 THR 50 HG1 THR 50 -14.701 -1.894 3.992 379 HG21 THR 50 HG21 THR 50 -14.244 -4.361 4.498 380 HG22 THR 50 HG22 THR 50 -12.627 -4.000 5.104 381 HG23 THR 50 HG23 THR 50 -12.827 -5.019 3.681 382 H GLY 51 H GLY 51 -12.082 -1.056 4.859 383 HA2 GLY 51 HA2 GLY 51 -9.538 -0.734 5.937 384 HA3 GLY 51 HA3 GLY 51 -11.034 -0.543 6.834 385 H ASP 52 H ASP 52 -11.928 -3.235 6.604 386 HA ASP 52 HA ASP 52 -10.761 -4.330 8.899 387 HB2 ASP 52 HB2 ASP 52 -13.060 -4.838 8.062 388 HB3 ASP 52 HB3 ASP 52 -12.337 -5.828 6.797 389 H GLN 53 H GLN 53 -10.445 -5.382 5.511 390 HA GLN 53 HA GLN 53 -8.559 -7.420 6.158 391 HB2 GLN 53 HB2 GLN 53 -9.303 -6.199 3.498 392 HB3 GLN 53 HB3 GLN 53 -8.243 -7.590 3.689 393 HG2 GLN 53 HG2 GLN 53 -10.187 -8.692 4.913 394 HG3 GLN 53 HG3 GLN 53 -11.179 -7.385 4.268 395 HE21 GLN 53 HE21 GLN 53 -9.333 -10.221 3.524 396 HE22 GLN 53 HE22 GLN 53 -9.900 -10.426 1.906 397 H ALA 54 H ALA 54 -8.330 -4.066 5.191 398 HA ALA 54 HA ALA 54 -5.611 -3.970 4.511 399 HB1 ALA 54 HB1 ALA 54 -7.237 -1.815 5.868 400 HB2 ALA 54 HB2 ALA 54 -7.175 -2.101 4.129 401 HB3 ALA 54 HB3 ALA 54 -5.725 -1.590 4.990 402 H ARG 55 H ARG 55 -7.251 -3.718 7.631 403 HA ARG 55 HA ARG 55 -5.048 -3.168 9.246 404 HB2 ARG 55 HB2 ARG 55 -7.564 -4.726 9.821 405 HB3 ARG 55 HB3 ARG 55 -6.382 -4.320 11.056 406 HG2 ARG 55 HG2 ARG 55 -7.908 -2.345 9.377 407 HG3 ARG 55 HG3 ARG 55 -8.265 -2.776 11.052 408 HD2 ARG 55 HD2 ARG 55 -5.994 -1.992 11.675 409 HD3 ARG 55 HD3 ARG 55 -5.768 -1.446 10.013 410 HE ARG 55 HE ARG 55 -8.141 -0.347 11.086 411 HH11 ARG 55 HH11 ARG 55 -4.658 -0.094 11.396 412 HH12 ARG 55 HH12 ARG 55 -4.697 1.591 11.818 413 HH21 ARG 55 HH21 ARG 55 -8.179 1.871 11.665 414 HH22 ARG 55 HH22 ARG 55 -6.684 2.708 11.968 415 H ASN 56 H ASN 56 -6.418 -6.308 8.303 416 HA ASN 56 HA ASN 56 -4.635 -7.883 9.803 417 HB2 ASN 56 HB2 ASN 56 -6.735 -8.787 8.933 418 HB3 ASN 56 HB3 ASN 56 -6.152 -8.601 7.282 419 HD21 ASN 56 HD21 ASN 56 -4.762 -10.115 6.438 420 HD22 ASN 56 HD22 ASN 56 -4.317 -11.566 7.267 421 H PHE 57 H PHE 57 -4.548 -6.908 6.384 422 HA PHE 57 HA PHE 57 -2.211 -8.292 5.687 423 HB2 PHE 57 HB2 PHE 57 -3.769 -7.269 4.056 424 HB3 PHE 57 HB3 PHE 57 -3.219 -5.673 4.557 425 HD1 PHE 57 HD1 PHE 57 -1.039 -4.854 3.927 426 HD2 PHE 57 HD2 PHE 57 -2.357 -8.714 2.721 427 HE1 PHE 57 HE1 PHE 57 0.785 -4.964 2.301 428 HE2 PHE 57 HE2 PHE 57 -0.527 -8.830 1.080 429 HZ PHE 57 HZ PHE 57 1.051 -6.947 0.868 430 H PHE 58 H PHE 58 -2.606 -4.895 6.673 431 HA PHE 58 HA PHE 58 0.094 -4.207 6.622 432 HB2 PHE 58 HB2 PHE 58 -2.313 -3.092 8.009 433 HB3 PHE 58 HB3 PHE 58 -0.720 -2.462 8.412 434 HD1 PHE 58 HD1 PHE 58 -2.140 -3.536 5.135 435 HD2 PHE 58 HD2 PHE 58 -0.598 -0.353 7.503 436 HE1 PHE 58 HE1 PHE 58 -2.225 -2.044 3.182 437 HE2 PHE 58 HE2 PHE 58 -0.678 1.143 5.554 438 HZ PHE 58 HZ PHE 58 -1.495 0.298 3.390 439 H PHE 59 H PHE 59 -1.877 -5.416 9.327 440 HA PHE 59 HA PHE 59 0.185 -5.192 11.256 441 HB2 PHE 59 HB2 PHE 59 -2.321 -5.439 11.690 442 HB3 PHE 59 HB3 PHE 59 -2.100 -7.157 11.380 443 HD1 PHE 59 HD1 PHE 59 -0.877 -4.392 13.507 444 HD2 PHE 59 HD2 PHE 59 -1.437 -8.583 13.101 445 HE1 PHE 59 HE1 PHE 59 -0.188 -4.702 15.847 446 HE2 PHE 59 HE2 PHE 59 -0.752 -8.907 15.444 447 HZ PHE 59 HZ PHE 59 -0.122 -6.961 16.817 448 H GLN 60 H GLN 60 -0.842 -7.781 9.114 449 HA GLN 60 HA GLN 60 0.829 -9.775 10.274 450 HB2 GLN 60 HB2 GLN 60 -1.265 -10.174 8.931 451 HB3 GLN 60 HB3 GLN 60 -0.347 -9.753 7.493 452 HG2 GLN 60 HG2 GLN 60 1.119 -11.619 7.825 453 HG3 GLN 60 HG3 GLN 60 0.345 -12.004 9.361 454 HE21 GLN 60 HE21 GLN 60 -1.710 -12.915 9.360 455 HE22 GLN 60 HE22 GLN 60 -2.410 -13.628 7.942 456 H SER 61 H SER 61 1.459 -7.132 8.260 457 HA SER 61 HA SER 61 3.719 -8.186 6.872 458 HB2 SER 61 HB2 SER 61 3.016 -5.310 7.517 459 HB3 SER 61 HB3 SER 61 4.222 -5.839 6.341 460 HG SER 61 HG SER 61 1.509 -6.648 6.195 461 H GLY 62 H GLY 62 3.149 -7.047 10.070 462 HA2 GLY 62 HA2 GLY 62 4.585 -7.508 11.869 463 HA3 GLY 62 HA3 GLY 62 5.916 -7.690 10.735 464 H LEU 63 H LEU 63 4.158 -4.913 10.072 465 HA LEU 63 HA LEU 63 6.286 -3.269 11.182 466 HB2 LEU 63 HB2 LEU 63 4.017 -2.661 9.291 467 HB3 LEU 63 HB3 LEU 63 5.151 -1.455 9.862 468 HG LEU 63 HG LEU 63 5.973 -3.906 8.298 469 HD11 LEU 63 HD11 LEU 63 6.200 -2.402 6.386 470 HD12 LEU 63 HD12 LEU 63 5.507 -1.087 7.333 471 HD13 LEU 63 HD13 LEU 63 4.525 -2.497 6.935 472 HD21 LEU 63 HD21 LEU 63 8.063 -2.705 8.012 473 HD22 LEU 63 HD22 LEU 63 7.708 -2.913 9.726 474 HD23 LEU 63 HD23 LEU 63 7.439 -1.351 8.954 475 HA PRO 64 HA PRO 64 3.946 -1.836 14.676 476 HB2 PRO 64 HB2 PRO 64 5.294 0.760 14.225 477 HB3 PRO 64 HB3 PRO 64 5.310 -0.282 15.652 478 HG2 PRO 64 HG2 PRO 64 7.448 -0.081 14.066 479 HG3 PRO 64 HG3 PRO 64 7.001 -1.624 14.818 480 HD2 PRO 64 HD2 PRO 64 6.585 -0.687 12.005 481 HD3 PRO 64 HD3 PRO 64 7.060 -2.292 12.602 482 H GLN 65 H GLN 65 2.342 -0.282 15.273 483 HA GLN 65 HA GLN 65 0.463 0.162 13.277 484 HB2 GLN 65 HB2 GLN 65 0.657 1.514 15.967 485 HB3 GLN 65 HB3 GLN 65 -0.769 1.506 14.939 486 HG2 GLN 65 HG2 GLN 65 -0.771 -0.987 15.098 487 HG3 GLN 65 HG3 GLN 65 0.523 -0.854 16.286 488 HE21 GLN 65 HE21 GLN 65 -2.836 -0.358 15.636 489 HE22 GLN 65 HE22 GLN 65 -3.329 -0.056 17.266 490 HA PRO 66 HA PRO 66 1.613 4.940 13.290 491 HB2 PRO 66 HB2 PRO 66 4.305 5.346 13.819 492 HB3 PRO 66 HB3 PRO 66 2.990 5.667 14.953 493 HG2 PRO 66 HG2 PRO 66 4.796 3.292 14.762 494 HG3 PRO 66 HG3 PRO 66 4.184 4.126 16.204 495 HD2 PRO 66 HD2 PRO 66 3.139 1.802 15.396 496 HD3 PRO 66 HD3 PRO 66 2.116 3.082 16.081 497 H VAL 67 H VAL 67 4.118 2.550 12.644 498 HA VAL 67 HA VAL 67 5.192 3.650 10.286 499 HB VAL 67 HB VAL 67 5.024 0.792 11.255 500 HG11 VAL 67 HG11 VAL 67 6.847 0.312 9.713 501 HG12 VAL 67 HG12 VAL 67 6.733 1.947 9.061 502 HG13 VAL 67 HG13 VAL 67 5.394 0.818 8.854 503 HG21 VAL 67 HG21 VAL 67 7.239 2.834 11.397 504 HG22 VAL 67 HG22 VAL 67 7.334 1.166 11.961 505 HG23 VAL 67 HG23 VAL 67 6.230 2.298 12.742 506 H LEU 68 H LEU 68 2.557 1.361 10.854 507 HA LEU 68 HA LEU 68 1.934 0.899 8.121 508 HB2 LEU 68 HB2 LEU 68 0.257 0.612 10.615 509 HB3 LEU 68 HB3 LEU 68 -0.197 0.007 9.035 510 HG LEU 68 HG LEU 68 2.221 -0.895 10.594 511 HD11 LEU 68 HD11 LEU 68 -0.441 -2.236 10.148 512 HD12 LEU 68 HD12 LEU 68 0.154 -1.580 11.673 513 HD13 LEU 68 HD13 LEU 68 0.962 -2.963 10.934 514 HD21 LEU 68 HD21 LEU 68 2.332 -2.668 8.908 515 HD22 LEU 68 HD22 LEU 68 2.527 -1.071 8.188 516 HD23 LEU 68 HD23 LEU 68 0.989 -1.922 8.041 517 H ALA 69 H ALA 69 0.525 2.979 10.604 518 HA ALA 69 HA ALA 69 -1.533 4.091 9.067 519 HB1 ALA 69 HB1 ALA 69 -0.044 5.348 11.373 520 HB2 ALA 69 HB2 ALA 69 -1.416 4.251 11.513 521 HB3 ALA 69 HB3 ALA 69 -1.628 5.834 10.765 522 H GLN 70 H GLN 70 1.861 4.930 9.343 523 HA GLN 70 HA GLN 70 1.829 7.418 8.076 524 HB2 GLN 70 HB2 GLN 70 3.731 6.252 9.315 525 HB3 GLN 70 HB3 GLN 70 4.007 5.334 7.845 526 HG2 GLN 70 HG2 GLN 70 3.937 8.270 7.578 527 HG3 GLN 70 HG3 GLN 70 5.298 7.577 8.451 528 HE21 GLN 70 HE21 GLN 70 3.693 7.855 5.392 529 HE22 GLN 70 HE22 GLN 70 4.981 7.224 4.428 530 H ILE 71 H ILE 71 1.997 4.138 6.767 531 HA ILE 71 HA ILE 71 2.249 5.007 4.041 532 HB ILE 71 HB ILE 71 1.680 2.330 5.301 533 HG12 ILE 71 HG12 ILE 71 3.969 3.238 3.558 534 HG13 ILE 71 HG13 ILE 71 3.985 3.373 5.308 535 HG21 ILE 71 HG21 ILE 71 0.413 2.409 3.217 536 HG22 ILE 71 HG22 ILE 71 1.794 1.321 3.073 537 HG23 ILE 71 HG23 ILE 71 1.856 2.929 2.348 538 HD11 ILE 71 HD11 ILE 71 3.775 0.965 5.505 539 HD12 ILE 71 HD12 ILE 71 5.187 1.411 4.546 540 HD13 ILE 71 HD13 ILE 71 3.727 0.821 3.750 541 H TRP 72 H TRP 72 -0.411 3.914 6.102 542 HA TRP 72 HA TRP 72 -2.360 3.876 4.064 543 HB2 TRP 72 HB2 TRP 72 -2.644 2.791 6.277 544 HB3 TRP 72 HB3 TRP 72 -2.785 4.386 7.010 545 HD1 TRP 72 HD1 TRP 72 -4.520 3.586 3.687 546 HE1 TRP 72 HE1 TRP 72 -7.062 3.651 4.054 547 HE3 TRP 72 HE3 TRP 72 -4.587 4.131 8.753 548 HZ2 TRP 72 HZ2 TRP 72 -8.862 3.841 6.208 549 HZ3 TRP 72 HZ3 TRP 72 -6.767 4.220 9.905 550 HH2 TRP 72 HH2 TRP 72 -8.860 4.082 8.647 551 H ALA 73 H ALA 73 -1.246 6.423 6.261 552 HA ALA 73 HA ALA 73 -3.254 8.289 5.604 553 HB1 ALA 73 HB1 ALA 73 -0.441 8.812 6.570 554 HB2 ALA 73 HB2 ALA 73 -1.846 8.509 7.591 555 HB3 ALA 73 HB3 ALA 73 -1.775 9.965 6.597 556 H LEU 74 H LEU 74 -0.532 7.159 3.906 557 HA LEU 74 HA LEU 74 -0.354 9.431 2.105 558 HB2 LEU 74 HB2 LEU 74 1.218 6.968 2.618 559 HB3 LEU 74 HB3 LEU 74 1.292 7.648 1.006 560 HG LEU 74 HG LEU 74 2.007 9.111 3.548 561 HD11 LEU 74 HD11 LEU 74 3.705 7.968 1.336 562 HD12 LEU 74 HD12 LEU 74 3.616 7.379 2.997 563 HD13 LEU 74 HD13 LEU 74 4.287 8.975 2.664 564 HD21 LEU 74 HD21 LEU 74 1.096 10.585 1.836 565 HD22 LEU 74 HD22 LEU 74 2.213 9.910 0.649 566 HD23 LEU 74 HD23 LEU 74 2.831 10.831 2.021 567 H ALA 75 H ALA 75 -1.551 6.128 2.127 568 HA ALA 75 HA ALA 75 -1.521 5.733 -0.663 569 HB1 ALA 75 HB1 ALA 75 -3.232 4.347 1.402 570 HB2 ALA 75 HB2 ALA 75 -1.587 3.896 0.955 571 HB3 ALA 75 HB3 ALA 75 -2.886 3.767 -0.229 572 H ASP 76 H ASP 76 -4.472 6.126 1.397 573 HA ASP 76 HA ASP 76 -5.852 7.070 -0.950 574 HB2 ASP 76 HB2 ASP 76 -7.821 7.256 0.543 575 HB3 ASP 76 HB3 ASP 76 -7.150 5.644 0.476 576 H MET 77 H MET 77 -5.036 8.888 -1.552 577 HA MET 77 HA MET 77 -3.954 10.891 0.066 578 HB2 MET 77 HB2 MET 77 -4.904 10.893 -2.793 579 HB3 MET 77 HB3 MET 77 -4.108 12.276 -2.052 580 HG2 MET 77 HG2 MET 77 -2.092 11.120 -1.787 581 HG3 MET 77 HG3 MET 77 -2.855 9.555 -2.055 582 HE1 MET 77 HE1 MET 77 -4.549 9.720 -4.567 583 HE2 MET 77 HE2 MET 77 -3.312 8.489 -4.308 584 HE3 MET 77 HE3 MET 77 -3.376 9.368 -5.837 585 H ASN 78 H ASN 78 -7.222 10.395 -1.075 586 HA ASN 78 HA ASN 78 -8.096 13.026 -0.232 587 HB2 ASN 78 HB2 ASN 78 -10.313 12.325 -0.879 588 HB3 ASN 78 HB3 ASN 78 -9.186 11.806 -2.125 589 HD21 ASN 78 HD21 ASN 78 -11.860 10.833 -1.367 590 HD22 ASN 78 HD22 ASN 78 -11.671 9.141 -1.067 591 H ASN 79 H ASN 79 -7.245 10.255 1.277 592 HA ASN 79 HA ASN 79 -7.678 9.156 3.196 593 HB2 ASN 79 HB2 ASN 79 -6.771 11.395 3.991 594 HB3 ASN 79 HB3 ASN 79 -8.441 11.849 4.333 595 HD21 ASN 79 HD21 ASN 79 -7.144 8.619 4.674 596 HD22 ASN 79 HD22 ASN 79 -7.238 8.552 6.401 597 H ASP 80 H ASP 80 -9.472 8.210 2.063 598 HA ASP 80 HA ASP 80 -12.121 9.059 2.936 599 HB2 ASP 80 HB2 ASP 80 -11.665 8.361 0.567 600 HB3 ASP 80 HB3 ASP 80 -11.349 6.735 1.161 601 H GLY 81 H GLY 81 -9.616 6.873 3.731 602 HA2 GLY 81 HA2 GLY 81 -9.431 5.405 5.505 603 HA3 GLY 81 HA3 GLY 81 -11.044 5.891 6.013 604 H ARG 82 H ARG 82 -10.088 4.505 2.916 605 HA ARG 82 HA ARG 82 -11.796 2.194 3.531 606 HB2 ARG 82 HB2 ARG 82 -12.454 2.154 1.150 607 HB3 ARG 82 HB3 ARG 82 -12.928 3.636 1.958 608 HG2 ARG 82 HG2 ARG 82 -11.006 4.790 0.957 609 HG3 ARG 82 HG3 ARG 82 -10.575 3.300 0.115 610 HD2 ARG 82 HD2 ARG 82 -13.167 4.804 -0.198 611 HD3 ARG 82 HD3 ARG 82 -11.809 4.867 -1.318 612 HE ARG 82 HE ARG 82 -12.277 2.282 -1.356 613 HH11 ARG 82 HH11 ARG 82 -14.563 4.932 -1.399 614 HH12 ARG 82 HH12 ARG 82 -15.769 4.047 -2.281 615 HH21 ARG 82 HH21 ARG 82 -13.843 1.119 -2.574 616 HH22 ARG 82 HH22 ARG 82 -15.363 1.890 -2.953 617 H MET 83 H MET 83 -9.178 3.318 1.509 618 HA MET 83 HA MET 83 -7.570 2.300 0.301 619 HB2 MET 83 HB2 MET 83 -6.597 1.758 2.466 620 HB3 MET 83 HB3 MET 83 -7.594 0.313 2.574 621 HG2 MET 83 HG2 MET 83 -6.445 -0.728 0.787 622 HG3 MET 83 HG3 MET 83 -5.616 0.767 0.365 623 HE1 MET 83 HE1 MET 83 -4.611 1.951 3.045 624 HE2 MET 83 HE2 MET 83 -3.595 1.759 1.616 625 HE3 MET 83 HE3 MET 83 -3.022 1.197 3.187 626 H ASP 84 H ASP 84 -9.071 1.929 -1.329 627 HA ASP 84 HA ASP 84 -10.231 -0.716 -1.611 628 HB2 ASP 84 HB2 ASP 84 -11.136 1.601 -2.450 629 HB3 ASP 84 HB3 ASP 84 -10.033 1.343 -3.795 630 H GLN 85 H GLN 85 -9.780 -1.396 -4.199 631 HA GLN 85 HA GLN 85 -7.126 -2.423 -4.060 632 HB2 GLN 85 HB2 GLN 85 -7.622 -3.259 -6.407 633 HB3 GLN 85 HB3 GLN 85 -8.663 -3.843 -5.119 634 HG2 GLN 85 HG2 GLN 85 -9.891 -1.530 -6.135 635 HG3 GLN 85 HG3 GLN 85 -9.348 -2.467 -7.530 636 HE21 GLN 85 HE21 GLN 85 -11.436 -2.393 -4.750 637 HE22 GLN 85 HE22 GLN 85 -12.377 -3.782 -5.176 638 H VAL 86 H VAL 86 -8.499 0.425 -5.327 639 HA VAL 86 HA VAL 86 -6.446 1.135 -7.160 640 HB VAL 86 HB VAL 86 -8.190 3.010 -5.544 641 HG11 VAL 86 HG11 VAL 86 -7.835 4.550 -7.420 642 HG12 VAL 86 HG12 VAL 86 -6.757 3.373 -8.169 643 HG13 VAL 86 HG13 VAL 86 -6.321 4.109 -6.628 644 HG21 VAL 86 HG21 VAL 86 -8.755 1.751 -8.230 645 HG22 VAL 86 HG22 VAL 86 -9.744 2.979 -7.438 646 HG23 VAL 86 HG23 VAL 86 -9.581 1.378 -6.718 647 H GLU 87 H GLU 87 -7.070 2.171 -3.790 648 HA GLU 87 HA GLU 87 -4.620 3.523 -3.481 649 HB2 GLU 87 HB2 GLU 87 -6.447 2.331 -1.389 650 HB3 GLU 87 HB3 GLU 87 -5.060 3.344 -1.019 651 HG2 GLU 87 HG2 GLU 87 -6.828 4.821 -0.920 652 HG3 GLU 87 HG3 GLU 87 -6.188 5.079 -2.540 653 H PHE 88 H PHE 88 -5.605 0.215 -2.654 654 HA PHE 88 HA PHE 88 -3.252 -0.611 -1.419 655 HB2 PHE 88 HB2 PHE 88 -5.357 -1.929 -1.483 656 HB3 PHE 88 HB3 PHE 88 -5.052 -2.287 -3.180 657 HD1 PHE 88 HD1 PHE 88 -3.624 -2.680 0.213 658 HD2 PHE 88 HD2 PHE 88 -3.759 -4.121 -3.782 659 HE1 PHE 88 HE1 PHE 88 -2.294 -4.638 0.885 660 HE2 PHE 88 HE2 PHE 88 -2.431 -6.085 -3.124 661 HZ PHE 88 HZ PHE 88 -1.697 -6.343 -0.791 662 H SER 89 H SER 89 -3.971 -0.178 -4.816 663 HA SER 89 HA SER 89 -1.921 -1.788 -5.869 664 HB2 SER 89 HB2 SER 89 -3.822 -0.962 -7.214 665 HB3 SER 89 HB3 SER 89 -3.173 0.675 -7.109 666 HG SER 89 HG SER 89 -1.185 -0.421 -8.044 667 H ILE 90 H ILE 90 -1.909 1.470 -4.596 668 HA ILE 90 HA ILE 90 0.821 1.871 -5.580 669 HB ILE 90 HB ILE 90 -0.828 3.686 -5.946 670 HG12 ILE 90 HG12 ILE 90 1.367 4.505 -4.035 671 HG13 ILE 90 HG13 ILE 90 1.622 4.133 -5.739 672 HG21 ILE 90 HG21 ILE 90 -0.798 3.958 -2.946 673 HG22 ILE 90 HG22 ILE 90 -2.158 3.409 -3.925 674 HG23 ILE 90 HG23 ILE 90 -1.573 5.065 -4.078 675 HD11 ILE 90 HD11 ILE 90 -0.123 6.340 -4.670 676 HD12 ILE 90 HD12 ILE 90 0.190 5.988 -6.370 677 HD13 ILE 90 HD13 ILE 90 1.502 6.533 -5.328 678 H ALA 91 H ALA 91 -0.980 1.231 -2.696 679 HA ALA 91 HA ALA 91 1.104 2.069 -0.884 680 HB1 ALA 91 HB1 ALA 91 -1.284 2.242 -0.293 681 HB2 ALA 91 HB2 ALA 91 -0.355 1.301 0.873 682 HB3 ALA 91 HB3 ALA 91 -1.388 0.480 -0.296 683 H MET 92 H MET 92 0.239 -0.843 -2.531 684 HA MET 92 HA MET 92 1.170 -2.783 -0.767 685 HB2 MET 92 HB2 MET 92 1.381 -4.266 -2.688 686 HB3 MET 92 HB3 MET 92 -0.100 -3.323 -2.801 687 HG2 MET 92 HG2 MET 92 0.841 -1.905 -4.463 688 HG3 MET 92 HG3 MET 92 2.444 -2.599 -4.227 689 HE1 MET 92 HE1 MET 92 1.164 -2.258 -7.088 690 HE2 MET 92 HE2 MET 92 1.591 -3.810 -7.809 691 HE3 MET 92 HE3 MET 92 2.746 -2.969 -6.778 692 H LYS 93 H LYS 93 2.988 -0.814 -3.085 693 HA LYS 93 HA LYS 93 5.404 -2.303 -2.516 694 HB2 LYS 93 HB2 LYS 93 6.509 -0.752 -4.095 695 HB3 LYS 93 HB3 LYS 93 5.128 -1.580 -4.792 696 HG2 LYS 93 HG2 LYS 93 3.772 0.422 -4.527 697 HG3 LYS 93 HG3 LYS 93 5.136 1.256 -3.776 698 HD2 LYS 93 HD2 LYS 93 5.128 0.122 -6.578 699 HD3 LYS 93 HD3 LYS 93 4.867 1.820 -6.173 700 HE2 LYS 93 HE2 LYS 93 7.082 1.995 -5.255 701 HE3 LYS 93 HE3 LYS 93 7.343 0.263 -5.440 702 HZ1 LYS 93 HZ1 LYS 93 6.857 2.091 -7.731 703 HZ2 LYS 93 HZ2 LYS 93 7.377 0.479 -7.792 704 HZ3 LYS 93 HZ3 LYS 93 8.401 1.681 -7.174 705 H LEU 94 H LEU 94 3.788 0.412 -1.241 706 HA LEU 94 HA LEU 94 6.046 1.699 -0.088 707 HB2 LEU 94 HB2 LEU 94 3.222 2.087 -0.099 708 HB3 LEU 94 HB3 LEU 94 3.758 2.041 1.565 709 HG LEU 94 HG LEU 94 5.419 3.786 1.059 710 HD11 LEU 94 HD11 LEU 94 5.212 5.051 -1.043 711 HD12 LEU 94 HD12 LEU 94 4.065 3.848 -1.633 712 HD13 LEU 94 HD13 LEU 94 5.735 3.386 -1.304 713 HD21 LEU 94 HD21 LEU 94 2.575 4.516 0.366 714 HD22 LEU 94 HD22 LEU 94 3.826 5.634 0.909 715 HD23 LEU 94 HD23 LEU 94 3.236 4.372 1.993 716 H ILE 95 H ILE 95 3.758 -0.767 0.996 717 HA ILE 95 HA ILE 95 4.813 -1.175 3.563 718 HB ILE 95 HB ILE 95 3.555 -3.221 1.714 719 HG12 ILE 95 HG12 ILE 95 2.137 -1.221 2.183 720 HG13 ILE 95 HG13 ILE 95 1.452 -2.723 2.794 721 HG21 ILE 95 HG21 ILE 95 4.757 -4.296 3.531 722 HG22 ILE 95 HG22 ILE 95 3.016 -4.466 3.761 723 HG23 ILE 95 HG23 ILE 95 3.919 -3.284 4.707 724 HD11 ILE 95 HD11 ILE 95 2.910 -0.650 4.420 725 HD12 ILE 95 HD12 ILE 95 2.237 -2.159 5.040 726 HD13 ILE 95 HD13 ILE 95 1.167 -0.916 4.385 727 H LYS 96 H LYS 96 5.644 -2.468 0.414 728 HA LYS 96 HA LYS 96 7.486 -4.424 1.179 729 HB2 LYS 96 HB2 LYS 96 6.428 -4.129 -1.079 730 HB3 LYS 96 HB3 LYS 96 7.528 -2.789 -1.360 731 HG2 LYS 96 HG2 LYS 96 8.719 -5.390 -0.594 732 HG3 LYS 96 HG3 LYS 96 8.022 -5.252 -2.208 733 HD2 LYS 96 HD2 LYS 96 9.428 -3.204 -2.544 734 HD3 LYS 96 HD3 LYS 96 10.218 -3.566 -1.005 735 HE2 LYS 96 HE2 LYS 96 10.976 -5.697 -1.859 736 HE3 LYS 96 HE3 LYS 96 10.103 -5.438 -3.367 737 HZ1 LYS 96 HZ1 LYS 96 12.378 -4.931 -3.736 738 HZ2 LYS 96 HZ2 LYS 96 12.462 -3.932 -2.371 739 HZ3 LYS 96 HZ3 LYS 96 11.546 -3.453 -3.715 740 H LEU 97 H LEU 97 8.022 -1.005 0.277 741 HA LEU 97 HA LEU 97 10.846 -1.214 0.754 742 HB2 LEU 97 HB2 LEU 97 10.873 1.234 0.386 743 HB3 LEU 97 HB3 LEU 97 10.140 0.329 -0.918 744 HG LEU 97 HG LEU 97 7.896 0.960 0.286 745 HD11 LEU 97 HD11 LEU 97 9.737 3.151 1.243 746 HD12 LEU 97 HD12 LEU 97 8.919 1.968 2.264 747 HD13 LEU 97 HD13 LEU 97 7.978 3.155 1.360 748 HD21 LEU 97 HD21 LEU 97 8.528 1.642 -1.965 749 HD22 LEU 97 HD22 LEU 97 9.519 2.943 -1.304 750 HD23 LEU 97 HD23 LEU 97 7.769 2.976 -1.094 751 H LYS 98 H LYS 98 8.072 -0.420 2.659 752 HA LYS 98 HA LYS 98 9.448 0.971 4.726 753 HB2 LYS 98 HB2 LYS 98 7.014 1.147 4.380 754 HB3 LYS 98 HB3 LYS 98 6.833 -0.540 4.836 755 HG2 LYS 98 HG2 LYS 98 6.224 0.861 6.684 756 HG3 LYS 98 HG3 LYS 98 7.711 -0.005 7.069 757 HD2 LYS 98 HD2 LYS 98 7.866 2.304 7.800 758 HD3 LYS 98 HD3 LYS 98 9.004 2.012 6.493 759 HE2 LYS 98 HE2 LYS 98 7.330 2.969 4.914 760 HE3 LYS 98 HE3 LYS 98 6.341 3.401 6.309 761 HZ1 LYS 98 HZ1 LYS 98 7.551 5.315 5.855 762 HZ2 LYS 98 HZ2 LYS 98 8.978 4.459 5.520 763 HZ3 LYS 98 HZ3 LYS 98 8.434 4.598 7.115 764 H LEU 99 H LEU 99 8.589 -2.401 4.163 765 HA LEU 99 HA LEU 99 9.587 -3.448 6.583 766 HB2 LEU 99 HB2 LEU 99 9.236 -4.639 3.841 767 HB3 LEU 99 HB3 LEU 99 9.841 -5.575 5.191 768 HG LEU 99 HG LEU 99 7.152 -4.199 5.152 769 HD11 LEU 99 HD11 LEU 99 7.245 -5.949 3.452 770 HD12 LEU 99 HD12 LEU 99 6.215 -6.428 4.801 771 HD13 LEU 99 HD13 LEU 99 7.841 -7.094 4.654 772 HD21 LEU 99 HD21 LEU 99 8.362 -6.246 7.008 773 HD22 LEU 99 HD22 LEU 99 6.704 -5.651 7.080 774 HD23 LEU 99 HD23 LEU 99 8.050 -4.551 7.384 775 H GLN 100 H GLN 100 11.148 -2.215 3.782 776 HA GLN 100 HA GLN 100 13.673 -3.513 4.409 777 HB2 GLN 100 HB2 GLN 100 13.094 -1.498 2.233 778 HB3 GLN 100 HB3 GLN 100 14.516 -2.522 2.375 779 HG2 GLN 100 HG2 GLN 100 11.698 -3.390 1.789 780 HG3 GLN 100 HG3 GLN 100 13.083 -3.431 0.700 781 HE21 GLN 100 HE21 GLN 100 11.271 -5.544 1.697 782 HE22 GLN 100 HE22 GLN 100 12.297 -6.753 2.389 783 H GLY 101 H GLY 101 11.997 -0.695 5.220 784 HA2 GLY 101 HA2 GLY 101 12.789 0.590 7.066 785 HA3 GLY 101 HA3 GLY 101 14.432 0.293 6.528 786 H TYR 102 H TYR 102 12.213 1.199 4.052 787 HA TYR 102 HA TYR 102 13.617 3.722 3.784 788 HB2 TYR 102 HB2 TYR 102 11.587 2.363 2.013 789 HB3 TYR 102 HB3 TYR 102 12.292 3.936 1.662 790 HD1 TYR 102 HD2 TYR 102 12.957 0.330 1.877 791 HD2 TYR 102 HD1 TYR 102 14.582 4.146 0.940 792 HE1 TYR 102 HE2 TYR 102 14.885 -0.758 0.814 793 HE2 TYR 102 HE1 TYR 102 16.521 3.068 -0.122 794 HH TYR 102 HH TYR 102 17.715 0.964 -0.065 795 H GLN 103 H GLN 103 12.413 5.705 3.291 796 HA GLN 103 HA GLN 103 9.953 5.929 4.885 797 HB2 GLN 103 HB2 GLN 103 11.832 6.433 6.385 798 HB3 GLN 103 HB3 GLN 103 12.435 7.625 5.242 799 HG2 GLN 103 HG2 GLN 103 10.222 8.821 5.544 800 HG3 GLN 103 HG3 GLN 103 9.944 7.744 6.912 801 HE21 GLN 103 HE21 GLN 103 11.200 7.970 8.765 802 HE22 GLN 103 HE22 GLN 103 12.162 9.383 9.055 803 H LEU 104 H LEU 104 8.581 7.548 4.252 804 HA LEU 104 HA LEU 104 9.489 9.666 2.523 805 HB2 LEU 104 HB2 LEU 104 7.846 9.327 0.783 806 HB3 LEU 104 HB3 LEU 104 8.868 7.913 0.900 807 HG LEU 104 HG LEU 104 6.118 8.046 2.136 808 HD11 LEU 104 HD11 LEU 104 5.941 8.416 -0.266 809 HD12 LEU 104 HD12 LEU 104 5.335 6.821 0.175 810 HD13 LEU 104 HD13 LEU 104 6.926 6.985 -0.568 811 HD21 LEU 104 HD21 LEU 104 7.893 5.718 1.392 812 HD22 LEU 104 HD22 LEU 104 6.283 5.612 2.101 813 HD23 LEU 104 HD23 LEU 104 7.609 6.313 3.027 814 HA PRO 105 HA PRO 105 6.661 11.723 5.156 815 HB2 PRO 105 HB2 PRO 105 6.446 13.969 3.359 816 HB3 PRO 105 HB3 PRO 105 7.414 13.827 4.826 817 HG2 PRO 105 HG2 PRO 105 8.464 13.992 2.297 818 HG3 PRO 105 HG3 PRO 105 9.296 13.252 3.675 819 HD2 PRO 105 HD2 PRO 105 7.809 11.952 1.430 820 HD3 PRO 105 HD3 PRO 105 9.303 11.439 2.244 821 H SER 106 H SER 106 4.711 13.495 4.689 822 HA SER 106 HA SER 106 2.562 11.791 3.868 823 HB2 SER 106 HB2 SER 106 1.170 13.779 4.524 824 HB3 SER 106 HB3 SER 106 2.272 13.212 5.777 825 HG SER 106 HG SER 106 2.108 15.633 4.757 826 H ALA 107 H ALA 107 4.628 13.652 2.158 827 HA ALA 107 HA ALA 107 2.687 14.400 0.110 828 HB1 ALA 107 HB1 ALA 107 4.529 15.534 -1.001 829 HB2 ALA 107 HB2 ALA 107 5.663 14.899 0.191 830 HB3 ALA 107 HB3 ALA 107 4.417 16.046 0.683 831 H LEU 108 H LEU 108 2.067 12.440 -0.760 832 HA LEU 108 HA LEU 108 3.763 10.309 -1.413 833 HB2 LEU 108 HB2 LEU 108 1.175 10.497 -1.194 834 HB3 LEU 108 HB3 LEU 108 1.221 10.996 -2.871 835 HG LEU 108 HG LEU 108 2.305 8.844 -3.423 836 HD11 LEU 108 HD11 LEU 108 3.304 8.314 -1.287 837 HD12 LEU 108 HD12 LEU 108 2.213 7.021 -1.784 838 HD13 LEU 108 HD13 LEU 108 1.706 8.180 -0.554 839 HD21 LEU 108 HD21 LEU 108 0.283 7.509 -3.242 840 HD22 LEU 108 HD22 LEU 108 -0.099 9.174 -3.683 841 HD23 LEU 108 HD23 LEU 108 -0.346 8.621 -2.027 842 HA PRO 109 HA PRO 109 5.957 11.990 -4.828 843 HB2 PRO 109 HB2 PRO 109 5.953 9.297 -6.060 844 HB3 PRO 109 HB3 PRO 109 7.316 10.297 -5.543 845 HG2 PRO 109 HG2 PRO 109 6.601 8.130 -4.154 846 HG3 PRO 109 HG3 PRO 109 7.161 9.602 -3.337 847 HD2 PRO 109 HD2 PRO 109 4.364 8.591 -3.706 848 HD3 PRO 109 HD3 PRO 109 5.119 9.315 -2.270 849 HA PRO 110 HA PRO 110 3.056 12.673 -8.090 850 HB2 PRO 110 HB2 PRO 110 5.181 13.702 -9.769 851 HB3 PRO 110 HB3 PRO 110 3.928 14.597 -8.909 852 HG2 PRO 110 HG2 PRO 110 6.572 14.701 -8.254 853 HG3 PRO 110 HG3 PRO 110 5.262 14.968 -7.091 854 HD2 PRO 110 HD2 PRO 110 6.921 12.518 -7.547 855 HD3 PRO 110 HD3 PRO 110 6.352 13.230 -6.021 856 H VAL 111 H VAL 111 5.990 10.889 -8.628 857 HA VAL 111 HA VAL 111 5.333 10.097 -11.315 858 HB VAL 111 HB VAL 111 7.378 8.788 -9.521 859 HG11 VAL 111 HG11 VAL 111 6.935 7.628 -11.606 860 HG12 VAL 111 HG12 VAL 111 8.540 8.356 -11.641 861 HG13 VAL 111 HG13 VAL 111 7.210 9.114 -12.516 862 HG21 VAL 111 HG21 VAL 111 7.689 11.296 -11.168 863 HG22 VAL 111 HG22 VAL 111 9.015 10.407 -10.420 864 HG23 VAL 111 HG23 VAL 111 7.784 11.167 -9.413 865 H MET 112 H MET 112 4.648 8.951 -8.135 866 HA MET 112 HA MET 112 4.061 6.254 -8.991 867 HB2 MET 112 HB2 MET 112 3.635 7.640 -6.344 868 HB3 MET 112 HB3 MET 112 3.251 5.951 -6.647 869 HG2 MET 112 HG2 MET 112 5.642 5.602 -7.268 870 HG3 MET 112 HG3 MET 112 5.960 7.248 -6.721 871 HE1 MET 112 HE1 MET 112 3.483 4.580 -5.215 872 HE2 MET 112 HE2 MET 112 4.503 3.833 -3.986 873 HE3 MET 112 HE3 MET 112 4.888 3.628 -5.696 874 H LYS 113 H LYS 113 2.254 9.179 -8.150 875 HA LYS 113 HA LYS 113 -0.294 7.902 -8.500 876 HB2 LYS 113 HB2 LYS 113 -1.229 10.192 -8.406 877 HB3 LYS 113 HB3 LYS 113 -0.166 9.839 -7.052 878 HG2 LYS 113 HG2 LYS 113 1.488 11.261 -7.800 879 HG3 LYS 113 HG3 LYS 113 0.916 11.217 -9.467 880 HD2 LYS 113 HD2 LYS 113 0.439 13.372 -8.465 881 HD3 LYS 113 HD3 LYS 113 -1.063 12.516 -8.809 882 HE2 LYS 113 HE2 LYS 113 -1.291 11.905 -6.482 883 HE3 LYS 113 HE3 LYS 113 0.283 12.609 -6.109 884 HZ1 LYS 113 HZ1 LYS 113 -1.544 14.094 -5.504 885 HZ2 LYS 113 HZ2 LYS 113 -2.071 14.123 -7.117 886 HZ3 LYS 113 HZ3 LYS 113 -0.566 14.780 -6.707 887 H GLN 114 H GLN 114 2.061 9.270 -10.554 888 HA GLN 114 HA GLN 114 2.186 9.803 -12.751 889 HB2 GLN 114 HB2 GLN 114 -0.233 8.003 -13.038 890 HB3 GLN 114 HB3 GLN 114 0.885 8.465 -14.313 891 HG2 GLN 114 HG2 GLN 114 2.691 7.292 -13.067 892 HG3 GLN 114 HG3 GLN 114 1.468 6.719 -11.934 893 HE21 GLN 114 HE21 GLN 114 3.216 5.180 -13.649 894 HE22 GLN 114 HE22 GLN 114 2.193 4.242 -14.683 895 H GLN 115 H GLN 115 0.030 10.088 -14.660 896 HA GLN 115 HA GLN 115 -1.440 12.324 -13.444 897 HB2 GLN 115 HB2 GLN 115 0.022 12.918 -15.384 898 HB3 GLN 115 HB3 GLN 115 -0.951 11.849 -16.390 899 HG2 GLN 115 HG2 GLN 115 -2.932 13.219 -15.886 900 HG3 GLN 115 HG3 GLN 115 -1.917 14.308 -14.943 901 HE21 GLN 115 HE21 GLN 115 -2.348 16.074 -16.231 902 HE22 GLN 115 HE22 GLN 115 -1.754 16.219 -17.857 903 HA PRO 116 HA PRO 116 -4.706 9.237 -13.825 904 HB2 PRO 116 HB2 PRO 116 -6.467 10.562 -12.230 905 HB3 PRO 116 HB3 PRO 116 -5.157 9.561 -11.594 906 HG2 PRO 116 HG2 PRO 116 -5.292 12.533 -11.911 907 HG3 PRO 116 HG3 PRO 116 -4.662 11.579 -10.556 908 HD2 PRO 116 HD2 PRO 116 -3.048 12.709 -12.417 909 HD3 PRO 116 HD3 PRO 116 -2.651 11.177 -11.610 910 H VAL 117 H VAL 117 -6.824 9.239 -14.773 911 HA VAL 117 HA VAL 117 -7.259 11.490 -16.554 912 HB VAL 117 HB VAL 117 -9.141 10.082 -17.471 913 HG11 VAL 117 HG11 VAL 117 -6.356 8.921 -17.535 914 HG12 VAL 117 HG12 VAL 117 -6.968 10.220 -18.559 915 HG13 VAL 117 HG13 VAL 117 -7.635 8.594 -18.707 916 HG21 VAL 117 HG21 VAL 117 -9.094 7.675 -16.969 917 HG22 VAL 117 HG22 VAL 117 -9.517 8.632 -15.549 918 HG23 VAL 117 HG23 VAL 117 -7.891 7.968 -15.711 919 H ALA 118 H ALA 118 -8.155 13.156 -15.588 920 HA ALA 118 HA ALA 118 -10.548 12.676 -13.942 921 HB1 ALA 118 HB1 ALA 118 -9.876 14.585 -12.532 922 HB2 ALA 118 HB2 ALA 118 -8.370 14.705 -13.443 923 HB3 ALA 118 HB3 ALA 118 -8.709 13.264 -12.483 924 H ILE 119 H ILE 119 -12.008 13.143 -15.519 925 HA ILE 119 HA ILE 119 -12.015 15.941 -16.440 926 HB ILE 119 HB ILE 119 -13.342 13.629 -17.884 927 HG12 ILE 119 HG12 ILE 119 -11.569 14.293 -19.678 928 HG13 ILE 119 HG13 ILE 119 -10.683 14.961 -18.315 929 HG21 ILE 119 HG21 ILE 119 -14.458 15.763 -18.198 930 HG22 ILE 119 HG22 ILE 119 -13.654 15.261 -19.685 931 HG23 ILE 119 HG23 ILE 119 -12.931 16.511 -18.670 932 HD11 ILE 119 HD11 ILE 119 -10.641 12.771 -17.258 933 HD12 ILE 119 HD12 ILE 119 -9.928 12.720 -18.870 934 HD13 ILE 119 HD13 ILE 119 -11.556 12.098 -18.607 935 H SER 120 H SER 120 -13.028 16.369 -14.398 936 HA SER 120 HA SER 120 -15.703 15.225 -14.031 937 HB2 SER 120 HB2 SER 120 -13.929 15.201 -12.187 938 HB3 SER 120 HB3 SER 120 -14.176 16.943 -12.074 939 HG SER 120 HG SER 120 -16.410 16.496 -11.648 940 H SER 121 H SER 121 -14.187 17.940 -15.262 941 HA SER 121 HA SER 121 -16.265 19.819 -14.561 942 HB2 SER 121 HB2 SER 121 -14.956 21.310 -16.183 943 HB3 SER 121 HB3 SER 121 -14.102 20.785 -14.732 944 HG SER 121 HG SER 121 -13.682 20.128 -17.400 Start of MODEL 16 1 H1 MET 1 H1 MET 1 66.703 -33.710 -38.151 2 H2 MET 1 H2 MET 1 65.037 -33.415 -38.057 3 H3 MET 1 H3 MET 1 65.967 -33.478 -36.639 4 HA MET 1 HA MET 1 67.134 -31.506 -37.213 5 HB2 MET 1 HB2 MET 1 65.487 -31.626 -39.746 6 HB3 MET 1 HB3 MET 1 66.361 -30.194 -39.222 7 HG2 MET 1 HG2 MET 1 68.453 -31.531 -39.260 8 HG3 MET 1 HG3 MET 1 67.530 -32.860 -39.958 9 HE1 MET 1 HE1 MET 1 67.002 -29.040 -40.645 10 HE2 MET 1 HE2 MET 1 68.050 -28.773 -42.038 11 HE3 MET 1 HE3 MET 1 68.753 -29.157 -40.465 12 H GLY 2 H GLY 2 66.357 -30.240 -35.684 13 HA2 GLY 2 HA2 GLY 2 64.299 -28.496 -35.854 14 HA3 GLY 2 HA3 GLY 2 63.503 -29.959 -35.290 15 H HIS 3 H HIS 3 64.813 -27.148 -34.290 16 HA HIS 3 HA HIS 3 65.806 -28.256 -31.759 17 HB2 HIS 3 HB2 HIS 3 66.161 -25.528 -33.011 18 HB3 HIS 3 HB3 HIS 3 66.660 -25.914 -31.366 19 HD1 HIS 3 HD1 HIS 3 67.883 -25.904 -34.762 20 HD2 HIS 3 HD2 HIS 3 68.605 -28.167 -31.347 21 HE1 HIS 3 HE1 HIS 3 70.072 -27.066 -35.169 22 HE2 HIS 3 HE2 HIS 3 70.353 -28.618 -33.205 23 H HIS 4 H HIS 4 64.285 -28.520 -30.366 24 HA HIS 4 HA HIS 4 61.741 -27.273 -30.577 25 HB2 HIS 4 HB2 HIS 4 62.156 -29.593 -29.758 26 HB3 HIS 4 HB3 HIS 4 62.865 -28.911 -28.301 27 HD1 HIS 4 HD1 HIS 4 61.276 -27.972 -26.526 28 HD2 HIS 4 HD2 HIS 4 59.349 -29.425 -29.916 29 HE1 HIS 4 HE1 HIS 4 58.840 -28.103 -25.922 30 HE2 HIS 4 HE2 HIS 4 57.732 -29.171 -27.915 31 H HIS 5 H HIS 5 60.816 -25.668 -29.425 32 HA HIS 5 HA HIS 5 62.270 -24.598 -27.116 33 HB2 HIS 5 HB2 HIS 5 61.544 -22.281 -27.792 34 HB3 HIS 5 HB3 HIS 5 62.792 -22.997 -28.798 35 HD1 HIS 5 HD1 HIS 5 62.317 -23.194 -31.264 36 HD2 HIS 5 HD2 HIS 5 58.965 -22.117 -29.053 37 HE1 HIS 5 HE1 HIS 5 60.573 -22.545 -32.950 38 HE2 HIS 5 HE2 HIS 5 58.657 -21.656 -31.581 39 H HIS 6 H HIS 6 61.066 -24.490 -25.376 40 HA HIS 6 HA HIS 6 58.257 -25.235 -25.624 41 HB2 HIS 6 HB2 HIS 6 59.856 -26.517 -24.183 42 HB3 HIS 6 HB3 HIS 6 59.998 -25.099 -23.155 43 HD1 HIS 6 HD1 HIS 6 58.817 -25.629 -21.079 44 HD2 HIS 6 HD2 HIS 6 56.713 -26.940 -24.417 45 HE1 HIS 6 HE1 HIS 6 56.690 -26.645 -20.188 46 HE2 HIS 6 HE2 HIS 6 55.563 -27.641 -22.203 47 H HIS 7 H HIS 7 56.706 -23.794 -25.446 48 HA HIS 7 HA HIS 7 57.364 -21.070 -24.671 49 HB2 HIS 7 HB2 HIS 7 56.136 -21.486 -26.749 50 HB3 HIS 7 HB3 HIS 7 54.840 -22.258 -25.847 51 HD1 HIS 7 HD1 HIS 7 52.926 -20.792 -25.327 52 HD2 HIS 7 HD2 HIS 7 56.415 -18.616 -25.960 53 HE1 HIS 7 HE1 HIS 7 52.245 -18.372 -25.227 54 HE2 HIS 7 HE2 HIS 7 54.395 -17.074 -25.479 55 H HIS 8 H HIS 8 56.634 -19.998 -22.928 56 HA HIS 8 HA HIS 8 54.539 -21.245 -21.280 57 HB2 HIS 8 HB2 HIS 8 57.209 -20.195 -20.413 58 HB3 HIS 8 HB3 HIS 8 55.834 -20.082 -19.319 59 HD1 HIS 8 HD1 HIS 8 54.564 -22.562 -19.044 60 HD2 HIS 8 HD2 HIS 8 58.588 -22.479 -20.075 61 HE1 HIS 8 HE1 HIS 8 55.467 -24.818 -18.406 62 HE2 HIS 8 HE2 HIS 8 57.954 -24.642 -18.790 63 H SER 9 H SER 9 53.049 -19.855 -20.401 64 HA SER 9 HA SER 9 53.473 -17.022 -20.314 65 HB2 SER 9 HB2 SER 9 51.592 -18.174 -22.378 66 HB3 SER 9 HB3 SER 9 51.450 -16.521 -21.782 67 HG SER 9 HG SER 9 53.993 -17.236 -22.566 68 H HIS 10 H HIS 10 51.903 -15.918 -19.134 69 HA HIS 10 HA HIS 10 49.739 -17.544 -17.955 70 HB2 HIS 10 HB2 HIS 10 51.363 -15.456 -16.471 71 HB3 HIS 10 HB3 HIS 10 50.060 -16.431 -15.812 72 HD1 HIS 10 HD1 HIS 10 53.516 -16.204 -15.582 73 HD2 HIS 10 HD2 HIS 10 50.918 -19.391 -16.213 74 HE1 HIS 10 HE1 HIS 10 54.790 -18.261 -14.906 75 HE2 HIS 10 HE2 HIS 10 53.160 -20.159 -15.167 76 H MET 11 H MET 11 48.158 -15.912 -16.791 77 HA MET 11 HA MET 11 48.192 -13.197 -17.645 78 HB2 MET 11 HB2 MET 11 46.070 -13.187 -18.900 79 HB3 MET 11 HB3 MET 11 47.327 -14.087 -19.731 80 HG2 MET 11 HG2 MET 11 46.339 -16.171 -19.101 81 HG3 MET 11 HG3 MET 11 45.167 -15.352 -18.069 82 HE1 MET 11 HE1 MET 11 45.202 -14.973 -22.676 83 HE2 MET 11 HE2 MET 11 46.393 -15.898 -21.759 84 HE3 MET 11 HE3 MET 11 46.356 -14.138 -21.635 85 H ALA 12 H ALA 12 47.472 -12.136 -15.964 86 HA ALA 12 HA ALA 12 45.906 -13.480 -13.936 87 HB1 ALA 12 HB1 ALA 12 46.241 -11.445 -12.619 88 HB2 ALA 12 HB2 ALA 12 46.956 -10.651 -14.021 89 HB3 ALA 12 HB3 ALA 12 47.766 -12.031 -13.283 90 H GLN 13 H GLN 13 43.902 -13.805 -14.845 91 HA GLN 13 HA GLN 13 42.385 -11.404 -15.600 92 HB2 GLN 13 HB2 GLN 13 42.473 -13.174 -17.302 93 HB3 GLN 13 HB3 GLN 13 41.794 -14.321 -16.153 94 HG2 GLN 13 HG2 GLN 13 39.763 -12.891 -16.026 95 HG3 GLN 13 HG3 GLN 13 40.443 -11.889 -17.306 96 HE21 GLN 13 HE21 GLN 13 38.765 -12.339 -18.714 97 HE22 GLN 13 HE22 GLN 13 38.560 -13.884 -19.463 98 H PHE 14 H PHE 14 41.217 -10.588 -14.006 99 HA PHE 14 HA PHE 14 39.886 -12.459 -12.174 100 HB2 PHE 14 HB2 PHE 14 39.789 -10.615 -10.530 101 HB3 PHE 14 HB3 PHE 14 41.440 -11.034 -10.965 102 HD1 PHE 14 HD1 PHE 14 42.709 -9.534 -12.521 103 HD2 PHE 14 HD2 PHE 14 38.954 -8.440 -10.843 104 HE1 PHE 14 HE1 PHE 14 43.175 -7.173 -13.034 105 HE2 PHE 14 HE2 PHE 14 39.411 -6.078 -11.356 106 HZ PHE 14 HZ PHE 14 41.524 -5.441 -12.456 107 HA PRO 15 HA PRO 15 36.133 -11.201 -14.077 108 HB2 PRO 15 HB2 PRO 15 34.397 -12.193 -12.258 109 HB3 PRO 15 HB3 PRO 15 35.316 -13.227 -13.358 110 HG2 PRO 15 HG2 PRO 15 35.847 -12.571 -10.487 111 HG3 PRO 15 HG3 PRO 15 35.960 -14.131 -11.321 112 HD2 PRO 15 HD2 PRO 15 38.133 -12.591 -10.785 113 HD3 PRO 15 HD3 PRO 15 38.034 -13.662 -12.195 114 H THR 16 H THR 16 34.252 -9.853 -13.730 115 HA THR 16 HA THR 16 34.422 -8.120 -11.368 116 HB THR 16 HB THR 16 35.554 -6.948 -13.206 117 HG1 THR 16 HG1 THR 16 33.010 -5.823 -12.567 118 HG21 THR 16 HG21 THR 16 34.325 -6.204 -15.179 119 HG22 THR 16 HG22 THR 16 32.908 -7.111 -14.649 120 HG23 THR 16 HG23 THR 16 34.384 -7.966 -15.100 121 HA PRO 17 HA PRO 17 30.048 -8.974 -11.457 122 HB2 PRO 17 HB2 PRO 17 29.409 -7.796 -9.148 123 HB3 PRO 17 HB3 PRO 17 30.350 -9.291 -9.187 124 HG2 PRO 17 HG2 PRO 17 31.286 -6.475 -8.807 125 HG3 PRO 17 HG3 PRO 17 31.787 -7.946 -7.951 126 HD2 PRO 17 HD2 PRO 17 33.197 -6.810 -10.020 127 HD3 PRO 17 HD3 PRO 17 33.274 -8.528 -9.586 128 H PHE 18 H PHE 18 28.189 -7.901 -11.909 129 HA PHE 18 HA PHE 18 28.370 -4.977 -12.245 130 HB2 PHE 18 HB2 PHE 18 26.743 -6.975 -13.847 131 HB3 PHE 18 HB3 PHE 18 26.664 -5.227 -14.041 132 HD1 PHE 18 HD1 PHE 18 28.866 -8.174 -14.392 133 HD2 PHE 18 HD2 PHE 18 28.242 -4.072 -15.340 134 HE1 PHE 18 HE1 PHE 18 30.702 -8.281 -16.022 135 HE2 PHE 18 HE2 PHE 18 30.084 -4.169 -16.973 136 HZ PHE 18 HZ PHE 18 31.314 -6.275 -17.314 137 H GLY 19 H GLY 19 26.211 -3.867 -12.033 138 HA2 GLY 19 HA2 GLY 19 23.918 -4.972 -11.012 139 HA3 GLY 19 HA3 GLY 19 24.949 -4.735 -9.609 140 H GLY 20 H GLY 20 23.429 -3.245 -8.780 141 HA2 GLY 20 HA2 GLY 20 23.829 -0.664 -8.740 142 HA3 GLY 20 HA3 GLY 20 23.044 -0.778 -10.309 143 H SER 21 H SER 21 21.854 0.790 -8.509 144 HA SER 21 HA SER 21 19.480 -0.754 -7.754 145 HB2 SER 21 HB2 SER 21 21.013 -0.374 -5.753 146 HB3 SER 21 HB3 SER 21 20.680 1.346 -5.937 147 HG SER 21 HG SER 21 18.347 0.100 -5.959 148 H LEU 22 H LEU 22 18.184 0.094 -9.300 149 HA LEU 22 HA LEU 22 17.737 2.992 -9.242 150 HB2 LEU 22 HB2 LEU 22 18.076 1.303 -11.723 151 HB3 LEU 22 HB3 LEU 22 17.499 2.958 -11.722 152 HG LEU 22 HG LEU 22 20.229 2.124 -10.734 153 HD11 LEU 22 HD11 LEU 22 19.396 3.295 -13.384 154 HD12 LEU 22 HD12 LEU 22 20.058 1.683 -13.109 155 HD13 LEU 22 HD13 LEU 22 21.060 3.107 -12.828 156 HD21 LEU 22 HD21 LEU 22 19.048 4.830 -11.355 157 HD22 LEU 22 HD22 LEU 22 20.717 4.517 -10.879 158 HD23 LEU 22 HD23 LEU 22 19.404 4.195 -9.748 159 H ASP 23 H ASP 23 15.687 3.498 -10.588 160 HA ASP 23 HA ASP 23 13.442 3.417 -10.630 161 HB2 ASP 23 HB2 ASP 23 13.970 0.546 -11.412 162 HB3 ASP 23 HB3 ASP 23 12.508 1.463 -11.719 163 H THR 24 H THR 24 13.881 3.505 -8.142 164 HA THR 24 HA THR 24 12.614 1.229 -6.813 165 HB THR 24 HB THR 24 13.821 3.720 -5.584 166 HG1 THR 24 HG1 THR 24 15.198 1.426 -5.149 167 HG21 THR 24 HG21 THR 24 12.192 2.605 -4.136 168 HG22 THR 24 HG22 THR 24 13.830 2.407 -3.513 169 HG23 THR 24 HG23 THR 24 13.037 1.074 -4.351 170 H TRP 25 H TRP 25 12.235 4.716 -7.326 171 HA TRP 25 HA TRP 25 9.635 4.688 -6.026 172 HB2 TRP 25 HB2 TRP 25 11.340 6.882 -7.204 173 HB3 TRP 25 HB3 TRP 25 9.694 7.164 -6.639 174 HD1 TRP 25 HD1 TRP 25 13.216 6.929 -5.410 175 HE1 TRP 25 HE1 TRP 25 13.260 7.100 -2.839 176 HE3 TRP 25 HE3 TRP 25 8.225 6.429 -4.495 177 HZ2 TRP 25 HZ2 TRP 25 11.405 7.033 -0.703 178 HZ3 TRP 25 HZ3 TRP 25 7.435 6.492 -2.171 179 HH2 TRP 25 HH2 TRP 25 8.984 6.782 -0.313 180 H ALA 26 H ALA 26 10.956 4.442 -9.164 181 HA ALA 26 HA ALA 26 8.702 5.342 -10.645 182 HB1 ALA 26 HB1 ALA 26 10.899 3.431 -11.441 183 HB2 ALA 26 HB2 ALA 26 10.911 5.180 -11.664 184 HB3 ALA 26 HB3 ALA 26 9.747 4.189 -12.541 185 H ILE 27 H ILE 27 6.955 4.214 -11.433 186 HA ILE 27 HA ILE 27 6.389 1.681 -10.140 187 HB ILE 27 HB ILE 27 4.643 3.337 -11.965 188 HG12 ILE 27 HG12 ILE 27 4.607 3.017 -8.955 189 HG13 ILE 27 HG13 ILE 27 5.194 4.437 -9.813 190 HG21 ILE 27 HG21 ILE 27 3.980 0.947 -10.246 191 HG22 ILE 27 HG22 ILE 27 4.022 0.981 -12.007 192 HG23 ILE 27 HG23 ILE 27 2.809 1.920 -11.139 193 HD11 ILE 27 HD11 ILE 27 2.946 4.757 -8.917 194 HD12 ILE 27 HD12 ILE 27 2.369 3.400 -9.884 195 HD13 ILE 27 HD13 ILE 27 2.968 4.857 -10.678 196 H THR 28 H THR 28 7.583 0.157 -11.094 197 HA THR 28 HA THR 28 7.811 -0.127 -13.944 198 HB THR 28 HB THR 28 8.510 -2.450 -12.299 199 HG1 THR 28 HG1 THR 28 10.375 -1.079 -11.436 200 HG21 THR 28 HG21 THR 28 10.692 -2.129 -13.407 201 HG22 THR 28 HG22 THR 28 10.115 -0.603 -14.074 202 HG23 THR 28 HG23 THR 28 9.361 -2.119 -14.565 203 H VAL 29 H VAL 29 7.247 -2.296 -14.961 204 HA VAL 29 HA VAL 29 4.561 -2.929 -14.845 205 HB VAL 29 HB VAL 29 6.854 -4.734 -15.648 206 HG11 VAL 29 HG11 VAL 29 4.826 -6.025 -15.211 207 HG12 VAL 29 HG12 VAL 29 5.197 -5.986 -16.933 208 HG13 VAL 29 HG13 VAL 29 3.914 -4.964 -16.287 209 HG21 VAL 29 HG21 VAL 29 6.815 -2.689 -16.935 210 HG22 VAL 29 HG22 VAL 29 5.093 -2.888 -17.255 211 HG23 VAL 29 HG23 VAL 29 6.254 -4.025 -17.939 212 H GLU 30 H GLU 30 7.266 -4.413 -13.104 213 HA GLU 30 HA GLU 30 5.887 -6.464 -11.809 214 HB2 GLU 30 HB2 GLU 30 8.349 -6.206 -11.804 215 HB3 GLU 30 HB3 GLU 30 8.194 -4.825 -10.729 216 HG2 GLU 30 HG2 GLU 30 7.275 -6.243 -8.995 217 HG3 GLU 30 HG3 GLU 30 7.338 -7.637 -10.076 218 H GLU 31 H GLU 31 6.456 -3.127 -10.711 219 HA GLU 31 HA GLU 31 5.072 -3.338 -8.277 220 HB2 GLU 31 HB2 GLU 31 5.499 -0.907 -10.012 221 HB3 GLU 31 HB3 GLU 31 4.977 -0.872 -8.339 222 HG2 GLU 31 HG2 GLU 31 7.576 -2.089 -9.216 223 HG3 GLU 31 HG3 GLU 31 7.409 -0.398 -8.743 224 H ARG 32 H ARG 32 3.998 -2.675 -11.532 225 HA ARG 32 HA ARG 32 1.358 -1.888 -10.793 226 HB2 ARG 32 HB2 ARG 32 2.417 -1.243 -12.937 227 HB3 ARG 32 HB3 ARG 32 2.376 -2.922 -13.452 228 HG2 ARG 32 HG2 ARG 32 -0.030 -2.919 -13.437 229 HG3 ARG 32 HG3 ARG 32 -0.063 -1.297 -12.752 230 HD2 ARG 32 HD2 ARG 32 -0.502 -1.004 -15.038 231 HD3 ARG 32 HD3 ARG 32 1.187 -0.549 -14.829 232 HE ARG 32 HE ARG 32 1.255 -3.205 -15.530 233 HH11 ARG 32 HH11 ARG 32 -0.112 -0.292 -16.929 234 HH12 ARG 32 HH12 ARG 32 0.062 -0.845 -18.576 235 HH21 ARG 32 HH21 ARG 32 1.476 -3.937 -17.701 236 HH22 ARG 32 HH22 ARG 32 0.962 -2.910 -19.006 237 H ALA 33 H ALA 33 2.786 -4.872 -12.070 238 HA ALA 33 HA ALA 33 0.341 -6.315 -12.125 239 HB1 ALA 33 HB1 ALA 33 3.168 -7.353 -12.137 240 HB2 ALA 33 HB2 ALA 33 2.229 -6.884 -13.555 241 HB3 ALA 33 HB3 ALA 33 1.726 -8.265 -12.580 242 H LYS 34 H LYS 34 2.644 -5.712 -9.594 243 HA LYS 34 HA LYS 34 2.270 -8.073 -8.102 244 HB2 LYS 34 HB2 LYS 34 3.439 -7.020 -6.354 245 HB3 LYS 34 HB3 LYS 34 4.102 -6.338 -7.832 246 HG2 LYS 34 HG2 LYS 34 2.451 -4.426 -7.479 247 HG3 LYS 34 HG3 LYS 34 2.257 -5.066 -5.846 248 HD2 LYS 34 HD2 LYS 34 4.815 -4.117 -7.126 249 HD3 LYS 34 HD3 LYS 34 3.914 -3.313 -5.843 250 HE2 LYS 34 HE2 LYS 34 4.355 -5.194 -4.351 251 HE3 LYS 34 HE3 LYS 34 5.247 -6.009 -5.637 252 HZ1 LYS 34 HZ1 LYS 34 5.982 -3.554 -4.172 253 HZ2 LYS 34 HZ2 LYS 34 6.686 -3.929 -5.667 254 HZ3 LYS 34 HZ3 LYS 34 6.873 -4.987 -4.348 255 H HIS 35 H HIS 35 0.259 -5.263 -8.419 256 HA HIS 35 HA HIS 35 -1.058 -5.360 -5.937 257 HB2 HIS 35 HB2 HIS 35 -2.555 -3.808 -6.764 258 HB3 HIS 35 HB3 HIS 35 -1.172 -3.533 -7.802 259 HD1 HIS 35 HD1 HIS 35 -1.460 -4.137 -10.328 260 HD2 HIS 35 HD2 HIS 35 -4.849 -4.808 -8.004 261 HE1 HIS 35 HE1 HIS 35 -3.348 -4.490 -11.955 262 HE2 HIS 35 HE2 HIS 35 -5.398 -4.860 -10.533 263 H ASP 36 H ASP 36 -1.456 -7.177 -8.841 264 HA ASP 36 HA ASP 36 -4.070 -8.137 -8.480 265 HB2 ASP 36 HB2 ASP 36 -2.818 -8.237 -10.606 266 HB3 ASP 36 HB3 ASP 36 -1.761 -9.464 -9.920 267 H GLN 37 H GLN 37 -0.951 -9.670 -7.682 268 HA GLN 37 HA GLN 37 -2.159 -12.024 -6.662 269 HB2 GLN 37 HB2 GLN 37 0.156 -12.466 -5.723 270 HB3 GLN 37 HB3 GLN 37 0.044 -12.267 -7.465 271 HG2 GLN 37 HG2 GLN 37 0.922 -10.047 -7.330 272 HG3 GLN 37 HG3 GLN 37 0.857 -10.078 -5.569 273 HE21 GLN 37 HE21 GLN 37 1.891 -12.838 -7.433 274 HE22 GLN 37 HE22 GLN 37 3.561 -12.763 -6.983 275 H GLN 38 H GLN 38 -0.895 -9.104 -5.099 276 HA GLN 38 HA GLN 38 -1.191 -10.082 -2.458 277 HB2 GLN 38 HB2 GLN 38 -0.665 -7.449 -3.697 278 HB3 GLN 38 HB3 GLN 38 -1.335 -7.428 -2.074 279 HG2 GLN 38 HG2 GLN 38 1.067 -7.308 -1.991 280 HG3 GLN 38 HG3 GLN 38 0.511 -8.826 -1.293 281 HE21 GLN 38 HE21 GLN 38 2.136 -7.326 -3.962 282 HE22 GLN 38 HE22 GLN 38 2.839 -8.767 -4.604 283 H PHE 39 H PHE 39 -3.332 -8.249 -4.588 284 HA PHE 39 HA PHE 39 -5.377 -7.678 -2.750 285 HB2 PHE 39 HB2 PHE 39 -5.029 -6.962 -5.258 286 HB3 PHE 39 HB3 PHE 39 -5.986 -8.393 -5.603 287 HD1 PHE 39 HD1 PHE 39 -7.746 -8.043 -3.026 288 HD2 PHE 39 HD2 PHE 39 -6.615 -5.461 -6.214 289 HE1 PHE 39 HE1 PHE 39 -9.801 -6.730 -2.688 290 HE2 PHE 39 HE2 PHE 39 -8.668 -4.148 -5.884 291 HZ PHE 39 HZ PHE 39 -10.263 -4.780 -4.116 292 H HIS 40 H HIS 40 -4.780 -10.472 -4.811 293 HA HIS 40 HA HIS 40 -7.084 -11.949 -4.371 294 HB2 HIS 40 HB2 HIS 40 -5.502 -12.587 -6.078 295 HB3 HIS 40 HB3 HIS 40 -4.236 -12.840 -4.886 296 HD1 HIS 40 HD1 HIS 40 -7.134 -14.487 -6.508 297 HD2 HIS 40 HD2 HIS 40 -4.461 -15.262 -3.421 298 HE1 HIS 40 HE1 HIS 40 -7.413 -16.924 -5.962 299 HE2 HIS 40 HE2 HIS 40 -5.921 -17.324 -3.967 300 H SER 41 H SER 41 -4.258 -11.567 -2.338 301 HA SER 41 HA SER 41 -4.762 -13.861 -0.747 302 HB2 SER 41 HB2 SER 41 -2.972 -11.484 -0.219 303 HB3 SER 41 HB3 SER 41 -2.909 -13.037 0.612 304 HG SER 41 HG SER 41 -1.543 -12.474 -1.451 305 H LEU 42 H LEU 42 -6.073 -10.681 -0.678 306 HA LEU 42 HA LEU 42 -6.689 -10.838 2.166 307 HB2 LEU 42 HB2 LEU 42 -7.245 -8.712 0.107 308 HB3 LEU 42 HB3 LEU 42 -7.766 -8.613 1.776 309 HG LEU 42 HG LEU 42 -4.918 -8.663 0.784 310 HD11 LEU 42 HD11 LEU 42 -6.510 -6.542 2.215 311 HD12 LEU 42 HD12 LEU 42 -6.082 -6.528 0.505 312 HD13 LEU 42 HD13 LEU 42 -4.819 -6.426 1.733 313 HD21 LEU 42 HD21 LEU 42 -5.975 -8.596 3.608 314 HD22 LEU 42 HD22 LEU 42 -4.290 -8.378 3.137 315 HD23 LEU 42 HD23 LEU 42 -5.090 -9.924 2.859 316 H LYS 43 H LYS 43 -7.936 -12.224 -0.431 317 HA LYS 43 HA LYS 43 -9.904 -13.164 -1.024 318 HB2 LYS 43 HB2 LYS 43 -10.767 -12.590 1.812 319 HB3 LYS 43 HB3 LYS 43 -11.500 -13.747 0.713 320 HG2 LYS 43 HG2 LYS 43 -9.335 -14.988 0.701 321 HG3 LYS 43 HG3 LYS 43 -8.768 -13.895 1.965 322 HD2 LYS 43 HD2 LYS 43 -10.789 -14.570 3.307 323 HD3 LYS 43 HD3 LYS 43 -11.085 -15.814 2.092 324 HE2 LYS 43 HE2 LYS 43 -9.908 -16.876 3.842 325 HE3 LYS 43 HE3 LYS 43 -8.740 -16.636 2.544 326 HZ1 LYS 43 HZ1 LYS 43 -7.912 -14.682 3.706 327 HZ2 LYS 43 HZ2 LYS 43 -7.810 -16.055 4.691 328 HZ3 LYS 43 HZ3 LYS 43 -9.036 -14.917 4.951 329 HA PRO 44 HA PRO 44 -11.928 -8.994 -1.596 330 HB2 PRO 44 HB2 PRO 44 -11.959 -9.192 -4.326 331 HB3 PRO 44 HB3 PRO 44 -10.669 -8.403 -3.414 332 HG2 PRO 44 HG2 PRO 44 -10.757 -11.147 -4.589 333 HG3 PRO 44 HG3 PRO 44 -9.418 -9.987 -4.535 334 HD2 PRO 44 HD2 PRO 44 -9.573 -12.096 -2.848 335 HD3 PRO 44 HD3 PRO 44 -8.853 -10.546 -2.369 336 H ILE 45 H ILE 45 -14.081 -8.908 -1.670 337 HA ILE 45 HA ILE 45 -15.574 -11.324 -2.047 338 HB ILE 45 HB ILE 45 -16.606 -8.510 -1.593 339 HG12 ILE 45 HG12 ILE 45 -17.108 -9.555 0.728 340 HG13 ILE 45 HG13 ILE 45 -15.915 -10.768 0.279 341 HG21 ILE 45 HG21 ILE 45 -18.280 -9.935 -2.638 342 HG22 ILE 45 HG22 ILE 45 -18.708 -9.602 -0.958 343 HG23 ILE 45 HG23 ILE 45 -18.021 -11.165 -1.401 344 HD11 ILE 45 HD11 ILE 45 -14.947 -9.017 1.659 345 HD12 ILE 45 HD12 ILE 45 -15.428 -7.804 0.473 346 HD13 ILE 45 HD13 ILE 45 -14.229 -9.025 0.048 347 H SER 46 H SER 46 -16.385 -8.172 -3.455 348 HA SER 46 HA SER 46 -16.724 -9.513 -6.054 349 HB2 SER 46 HB2 SER 46 -18.156 -7.065 -4.988 350 HB3 SER 46 HB3 SER 46 -18.427 -7.817 -6.561 351 HG SER 46 HG SER 46 -19.324 -9.565 -5.599 352 H GLY 47 H GLY 47 -14.289 -8.365 -4.948 353 HA2 GLY 47 HA2 GLY 47 -12.540 -7.330 -6.171 354 HA3 GLY 47 HA3 GLY 47 -13.742 -6.398 -7.051 355 H PHE 48 H PHE 48 -14.506 -6.443 -3.807 356 HA PHE 48 HA PHE 48 -13.035 -3.953 -3.310 357 HB2 PHE 48 HB2 PHE 48 -14.978 -2.924 -2.328 358 HB3 PHE 48 HB3 PHE 48 -15.420 -3.498 -3.931 359 HD1 PHE 48 HD2 PHE 48 -16.807 -5.553 -4.159 360 HD2 PHE 48 HD1 PHE 48 -16.050 -3.734 -0.388 361 HE1 PHE 48 HE2 PHE 48 -18.700 -6.787 -3.184 362 HE2 PHE 48 HE1 PHE 48 -17.941 -4.961 0.594 363 HZ PHE 48 HZ PHE 48 -19.269 -6.489 -0.808 364 H ILE 49 H ILE 49 -12.547 -3.500 -1.158 365 HA ILE 49 HA ILE 49 -13.200 -5.514 0.856 366 HB ILE 49 HB ILE 49 -10.964 -5.542 1.777 367 HG12 ILE 49 HG12 ILE 49 -10.255 -3.261 1.101 368 HG13 ILE 49 HG13 ILE 49 -9.042 -4.480 0.752 369 HG21 ILE 49 HG21 ILE 49 -9.762 -6.761 0.016 370 HG22 ILE 49 HG22 ILE 49 -10.937 -6.179 -1.163 371 HG23 ILE 49 HG23 ILE 49 -11.455 -7.240 0.146 372 HD11 ILE 49 HD11 ILE 49 -10.921 -3.257 -1.252 373 HD12 ILE 49 HD12 ILE 49 -9.658 -4.440 -1.597 374 HD13 ILE 49 HD13 ILE 49 -9.227 -2.827 -1.023 375 H THR 50 H THR 50 -12.198 -4.528 3.071 376 HA THR 50 HA THR 50 -12.595 -1.627 3.071 377 HB THR 50 HB THR 50 -14.742 -2.699 3.751 378 HG1 THR 50 HG1 THR 50 -14.985 -1.035 5.022 379 HG21 THR 50 HG21 THR 50 -13.148 -3.746 6.098 380 HG22 THR 50 HG22 THR 50 -13.848 -4.721 4.803 381 HG23 THR 50 HG23 THR 50 -14.900 -3.839 5.911 382 H GLY 51 H GLY 51 -12.228 -1.129 5.748 383 HA2 GLY 51 HA2 GLY 51 -9.423 -1.184 5.918 384 HA3 GLY 51 HA3 GLY 51 -10.515 -0.735 7.216 385 H ASP 52 H ASP 52 -11.752 -3.515 6.996 386 HA ASP 52 HA ASP 52 -10.209 -4.689 9.060 387 HB2 ASP 52 HB2 ASP 52 -12.650 -5.037 8.818 388 HB3 ASP 52 HB3 ASP 52 -12.351 -5.988 7.365 389 H GLN 53 H GLN 53 -10.597 -5.497 5.615 390 HA GLN 53 HA GLN 53 -8.591 -7.546 5.722 391 HB2 GLN 53 HB2 GLN 53 -9.767 -6.098 3.340 392 HB3 GLN 53 HB3 GLN 53 -8.692 -7.482 3.240 393 HG2 GLN 53 HG2 GLN 53 -10.637 -8.594 3.061 394 HG3 GLN 53 HG3 GLN 53 -10.569 -8.523 4.821 395 HE21 GLN 53 HE21 GLN 53 -12.880 -8.758 3.110 396 HE22 GLN 53 HE22 GLN 53 -13.890 -7.397 3.457 397 H ALA 54 H ALA 54 -8.706 -4.146 4.892 398 HA ALA 54 HA ALA 54 -6.218 -3.865 3.669 399 HB1 ALA 54 HB1 ALA 54 -7.634 -1.815 5.366 400 HB2 ALA 54 HB2 ALA 54 -8.008 -2.161 3.680 401 HB3 ALA 54 HB3 ALA 54 -6.429 -1.505 4.113 402 H ARG 55 H ARG 55 -7.082 -3.725 7.107 403 HA ARG 55 HA ARG 55 -4.586 -2.822 8.037 404 HB2 ARG 55 HB2 ARG 55 -5.301 -3.497 10.236 405 HB3 ARG 55 HB3 ARG 55 -6.670 -2.795 9.387 406 HG2 ARG 55 HG2 ARG 55 -7.505 -5.048 8.904 407 HG3 ARG 55 HG3 ARG 55 -6.146 -5.729 9.799 408 HD2 ARG 55 HD2 ARG 55 -8.073 -5.691 11.223 409 HD3 ARG 55 HD3 ARG 55 -6.914 -4.498 11.805 410 HE ARG 55 HE ARG 55 -9.211 -3.723 10.131 411 HH11 ARG 55 HH11 ARG 55 -7.210 -3.311 12.963 412 HH12 ARG 55 HH12 ARG 55 -8.135 -1.969 13.579 413 HH21 ARG 55 HH21 ARG 55 -10.426 -1.946 10.915 414 HH22 ARG 55 HH22 ARG 55 -9.966 -1.195 12.414 415 H ASN 56 H ASN 56 -5.784 -6.043 7.312 416 HA ASN 56 HA ASN 56 -3.694 -7.471 8.600 417 HB2 ASN 56 HB2 ASN 56 -5.875 -8.493 8.016 418 HB3 ASN 56 HB3 ASN 56 -5.471 -8.349 6.308 419 HD21 ASN 56 HD21 ASN 56 -4.049 -9.804 5.392 420 HD22 ASN 56 HD22 ASN 56 -3.478 -11.210 6.221 421 H PHE 57 H PHE 57 -4.066 -5.975 5.497 422 HA PHE 57 HA PHE 57 -2.124 -7.301 3.999 423 HB2 PHE 57 HB2 PHE 57 -3.784 -5.706 3.097 424 HB3 PHE 57 HB3 PHE 57 -2.886 -4.386 3.842 425 HD1 PHE 57 HD2 PHE 57 -2.812 -6.976 1.235 426 HD2 PHE 57 HD1 PHE 57 -0.868 -3.568 2.884 427 HE1 PHE 57 HE2 PHE 57 -1.373 -6.834 -0.756 428 HE2 PHE 57 HE1 PHE 57 0.568 -3.429 0.907 429 HZ PHE 57 HZ PHE 57 0.320 -5.056 -0.923 430 H PHE 58 H PHE 58 -1.724 -4.187 5.739 431 HA PHE 58 HA PHE 58 1.116 -4.341 5.313 432 HB2 PHE 58 HB2 PHE 58 1.175 -2.244 6.742 433 HB3 PHE 58 HB3 PHE 58 0.279 -2.145 5.237 434 HD1 PHE 58 HD2 PHE 58 -0.151 -2.612 8.896 435 HD2 PHE 58 HD1 PHE 58 -1.922 -1.408 5.219 436 HE1 PHE 58 HE2 PHE 58 -2.095 -1.741 10.123 437 HE2 PHE 58 HE1 PHE 58 -3.865 -0.527 6.443 438 HZ PHE 58 HZ PHE 58 -3.958 -0.695 8.896 439 H PHE 59 H PHE 59 -1.069 -5.218 7.842 440 HA PHE 59 HA PHE 59 0.771 -5.312 9.980 441 HB2 PHE 59 HB2 PHE 59 -1.687 -5.434 10.280 442 HB3 PHE 59 HB3 PHE 59 -1.683 -7.029 9.538 443 HD1 PHE 59 HD1 PHE 59 -0.340 -5.119 12.410 444 HD2 PHE 59 HD2 PHE 59 -1.355 -8.933 10.829 445 HE1 PHE 59 HE1 PHE 59 0.047 -6.132 14.620 446 HE2 PHE 59 HE2 PHE 59 -0.966 -9.957 13.033 447 HZ PHE 59 HZ PHE 59 -0.265 -8.555 14.929 448 H GLN 60 H GLN 60 -0.138 -7.640 7.495 449 HA GLN 60 HA GLN 60 1.348 -9.815 8.510 450 HB2 GLN 60 HB2 GLN 60 -0.532 -9.904 6.834 451 HB3 GLN 60 HB3 GLN 60 0.592 -9.282 5.636 452 HG2 GLN 60 HG2 GLN 60 0.360 -11.669 5.442 453 HG3 GLN 60 HG3 GLN 60 2.000 -11.247 5.930 454 HE21 GLN 60 HE21 GLN 60 -1.006 -12.699 6.913 455 HE22 GLN 60 HE22 GLN 60 -0.403 -13.448 8.354 456 H SER 61 H SER 61 2.221 -6.988 6.718 457 HA SER 61 HA SER 61 4.537 -7.893 5.420 458 HB2 SER 61 HB2 SER 61 3.473 -5.730 4.916 459 HB3 SER 61 HB3 SER 61 3.940 -5.127 6.505 460 HG SER 61 HG SER 61 5.480 -5.557 4.229 461 H GLY 62 H GLY 62 4.131 -6.385 8.628 462 HA2 GLY 62 HA2 GLY 62 5.358 -7.222 10.516 463 HA3 GLY 62 HA3 GLY 62 6.646 -7.695 9.421 464 H LEU 63 H LEU 63 5.107 -4.576 9.213 465 HA LEU 63 HA LEU 63 7.602 -3.304 10.056 466 HB2 LEU 63 HB2 LEU 63 5.189 -2.335 8.535 467 HB3 LEU 63 HB3 LEU 63 6.371 -1.216 9.187 468 HG LEU 63 HG LEU 63 7.069 -3.423 7.243 469 HD11 LEU 63 HD11 LEU 63 7.160 -1.643 5.552 470 HD12 LEU 63 HD12 LEU 63 6.472 -0.514 6.720 471 HD13 LEU 63 HD13 LEU 63 5.529 -1.898 6.169 472 HD21 LEU 63 HD21 LEU 63 8.562 -0.955 8.132 473 HD22 LEU 63 HD22 LEU 63 9.116 -2.141 6.948 474 HD23 LEU 63 HD23 LEU 63 8.912 -2.610 8.636 475 HA PRO 64 HA PRO 64 6.072 -1.903 13.977 476 HB2 PRO 64 HB2 PRO 64 6.928 0.840 13.258 477 HB3 PRO 64 HB3 PRO 64 7.404 -0.162 14.631 478 HG2 PRO 64 HG2 PRO 64 9.078 0.264 12.602 479 HG3 PRO 64 HG3 PRO 64 8.997 -1.316 13.408 480 HD2 PRO 64 HD2 PRO 64 7.843 -0.462 10.780 481 HD3 PRO 64 HD3 PRO 64 8.614 -1.998 11.227 482 H GLN 65 H GLN 65 4.367 -0.798 14.945 483 HA GLN 65 HA GLN 65 2.073 -0.517 13.455 484 HB2 GLN 65 HB2 GLN 65 2.739 0.614 16.168 485 HB3 GLN 65 HB3 GLN 65 1.136 0.717 15.458 486 HG2 GLN 65 HG2 GLN 65 1.174 -1.121 16.970 487 HG3 GLN 65 HG3 GLN 65 1.091 -1.763 15.333 488 HE21 GLN 65 HE21 GLN 65 1.900 -3.765 16.045 489 HE22 GLN 65 HE22 GLN 65 3.574 -3.977 16.446 490 HA PRO 66 HA PRO 66 2.552 4.392 13.573 491 HB2 PRO 66 HB2 PRO 66 5.523 4.492 13.464 492 HB3 PRO 66 HB3 PRO 66 4.386 5.577 14.274 493 HG2 PRO 66 HG2 PRO 66 5.828 3.831 15.675 494 HG3 PRO 66 HG3 PRO 66 4.142 4.176 16.100 495 HD2 PRO 66 HD2 PRO 66 5.296 1.808 14.696 496 HD3 PRO 66 HD3 PRO 66 3.975 1.886 15.880 497 H VAL 67 H VAL 67 4.899 2.266 12.045 498 HA VAL 67 HA VAL 67 5.078 3.763 9.611 499 HB VAL 67 HB VAL 67 5.882 0.903 10.193 500 HG11 VAL 67 HG11 VAL 67 6.690 2.724 7.932 501 HG12 VAL 67 HG12 VAL 67 5.649 1.305 7.805 502 HG13 VAL 67 HG13 VAL 67 7.345 1.117 8.247 503 HG21 VAL 67 HG21 VAL 67 8.151 1.824 10.442 504 HG22 VAL 67 HG22 VAL 67 7.036 2.452 11.654 505 HG23 VAL 67 HG23 VAL 67 7.492 3.451 10.274 506 H LEU 68 H LEU 68 3.279 0.984 10.767 507 HA LEU 68 HA LEU 68 2.111 0.172 8.351 508 HB2 LEU 68 HB2 LEU 68 1.030 -0.006 11.160 509 HB3 LEU 68 HB3 LEU 68 0.385 -0.873 9.782 510 HG LEU 68 HG LEU 68 3.119 -1.240 11.005 511 HD11 LEU 68 HD11 LEU 68 2.287 -3.474 11.551 512 HD12 LEU 68 HD12 LEU 68 0.706 -3.042 10.901 513 HD13 LEU 68 HD13 LEU 68 1.330 -2.212 12.327 514 HD21 LEU 68 HD21 LEU 68 1.855 -2.642 8.656 515 HD22 LEU 68 HD22 LEU 68 3.401 -3.052 9.399 516 HD23 LEU 68 HD23 LEU 68 3.197 -1.502 8.580 517 H ALA 69 H ALA 69 0.881 2.319 10.891 518 HA ALA 69 HA ALA 69 -1.542 3.003 9.663 519 HB1 ALA 69 HB1 ALA 69 -1.609 4.868 11.205 520 HB2 ALA 69 HB2 ALA 69 0.117 4.702 11.527 521 HB3 ALA 69 HB3 ALA 69 -1.002 3.435 12.032 522 H GLN 70 H GLN 70 1.692 4.313 9.320 523 HA GLN 70 HA GLN 70 1.046 6.635 7.878 524 HB2 GLN 70 HB2 GLN 70 3.279 5.689 9.008 525 HB3 GLN 70 HB3 GLN 70 3.606 5.214 7.351 526 HG2 GLN 70 HG2 GLN 70 2.911 8.016 8.175 527 HG3 GLN 70 HG3 GLN 70 4.556 7.407 8.050 528 HE21 GLN 70 HE21 GLN 70 3.238 9.546 6.593 529 HE22 GLN 70 HE22 GLN 70 3.376 9.143 4.920 530 H ILE 71 H ILE 71 1.799 3.323 6.880 531 HA ILE 71 HA ILE 71 1.919 3.675 4.117 532 HB ILE 71 HB ILE 71 0.985 1.336 5.773 533 HG12 ILE 71 HG12 ILE 71 3.379 1.400 3.980 534 HG13 ILE 71 HG13 ILE 71 3.456 2.213 5.534 535 HG21 ILE 71 HG21 ILE 71 -0.187 1.222 3.635 536 HG22 ILE 71 HG22 ILE 71 1.047 -0.032 3.738 537 HG23 ILE 71 HG23 ILE 71 1.342 1.416 2.775 538 HD11 ILE 71 HD11 ILE 71 4.358 -0.032 5.664 539 HD12 ILE 71 HD12 ILE 71 2.829 -0.693 5.085 540 HD13 ILE 71 HD13 ILE 71 2.905 0.112 6.653 541 H TRP 72 H TRP 72 -0.904 2.793 6.097 542 HA TRP 72 HA TRP 72 -2.733 2.794 3.965 543 HB2 TRP 72 HB2 TRP 72 -3.225 1.679 6.069 544 HB3 TRP 72 HB3 TRP 72 -3.195 3.216 6.923 545 HD1 TRP 72 HD1 TRP 72 -5.055 2.777 3.584 546 HE1 TRP 72 HE1 TRP 72 -7.568 3.128 4.005 547 HE3 TRP 72 HE3 TRP 72 -4.982 3.092 8.679 548 HZ2 TRP 72 HZ2 TRP 72 -9.295 3.450 6.215 549 HZ3 TRP 72 HZ3 TRP 72 -7.109 3.407 9.873 550 HH2 TRP 72 HH2 TRP 72 -9.221 3.586 8.666 551 H ALA 73 H ALA 73 -1.909 5.307 6.339 552 HA ALA 73 HA ALA 73 -3.813 7.200 5.610 553 HB1 ALA 73 HB1 ALA 73 -1.028 7.740 6.631 554 HB2 ALA 73 HB2 ALA 73 -2.425 7.344 7.631 555 HB3 ALA 73 HB3 ALA 73 -2.404 8.842 6.701 556 H LEU 74 H LEU 74 -0.639 6.542 4.242 557 HA LEU 74 HA LEU 74 -0.698 8.762 2.419 558 HB2 LEU 74 HB2 LEU 74 1.159 6.671 3.196 559 HB3 LEU 74 HB3 LEU 74 1.136 6.904 1.459 560 HG LEU 74 HG LEU 74 1.747 9.008 3.541 561 HD11 LEU 74 HD11 LEU 74 3.973 8.960 2.564 562 HD12 LEU 74 HD12 LEU 74 3.469 7.698 1.440 563 HD13 LEU 74 HD13 LEU 74 3.526 7.367 3.171 564 HD21 LEU 74 HD21 LEU 74 0.510 9.933 1.630 565 HD22 LEU 74 HD22 LEU 74 1.694 9.227 0.531 566 HD23 LEU 74 HD23 LEU 74 2.183 10.488 1.662 567 H ALA 75 H ALA 75 -1.677 5.418 2.355 568 HA ALA 75 HA ALA 75 -1.523 5.013 -0.432 569 HB1 ALA 75 HB1 ALA 75 -3.249 3.575 1.583 570 HB2 ALA 75 HB2 ALA 75 -1.584 3.163 1.169 571 HB3 ALA 75 HB3 ALA 75 -2.857 3.013 -0.042 572 H ASP 76 H ASP 76 -4.527 5.373 1.554 573 HA ASP 76 HA ASP 76 -5.859 6.183 -0.869 574 HB2 ASP 76 HB2 ASP 76 -7.907 6.290 0.499 575 HB3 ASP 76 HB3 ASP 76 -7.145 4.720 0.539 576 H MET 77 H MET 77 -4.786 8.031 -1.337 577 HA MET 77 HA MET 77 -4.305 10.216 0.303 578 HB2 MET 77 HB2 MET 77 -4.876 10.144 -2.663 579 HB3 MET 77 HB3 MET 77 -4.238 11.542 -1.808 580 HG2 MET 77 HG2 MET 77 -2.255 10.277 -1.186 581 HG3 MET 77 HG3 MET 77 -2.896 8.855 -2.005 582 HE1 MET 77 HE1 MET 77 -3.130 8.622 -4.629 583 HE2 MET 77 HE2 MET 77 -2.858 9.955 -5.751 584 HE3 MET 77 HE3 MET 77 -4.196 10.028 -4.607 585 H ASN 78 H ASN 78 -7.234 9.229 -1.284 586 HA ASN 78 HA ASN 78 -8.691 11.656 -0.939 587 HB2 ASN 78 HB2 ASN 78 -9.273 9.814 -2.557 588 HB3 ASN 78 HB3 ASN 78 -9.784 8.842 -1.183 589 HD21 ASN 78 HD21 ASN 78 -11.912 8.699 -1.765 590 HD22 ASN 78 HD22 ASN 78 -12.983 10.060 -1.766 591 H ASN 79 H ASN 79 -7.541 9.419 1.246 592 HA ASN 79 HA ASN 79 -8.065 8.636 3.297 593 HB2 ASN 79 HB2 ASN 79 -7.890 11.149 3.730 594 HB3 ASN 79 HB3 ASN 79 -9.652 11.174 3.704 595 HD21 ASN 79 HD21 ASN 79 -7.634 8.572 4.952 596 HD22 ASN 79 HD22 ASN 79 -8.143 8.738 6.601 597 H ASP 80 H ASP 80 -9.292 7.027 2.243 598 HA ASP 80 HA ASP 80 -12.127 7.480 1.825 599 HB2 ASP 80 HB2 ASP 80 -10.874 6.399 0.053 600 HB3 ASP 80 HB3 ASP 80 -10.265 5.185 1.168 601 H GLY 81 H GLY 81 -9.926 5.527 3.759 602 HA2 GLY 81 HA2 GLY 81 -10.401 4.844 5.978 603 HA3 GLY 81 HA3 GLY 81 -12.117 5.047 5.654 604 H ARG 82 H ARG 82 -11.379 3.575 3.021 605 HA ARG 82 HA ARG 82 -11.376 0.849 4.160 606 HB2 ARG 82 HB2 ARG 82 -12.804 1.903 1.717 607 HB3 ARG 82 HB3 ARG 82 -12.584 0.195 2.033 608 HG2 ARG 82 HG2 ARG 82 -14.770 0.724 2.720 609 HG3 ARG 82 HG3 ARG 82 -13.825 0.547 4.196 610 HD2 ARG 82 HD2 ARG 82 -15.373 2.489 4.221 611 HD3 ARG 82 HD3 ARG 82 -13.681 2.925 4.461 612 HE ARG 82 HE ARG 82 -13.766 3.418 1.942 613 HH11 ARG 82 HH11 ARG 82 -16.433 3.913 4.177 614 HH12 ARG 82 HH12 ARG 82 -17.131 5.209 3.245 615 HH21 ARG 82 HH21 ARG 82 -14.654 5.130 0.746 616 HH22 ARG 82 HH22 ARG 82 -16.093 5.930 1.315 617 H MET 83 H MET 83 -10.183 3.071 1.853 618 HA MET 83 HA MET 83 -8.474 3.111 0.390 619 HB2 MET 83 HB2 MET 83 -7.075 2.169 2.141 620 HB3 MET 83 HB3 MET 83 -7.626 0.547 1.749 621 HG2 MET 83 HG2 MET 83 -6.495 0.577 -0.333 622 HG3 MET 83 HG3 MET 83 -6.165 2.303 -0.200 623 HE1 MET 83 HE1 MET 83 -4.232 -0.753 2.673 624 HE2 MET 83 HE2 MET 83 -5.418 -1.222 1.455 625 HE3 MET 83 HE3 MET 83 -5.898 -0.187 2.799 626 H ASP 84 H ASP 84 -9.615 2.989 -1.417 627 HA ASP 84 HA ASP 84 -10.867 0.555 -2.279 628 HB2 ASP 84 HB2 ASP 84 -11.758 2.944 -2.543 629 HB3 ASP 84 HB3 ASP 84 -10.622 3.100 -3.877 630 H GLN 85 H GLN 85 -10.576 0.386 -4.957 631 HA GLN 85 HA GLN 85 -8.341 -1.274 -5.053 632 HB2 GLN 85 HB2 GLN 85 -10.025 -0.121 -7.269 633 HB3 GLN 85 HB3 GLN 85 -8.747 -1.288 -7.558 634 HG2 GLN 85 HG2 GLN 85 -10.747 -2.515 -7.502 635 HG3 GLN 85 HG3 GLN 85 -9.948 -2.829 -5.964 636 HE21 GLN 85 HE21 GLN 85 -10.867 -2.046 -4.067 637 HE22 GLN 85 HE22 GLN 85 -12.473 -1.407 -4.004 638 H VAL 86 H VAL 86 -8.658 2.006 -6.455 639 HA VAL 86 HA VAL 86 -6.103 1.931 -7.695 640 HB VAL 86 HB VAL 86 -7.701 4.352 -6.831 641 HG11 VAL 86 HG11 VAL 86 -6.395 5.556 -8.518 642 HG12 VAL 86 HG12 VAL 86 -5.443 4.102 -8.817 643 HG13 VAL 86 HG13 VAL 86 -5.365 4.900 -7.247 644 HG21 VAL 86 HG21 VAL 86 -8.943 2.883 -8.354 645 HG22 VAL 86 HG22 VAL 86 -7.602 2.942 -9.499 646 HG23 VAL 86 HG23 VAL 86 -8.511 4.408 -9.132 647 H GLU 87 H GLU 87 -7.249 3.199 -4.608 648 HA GLU 87 HA GLU 87 -4.771 4.261 -3.751 649 HB2 GLU 87 HB2 GLU 87 -7.201 3.360 -2.193 650 HB3 GLU 87 HB3 GLU 87 -5.829 4.185 -1.472 651 HG2 GLU 87 HG2 GLU 87 -7.579 5.767 -1.842 652 HG3 GLU 87 HG3 GLU 87 -6.254 6.117 -2.946 653 H PHE 88 H PHE 88 -6.363 1.157 -3.266 654 HA PHE 88 HA PHE 88 -4.433 0.044 -1.534 655 HB2 PHE 88 HB2 PHE 88 -6.703 -0.850 -1.753 656 HB3 PHE 88 HB3 PHE 88 -6.382 -1.294 -3.423 657 HD1 PHE 88 HD2 PHE 88 -4.902 -1.856 -0.043 658 HD2 PHE 88 HD1 PHE 88 -5.914 -3.490 -3.840 659 HE1 PHE 88 HE2 PHE 88 -4.117 -4.064 0.702 660 HE2 PHE 88 HE1 PHE 88 -5.135 -5.701 -3.100 661 HZ PHE 88 HZ PHE 88 -4.235 -5.991 -0.827 662 H SER 89 H SER 89 -4.643 0.322 -5.010 663 HA SER 89 HA SER 89 -2.709 -1.677 -5.581 664 HB2 SER 89 HB2 SER 89 -3.791 0.578 -7.277 665 HB3 SER 89 HB3 SER 89 -2.697 -0.669 -7.878 666 HG SER 89 HG SER 89 -5.332 -0.967 -6.883 667 H ILE 90 H ILE 90 -2.529 1.745 -4.858 668 HA ILE 90 HA ILE 90 0.169 1.995 -5.860 669 HB ILE 90 HB ILE 90 -1.464 3.892 -5.906 670 HG12 ILE 90 HG12 ILE 90 1.104 4.408 -4.385 671 HG13 ILE 90 HG13 ILE 90 0.954 4.275 -6.135 672 HG21 ILE 90 HG21 ILE 90 -2.491 3.583 -3.732 673 HG22 ILE 90 HG22 ILE 90 -1.805 5.203 -3.865 674 HG23 ILE 90 HG23 ILE 90 -0.965 3.961 -2.936 675 HD11 ILE 90 HD11 ILE 90 -0.292 6.397 -4.403 676 HD12 ILE 90 HD12 ILE 90 -0.477 6.262 -6.152 677 HD13 ILE 90 HD13 ILE 90 1.110 6.591 -5.455 678 H ALA 91 H ALA 91 -1.319 1.092 -2.904 679 HA ALA 91 HA ALA 91 0.771 1.780 -1.111 680 HB1 ALA 91 HB1 ALA 91 -0.335 0.263 0.452 681 HB2 ALA 91 HB2 ALA 91 -1.338 -0.363 -0.858 682 HB3 ALA 91 HB3 ALA 91 -1.502 1.317 -0.345 683 H MET 92 H MET 92 0.471 -0.619 -3.475 684 HA MET 92 HA MET 92 1.871 -2.786 -2.406 685 HB2 MET 92 HB2 MET 92 1.709 -1.823 -5.265 686 HB3 MET 92 HB3 MET 92 2.296 -3.406 -4.772 687 HG2 MET 92 HG2 MET 92 -0.473 -2.362 -4.242 688 HG3 MET 92 HG3 MET 92 -0.029 -3.422 -5.579 689 HE1 MET 92 HE1 MET 92 -2.261 -3.841 -3.204 690 HE2 MET 92 HE2 MET 92 -2.105 -5.580 -2.953 691 HE3 MET 92 HE3 MET 92 -2.103 -4.920 -4.589 692 H LYS 93 H LYS 93 3.024 0.221 -3.773 693 HA LYS 93 HA LYS 93 5.753 -0.717 -3.897 694 HB2 LYS 93 HB2 LYS 93 5.072 0.876 -5.573 695 HB3 LYS 93 HB3 LYS 93 4.543 2.014 -4.341 696 HG2 LYS 93 HG2 LYS 93 6.827 2.327 -3.601 697 HG3 LYS 93 HG3 LYS 93 7.388 1.119 -4.756 698 HD2 LYS 93 HD2 LYS 93 5.937 3.626 -5.575 699 HD3 LYS 93 HD3 LYS 93 7.693 3.533 -5.438 700 HE2 LYS 93 HE2 LYS 93 5.965 1.817 -7.215 701 HE3 LYS 93 HE3 LYS 93 6.943 3.185 -7.744 702 HZ1 LYS 93 HZ1 LYS 93 8.214 1.295 -8.199 703 HZ2 LYS 93 HZ2 LYS 93 7.850 0.560 -6.715 704 HZ3 LYS 93 HZ3 LYS 93 8.890 1.905 -6.767 705 H LEU 94 H LEU 94 3.756 1.262 -1.756 706 HA LEU 94 HA LEU 94 5.823 2.390 -0.235 707 HB2 LEU 94 HB2 LEU 94 2.970 2.265 -0.055 708 HB3 LEU 94 HB3 LEU 94 3.653 1.885 1.511 709 HG LEU 94 HG LEU 94 4.997 3.990 1.364 710 HD11 LEU 94 HD11 LEU 94 4.283 5.698 -0.229 711 HD12 LEU 94 HD12 LEU 94 3.214 4.529 -1.004 712 HD13 LEU 94 HD13 LEU 94 4.960 4.289 -1.041 713 HD21 LEU 94 HD21 LEU 94 1.995 4.282 1.245 714 HD22 LEU 94 HD22 LEU 94 3.120 5.450 1.939 715 HD23 LEU 94 HD23 LEU 94 2.940 3.855 2.671 716 H ILE 95 H ILE 95 4.070 -0.652 0.165 717 HA ILE 95 HA ILE 95 5.200 -1.445 2.599 718 HB ILE 95 HB ILE 95 4.377 -3.230 0.298 719 HG12 ILE 95 HG12 ILE 95 2.586 -1.663 1.013 720 HG13 ILE 95 HG13 ILE 95 2.187 -3.349 1.326 721 HG21 ILE 95 HG21 ILE 95 5.704 -4.394 1.976 722 HG22 ILE 95 HG22 ILE 95 4.027 -4.944 2.000 723 HG23 ILE 95 HG23 ILE 95 4.609 -3.835 3.243 724 HD11 ILE 95 HD11 ILE 95 3.182 -1.369 3.362 725 HD12 ILE 95 HD12 ILE 95 2.771 -3.056 3.672 726 HD13 ILE 95 HD13 ILE 95 1.518 -1.921 3.170 727 H LYS 96 H LYS 96 6.278 -1.797 -0.721 728 HA LYS 96 HA LYS 96 8.444 -3.552 -0.192 729 HB2 LYS 96 HB2 LYS 96 7.167 -3.063 -2.401 730 HB3 LYS 96 HB3 LYS 96 8.275 -1.712 -2.567 731 HG2 LYS 96 HG2 LYS 96 9.472 -4.365 -2.048 732 HG3 LYS 96 HG3 LYS 96 8.724 -4.112 -3.624 733 HD2 LYS 96 HD2 LYS 96 10.125 -2.017 -3.812 734 HD3 LYS 96 HD3 LYS 96 10.993 -2.573 -2.377 735 HE2 LYS 96 HE2 LYS 96 11.629 -4.617 -3.521 736 HE3 LYS 96 HE3 LYS 96 10.688 -4.147 -4.935 737 HZ1 LYS 96 HZ1 LYS 96 12.183 -2.194 -5.140 738 HZ2 LYS 96 HZ2 LYS 96 12.963 -3.676 -5.359 739 HZ3 LYS 96 HZ3 LYS 96 13.144 -2.835 -3.897 740 H LEU 97 H LEU 97 8.200 -0.035 -0.641 741 HA LEU 97 HA LEU 97 11.038 0.318 -0.430 742 HB2 LEU 97 HB2 LEU 97 10.537 2.723 -0.523 743 HB3 LEU 97 HB3 LEU 97 9.811 1.818 -1.830 744 HG LEU 97 HG LEU 97 7.699 1.851 -0.226 745 HD11 LEU 97 HD11 LEU 97 8.807 2.970 1.621 746 HD12 LEU 97 HD12 LEU 97 7.527 3.985 0.953 747 HD13 LEU 97 HD13 LEU 97 9.215 4.329 0.573 748 HD21 LEU 97 HD21 LEU 97 8.580 4.188 -1.907 749 HD22 LEU 97 HD22 LEU 97 6.923 3.826 -1.424 750 HD23 LEU 97 HD23 LEU 97 7.791 2.727 -2.495 751 H LYS 98 H LYS 98 8.326 0.545 1.800 752 HA LYS 98 HA LYS 98 9.758 1.926 3.835 753 HB2 LYS 98 HB2 LYS 98 7.197 0.401 3.764 754 HB3 LYS 98 HB3 LYS 98 7.912 0.825 5.317 755 HG2 LYS 98 HG2 LYS 98 8.030 3.206 4.456 756 HG3 LYS 98 HG3 LYS 98 6.980 2.667 3.141 757 HD2 LYS 98 HD2 LYS 98 5.205 2.247 4.558 758 HD3 LYS 98 HD3 LYS 98 6.245 2.096 5.975 759 HE2 LYS 98 HE2 LYS 98 5.104 4.138 6.202 760 HE3 LYS 98 HE3 LYS 98 6.745 4.544 5.731 761 HZ1 LYS 98 HZ1 LYS 98 5.982 4.861 3.465 762 HZ2 LYS 98 HZ2 LYS 98 5.125 5.865 4.529 763 HZ3 LYS 98 HZ3 LYS 98 4.400 4.463 3.915 764 H LEU 99 H LEU 99 9.301 -1.482 3.073 765 HA LEU 99 HA LEU 99 10.562 -2.519 5.375 766 HB2 LEU 99 HB2 LEU 99 10.152 -3.582 2.601 767 HB3 LEU 99 HB3 LEU 99 11.040 -4.499 3.798 768 HG LEU 99 HG LEU 99 8.182 -3.583 4.125 769 HD11 LEU 99 HD11 LEU 99 9.271 -6.290 3.362 770 HD12 LEU 99 HD12 LEU 99 8.380 -5.196 2.305 771 HD13 LEU 99 HD13 LEU 99 7.584 -5.916 3.704 772 HD21 LEU 99 HD21 LEU 99 9.356 -3.905 6.238 773 HD22 LEU 99 HD22 LEU 99 9.870 -5.511 5.720 774 HD23 LEU 99 HD23 LEU 99 8.160 -5.176 5.986 775 H GLN 100 H GLN 100 11.789 -0.981 2.539 776 HA GLN 100 HA GLN 100 14.485 -1.971 2.877 777 HB2 GLN 100 HB2 GLN 100 13.436 0.250 1.111 778 HB3 GLN 100 HB3 GLN 100 15.053 -0.434 1.043 779 HG2 GLN 100 HG2 GLN 100 12.488 -1.893 0.456 780 HG3 GLN 100 HG3 GLN 100 13.644 -1.301 -0.733 781 HE21 GLN 100 HE21 GLN 100 12.991 -3.702 1.687 782 HE22 GLN 100 HE22 GLN 100 14.283 -4.769 1.274 783 H GLY 101 H GLY 101 12.573 0.616 4.076 784 HA2 GLY 101 HA2 GLY 101 13.526 1.550 6.171 785 HA3 GLY 101 HA3 GLY 101 15.009 1.793 5.264 786 H TYR 102 H TYR 102 11.549 2.621 4.945 787 HA TYR 102 HA TYR 102 12.285 5.436 4.791 788 HB2 TYR 102 HB2 TYR 102 10.627 4.009 2.711 789 HB3 TYR 102 HB3 TYR 102 10.652 5.750 2.901 790 HD1 TYR 102 HD2 TYR 102 12.967 6.905 2.704 791 HD2 TYR 102 HD1 TYR 102 12.154 2.975 1.291 792 HE1 TYR 102 HE2 TYR 102 14.904 7.051 1.195 793 HE2 TYR 102 HE1 TYR 102 14.085 3.111 -0.223 794 HH TYR 102 HH TYR 102 16.480 5.395 0.060 795 H GLN 103 H GLN 103 10.404 6.849 5.067 796 HA GLN 103 HA GLN 103 8.123 5.512 6.356 797 HB2 GLN 103 HB2 GLN 103 9.599 6.469 8.097 798 HB3 GLN 103 HB3 GLN 103 9.435 8.053 7.345 799 HG2 GLN 103 HG2 GLN 103 7.055 8.049 7.794 800 HG3 GLN 103 HG3 GLN 103 7.165 6.430 8.479 801 HE21 GLN 103 HE21 GLN 103 6.372 7.063 10.452 802 HE22 GLN 103 HE22 GLN 103 7.275 8.027 11.569 803 H LEU 104 H LEU 104 9.335 8.512 4.903 804 HA LEU 104 HA LEU 104 8.429 9.922 3.372 805 HB2 LEU 104 HB2 LEU 104 6.329 7.782 3.257 806 HB3 LEU 104 HB3 LEU 104 6.104 9.301 2.417 807 HG LEU 104 HG LEU 104 8.231 8.846 1.174 808 HD11 LEU 104 HD11 LEU 104 9.087 6.572 1.137 809 HD12 LEU 104 HD12 LEU 104 7.951 6.111 2.405 810 HD13 LEU 104 HD13 LEU 104 9.233 7.274 2.748 811 HD21 LEU 104 HD21 LEU 104 6.035 8.432 0.203 812 HD22 LEU 104 HD22 LEU 104 6.028 6.810 0.894 813 HD23 LEU 104 HD23 LEU 104 7.211 7.236 -0.342 814 HA PRO 105 HA PRO 105 5.569 12.427 5.703 815 HB2 PRO 105 HB2 PRO 105 5.019 14.330 3.916 816 HB3 PRO 105 HB3 PRO 105 6.651 14.151 4.572 817 HG2 PRO 105 HG2 PRO 105 5.563 13.272 1.930 818 HG3 PRO 105 HG3 PRO 105 7.136 13.997 2.312 819 HD2 PRO 105 HD2 PRO 105 6.672 11.287 1.960 820 HD3 PRO 105 HD3 PRO 105 8.059 11.979 2.822 821 H SER 106 H SER 106 3.399 13.820 4.766 822 HA SER 106 HA SER 106 1.500 11.658 4.386 823 HB2 SER 106 HB2 SER 106 -0.149 13.595 4.683 824 HB3 SER 106 HB3 SER 106 0.892 13.190 6.042 825 HG SER 106 HG SER 106 1.407 15.262 4.161 826 H ALA 107 H ALA 107 3.331 13.185 2.339 827 HA ALA 107 HA ALA 107 1.365 12.930 0.177 828 HB1 ALA 107 HB1 ALA 107 2.276 14.861 -0.981 829 HB2 ALA 107 HB2 ALA 107 3.426 15.128 0.328 830 HB3 ALA 107 HB3 ALA 107 1.698 15.331 0.618 831 H LEU 108 H LEU 108 2.031 11.285 -1.048 832 HA LEU 108 HA LEU 108 4.802 10.510 -1.091 833 HB2 LEU 108 HB2 LEU 108 3.883 8.780 -2.789 834 HB3 LEU 108 HB3 LEU 108 3.485 8.629 -1.092 835 HG LEU 108 HG LEU 108 1.265 9.710 -1.602 836 HD11 LEU 108 HD11 LEU 108 0.510 9.704 -3.933 837 HD12 LEU 108 HD12 LEU 108 2.137 9.266 -4.455 838 HD13 LEU 108 HD13 LEU 108 1.847 10.826 -3.686 839 HD21 LEU 108 HD21 LEU 108 0.317 7.679 -2.591 840 HD22 LEU 108 HD22 LEU 108 1.486 7.319 -1.320 841 HD23 LEU 108 HD23 LEU 108 1.941 7.137 -3.014 842 HA PRO 109 HA PRO 109 6.411 12.587 -4.555 843 HB2 PRO 109 HB2 PRO 109 7.182 9.962 -5.730 844 HB3 PRO 109 HB3 PRO 109 8.182 11.373 -5.370 845 HG2 PRO 109 HG2 PRO 109 8.285 9.217 -3.824 846 HG3 PRO 109 HG3 PRO 109 8.345 10.844 -3.116 847 HD2 PRO 109 HD2 PRO 109 6.067 8.907 -3.237 848 HD3 PRO 109 HD3 PRO 109 6.547 9.999 -1.921 849 HA PRO 110 HA PRO 110 3.469 12.719 -7.808 850 HB2 PRO 110 HB2 PRO 110 5.018 13.679 -9.856 851 HB3 PRO 110 HB3 PRO 110 4.399 14.676 -8.535 852 HG2 PRO 110 HG2 PRO 110 7.102 13.417 -8.857 853 HG3 PRO 110 HG3 PRO 110 6.688 15.054 -8.307 854 HD2 PRO 110 HD2 PRO 110 7.342 13.128 -6.566 855 HD3 PRO 110 HD3 PRO 110 6.081 14.319 -6.188 856 H VAL 111 H VAL 111 6.366 10.864 -8.206 857 HA VAL 111 HA VAL 111 5.717 9.708 -10.729 858 HB VAL 111 HB VAL 111 7.539 8.582 -8.590 859 HG11 VAL 111 HG11 VAL 111 6.985 6.972 -10.327 860 HG12 VAL 111 HG12 VAL 111 8.669 7.478 -10.465 861 HG13 VAL 111 HG13 VAL 111 7.459 8.127 -11.575 862 HG21 VAL 111 HG21 VAL 111 9.359 9.732 -9.773 863 HG22 VAL 111 HG22 VAL 111 8.183 10.867 -9.112 864 HG23 VAL 111 HG23 VAL 111 8.177 10.497 -10.837 865 H MET 112 H MET 112 4.889 8.983 -7.415 866 HA MET 112 HA MET 112 3.969 6.321 -8.020 867 HB2 MET 112 HB2 MET 112 3.596 8.042 -5.567 868 HB3 MET 112 HB3 MET 112 3.049 6.376 -5.704 869 HG2 MET 112 HG2 MET 112 5.473 5.798 -6.223 870 HG3 MET 112 HG3 MET 112 5.857 7.420 -5.646 871 HE1 MET 112 HE1 MET 112 3.891 4.134 -3.077 872 HE2 MET 112 HE2 MET 112 4.384 3.919 -4.759 873 HE3 MET 112 HE3 MET 112 3.031 4.983 -4.363 874 H LYS 113 H LYS 113 2.521 9.510 -7.591 875 HA LYS 113 HA LYS 113 -0.153 8.488 -8.019 876 HB2 LYS 113 HB2 LYS 113 -0.820 10.877 -7.972 877 HB3 LYS 113 HB3 LYS 113 0.095 10.389 -6.554 878 HG2 LYS 113 HG2 LYS 113 2.123 11.368 -7.615 879 HG3 LYS 113 HG3 LYS 113 1.084 11.991 -8.895 880 HD2 LYS 113 HD2 LYS 113 0.795 12.614 -5.959 881 HD3 LYS 113 HD3 LYS 113 1.550 13.671 -7.154 882 HE2 LYS 113 HE2 LYS 113 -0.550 13.836 -8.366 883 HE3 LYS 113 HE3 LYS 113 -1.310 12.714 -7.237 884 HZ1 LYS 113 HZ1 LYS 113 -1.015 14.297 -5.468 885 HZ2 LYS 113 HZ2 LYS 113 -1.828 15.048 -6.752 886 HZ3 LYS 113 HZ3 LYS 113 -0.182 15.359 -6.494 887 H GLN 114 H GLN 114 2.463 9.204 -9.909 888 HA GLN 114 HA GLN 114 2.845 9.067 -12.119 889 HB2 GLN 114 HB2 GLN 114 -0.080 8.378 -12.379 890 HB3 GLN 114 HB3 GLN 114 1.170 8.109 -13.585 891 HG2 GLN 114 HG2 GLN 114 2.278 6.534 -12.090 892 HG3 GLN 114 HG3 GLN 114 1.034 6.809 -10.872 893 HE21 GLN 114 HE21 GLN 114 0.289 4.725 -10.825 894 HE22 GLN 114 HE22 GLN 114 -0.544 3.987 -12.149 895 H GLN 115 H GLN 115 1.925 9.873 -14.334 896 HA GLN 115 HA GLN 115 1.366 12.706 -14.016 897 HB2 GLN 115 HB2 GLN 115 3.128 11.880 -15.586 898 HB3 GLN 115 HB3 GLN 115 1.873 11.092 -16.526 899 HG2 GLN 115 HG2 GLN 115 2.243 13.036 -17.700 900 HG3 GLN 115 HG3 GLN 115 0.843 13.443 -16.712 901 HE21 GLN 115 HE21 GLN 115 2.522 13.678 -14.273 902 HE22 GLN 115 HE22 GLN 115 3.348 15.187 -14.434 903 HA PRO 116 HA PRO 116 -3.025 12.150 -14.483 904 HB2 PRO 116 HB2 PRO 116 -2.852 14.860 -15.701 905 HB3 PRO 116 HB3 PRO 116 -3.897 14.267 -14.404 906 HG2 PRO 116 HG2 PRO 116 -1.804 15.795 -13.865 907 HG3 PRO 116 HG3 PRO 116 -2.235 14.451 -12.801 908 HD2 PRO 116 HD2 PRO 116 -0.033 14.659 -14.808 909 HD3 PRO 116 HD3 PRO 116 -0.047 13.843 -13.232 910 H VAL 117 H VAL 117 -3.704 10.868 -15.989 911 HA VAL 117 HA VAL 117 -3.436 11.650 -18.816 912 HB VAL 117 HB VAL 117 -3.625 9.248 -19.392 913 HG11 VAL 117 HG11 VAL 117 -1.350 9.914 -17.525 914 HG12 VAL 117 HG12 VAL 117 -1.424 10.265 -19.252 915 HG13 VAL 117 HG13 VAL 117 -1.362 8.593 -18.693 916 HG21 VAL 117 HG21 VAL 117 -3.393 8.810 -16.415 917 HG22 VAL 117 HG22 VAL 117 -3.323 7.550 -17.648 918 HG23 VAL 117 HG23 VAL 117 -4.809 8.470 -17.410 919 H ALA 118 H ALA 118 -5.225 10.647 -20.192 920 HA ALA 118 HA ALA 118 -7.432 10.698 -20.765 921 HB1 ALA 118 HB1 ALA 118 -8.961 9.437 -19.337 922 HB2 ALA 118 HB2 ALA 118 -7.781 9.478 -18.026 923 HB3 ALA 118 HB3 ALA 118 -7.419 8.598 -19.510 924 H ILE 119 H ILE 119 -6.345 13.054 -19.519 925 HA ILE 119 HA ILE 119 -8.575 14.101 -17.946 926 HB ILE 119 HB ILE 119 -6.456 14.423 -16.884 927 HG12 ILE 119 HG12 ILE 119 -7.359 17.035 -18.113 928 HG13 ILE 119 HG13 ILE 119 -8.073 16.267 -16.699 929 HG21 ILE 119 HG21 ILE 119 -5.534 15.753 -19.425 930 HG22 ILE 119 HG22 ILE 119 -4.983 14.205 -18.786 931 HG23 ILE 119 HG23 ILE 119 -4.623 15.696 -17.916 932 HD11 ILE 119 HD11 ILE 119 -6.610 18.077 -16.050 933 HD12 ILE 119 HD12 ILE 119 -5.267 17.334 -16.918 934 HD13 ILE 119 HD13 ILE 119 -5.953 16.534 -15.504 935 H SER 120 H SER 120 -9.913 15.615 -18.695 936 HA SER 120 HA SER 120 -9.680 16.452 -21.458 937 HB2 SER 120 HB2 SER 120 -11.850 17.065 -19.440 938 HB3 SER 120 HB3 SER 120 -11.948 17.262 -21.192 939 HG SER 120 HG SER 120 -11.599 14.802 -19.787 940 H SER 121 H SER 121 -10.377 18.820 -21.900 941 HA SER 121 HA SER 121 -8.811 20.552 -20.104 942 HB2 SER 121 HB2 SER 121 -9.423 20.987 -23.040 943 HB3 SER 121 HB3 SER 121 -8.335 21.948 -22.035 944 HG SER 121 HG SER 121 -7.951 19.165 -22.371 Start of MODEL 17 1 H1 MET 1 H1 MET 1 17.304 -33.538 6.673 2 H2 MET 1 H2 MET 1 16.280 -34.420 7.695 3 H3 MET 1 H3 MET 1 15.642 -33.196 6.707 4 HA MET 1 HA MET 1 16.868 -35.725 5.782 5 HB2 MET 1 HB2 MET 1 13.994 -34.766 5.763 6 HB3 MET 1 HB3 MET 1 14.568 -36.200 4.926 7 HG2 MET 1 HG2 MET 1 13.553 -36.910 6.940 8 HG3 MET 1 HG3 MET 1 15.293 -37.111 7.134 9 HE1 MET 1 HE1 MET 1 15.084 -37.338 9.752 10 HE2 MET 1 HE2 MET 1 13.331 -37.230 9.590 11 HE3 MET 1 HE3 MET 1 14.173 -36.219 10.764 12 H GLY 2 H GLY 2 17.806 -35.514 3.883 13 HA2 GLY 2 HA2 GLY 2 16.581 -33.933 1.786 14 HA3 GLY 2 HA3 GLY 2 18.123 -33.309 2.357 15 H HIS 3 H HIS 3 16.600 -36.291 1.196 16 HA HIS 3 HA HIS 3 19.198 -37.249 0.262 17 HB2 HIS 3 HB2 HIS 3 16.525 -38.515 0.694 18 HB3 HIS 3 HB3 HIS 3 17.640 -39.255 -0.450 19 HD1 HIS 3 HD1 HIS 3 19.385 -40.737 0.493 20 HD2 HIS 3 HD2 HIS 3 17.631 -38.340 3.397 21 HE1 HIS 3 HE1 HIS 3 20.294 -41.559 2.689 22 HE2 HIS 3 HE2 HIS 3 19.425 -39.920 4.390 23 H HIS 4 H HIS 4 19.823 -37.267 -1.805 24 HA HIS 4 HA HIS 4 17.774 -36.866 -3.885 25 HB2 HIS 4 HB2 HIS 4 20.479 -35.574 -3.628 26 HB3 HIS 4 HB3 HIS 4 19.724 -35.779 -5.205 27 HD1 HIS 4 HD1 HIS 4 17.741 -34.273 -5.776 28 HD2 HIS 4 HD2 HIS 4 19.253 -33.670 -1.948 29 HE1 HIS 4 HE1 HIS 4 16.726 -32.118 -4.976 30 HE2 HIS 4 HE2 HIS 4 17.880 -31.644 -2.789 31 H HIS 5 H HIS 5 17.896 -39.293 -3.670 32 HA HIS 5 HA HIS 5 20.246 -40.499 -4.875 33 HB2 HIS 5 HB2 HIS 5 19.067 -41.659 -3.040 34 HB3 HIS 5 HB3 HIS 5 17.620 -41.753 -4.034 35 HD1 HIS 5 HD1 HIS 5 21.027 -43.242 -3.615 36 HD2 HIS 5 HD2 HIS 5 17.636 -43.765 -5.968 37 HE1 HIS 5 HE1 HIS 5 21.356 -45.435 -4.806 38 HE2 HIS 5 HE2 HIS 5 19.242 -45.786 -6.136 39 H HIS 6 H HIS 6 20.360 -39.814 -6.974 40 HA HIS 6 HA HIS 6 18.151 -40.637 -8.730 41 HB2 HIS 6 HB2 HIS 6 17.991 -38.188 -8.155 42 HB3 HIS 6 HB3 HIS 6 19.547 -37.962 -8.944 43 HD1 HIS 6 HD1 HIS 6 19.589 -38.086 -11.535 44 HD2 HIS 6 HD2 HIS 6 15.810 -38.504 -9.857 45 HE1 HIS 6 HE1 HIS 6 17.968 -37.777 -13.428 46 HE2 HIS 6 HE2 HIS 6 15.706 -37.752 -12.328 47 H HIS 7 H HIS 7 21.351 -39.082 -8.831 48 HA HIS 7 HA HIS 7 23.196 -39.406 -10.084 49 HB2 HIS 7 HB2 HIS 7 22.116 -42.212 -10.072 50 HB3 HIS 7 HB3 HIS 7 23.591 -41.803 -10.942 51 HD1 HIS 7 HD1 HIS 7 24.448 -43.658 -9.010 52 HD2 HIS 7 HD2 HIS 7 23.576 -39.775 -7.795 53 HE1 HIS 7 HE1 HIS 7 25.619 -43.353 -6.805 54 HE2 HIS 7 HE2 HIS 7 25.198 -40.950 -6.167 55 H HIS 8 H HIS 8 23.939 -40.423 -12.358 56 HA HIS 8 HA HIS 8 23.887 -40.011 -14.587 57 HB2 HIS 8 HB2 HIS 8 20.915 -40.520 -14.291 58 HB3 HIS 8 HB3 HIS 8 21.783 -40.442 -15.820 59 HD1 HIS 8 HD1 HIS 8 20.208 -42.971 -14.539 60 HD2 HIS 8 HD2 HIS 8 24.323 -42.379 -14.756 61 HE1 HIS 8 HE1 HIS 8 21.236 -45.258 -14.382 62 HE2 HIS 8 HE2 HIS 8 23.725 -44.861 -14.366 63 H SER 9 H SER 9 24.532 -37.856 -14.189 64 HA SER 9 HA SER 9 22.353 -35.884 -14.331 65 HB2 SER 9 HB2 SER 9 24.955 -35.614 -12.811 66 HB3 SER 9 HB3 SER 9 23.650 -34.430 -12.865 67 HG SER 9 HG SER 9 23.681 -35.849 -10.983 68 H HIS 10 H HIS 10 22.510 -35.545 -16.536 69 HA HIS 10 HA HIS 10 24.955 -34.164 -17.408 70 HB2 HIS 10 HB2 HIS 10 22.589 -35.275 -18.921 71 HB3 HIS 10 HB3 HIS 10 23.710 -34.137 -19.663 72 HD1 HIS 10 HD1 HIS 10 25.829 -35.065 -20.604 73 HD2 HIS 10 HD2 HIS 10 23.867 -37.791 -18.151 74 HE1 HIS 10 HE1 HIS 10 27.060 -37.238 -20.886 75 HE2 HIS 10 HE2 HIS 10 25.983 -38.812 -19.241 76 H MET 11 H MET 11 21.480 -33.717 -17.973 77 HA MET 11 HA MET 11 20.126 -31.893 -17.881 78 HB2 MET 11 HB2 MET 11 21.619 -31.677 -15.274 79 HB3 MET 11 HB3 MET 11 20.153 -30.781 -15.643 80 HG2 MET 11 HG2 MET 11 18.924 -32.864 -15.898 81 HG3 MET 11 HG3 MET 11 20.395 -33.780 -15.573 82 HE1 MET 11 HE1 MET 11 17.621 -34.183 -14.046 83 HE2 MET 11 HE2 MET 11 18.168 -34.352 -12.379 84 HE3 MET 11 HE3 MET 11 19.056 -35.138 -13.686 85 H ALA 12 H ALA 12 20.887 -30.627 -19.602 86 HA ALA 12 HA ALA 12 22.546 -28.337 -18.795 87 HB1 ALA 12 HB1 ALA 12 23.336 -29.551 -20.763 88 HB2 ALA 12 HB2 ALA 12 22.844 -27.910 -21.182 89 HB3 ALA 12 HB3 ALA 12 21.789 -29.270 -21.564 90 H GLN 13 H GLN 13 20.865 -27.290 -17.649 91 HA GLN 13 HA GLN 13 18.474 -26.519 -19.129 92 HB2 GLN 13 HB2 GLN 13 19.349 -26.004 -16.280 93 HB3 GLN 13 HB3 GLN 13 17.841 -25.416 -16.965 94 HG2 GLN 13 HG2 GLN 13 18.604 -28.321 -16.771 95 HG3 GLN 13 HG3 GLN 13 17.594 -27.466 -15.607 96 HE21 GLN 13 HE21 GLN 13 15.521 -26.852 -16.181 97 HE22 GLN 13 HE22 GLN 13 14.713 -27.495 -17.571 98 H PHE 14 H PHE 14 17.800 -24.141 -18.880 99 HA PHE 14 HA PHE 14 20.161 -22.453 -19.331 100 HB2 PHE 14 HB2 PHE 14 18.994 -22.967 -21.454 101 HB3 PHE 14 HB3 PHE 14 17.523 -22.258 -20.799 102 HD1 PHE 14 HD1 PHE 14 21.037 -21.480 -21.685 103 HD2 PHE 14 HD2 PHE 14 17.129 -19.961 -20.976 104 HE1 PHE 14 HE1 PHE 14 21.754 -19.269 -22.491 105 HE2 PHE 14 HE2 PHE 14 17.837 -17.749 -21.786 106 HZ PHE 14 HZ PHE 14 20.153 -17.401 -22.546 107 HA PRO 15 HA PRO 15 17.892 -20.040 -16.215 108 HB2 PRO 15 HB2 PRO 15 20.427 -19.582 -14.951 109 HB3 PRO 15 HB3 PRO 15 19.065 -20.520 -14.333 110 HG2 PRO 15 HG2 PRO 15 21.497 -21.595 -15.053 111 HG3 PRO 15 HG3 PRO 15 19.975 -22.500 -14.996 112 HD2 PRO 15 HD2 PRO 15 21.381 -21.302 -17.354 113 HD3 PRO 15 HD3 PRO 15 20.532 -22.859 -17.218 114 H THR 16 H THR 16 18.126 -17.724 -15.880 115 HA THR 16 HA THR 16 20.229 -16.342 -17.284 116 HB THR 16 HB THR 16 18.778 -16.848 -19.170 117 HG1 THR 16 HG1 THR 16 18.340 -14.121 -18.509 118 HG21 THR 16 HG21 THR 16 16.484 -15.981 -19.294 119 HG22 THR 16 HG22 THR 16 16.601 -15.441 -17.619 120 HG23 THR 16 HG23 THR 16 16.665 -17.163 -17.999 121 HA PRO 17 HA PRO 17 19.083 -13.440 -14.093 122 HB2 PRO 17 HB2 PRO 17 20.892 -11.535 -14.694 123 HB3 PRO 17 HB3 PRO 17 21.356 -13.057 -13.924 124 HG2 PRO 17 HG2 PRO 17 21.555 -12.255 -16.801 125 HG3 PRO 17 HG3 PRO 17 22.737 -13.111 -15.793 126 HD2 PRO 17 HD2 PRO 17 21.078 -14.373 -17.548 127 HD3 PRO 17 HD3 PRO 17 21.692 -15.132 -16.068 128 H PHE 18 H PHE 18 18.515 -11.064 -14.019 129 HA PHE 18 HA PHE 18 17.578 -9.994 -16.570 130 HB2 PHE 18 HB2 PHE 18 15.314 -9.580 -15.754 131 HB3 PHE 18 HB3 PHE 18 15.675 -11.301 -15.718 132 HD1 PHE 18 HD1 PHE 18 16.159 -12.402 -13.524 133 HD2 PHE 18 HD2 PHE 18 14.732 -8.400 -13.806 134 HE1 PHE 18 HE1 PHE 18 15.472 -12.484 -11.163 135 HE2 PHE 18 HE2 PHE 18 14.043 -8.477 -11.446 136 HZ PHE 18 HZ PHE 18 14.412 -10.514 -10.121 137 H GLY 19 H GLY 19 17.535 -7.798 -16.675 138 HA2 GLY 19 HA2 GLY 19 18.633 -6.402 -14.333 139 HA3 GLY 19 HA3 GLY 19 18.681 -5.822 -15.995 140 H GLY 20 H GLY 20 16.232 -6.771 -13.579 141 HA2 GLY 20 HA2 GLY 20 14.342 -4.866 -14.662 142 HA3 GLY 20 HA3 GLY 20 14.079 -5.940 -13.295 143 H SER 21 H SER 21 15.912 -3.054 -14.233 144 HA SER 21 HA SER 21 15.478 -2.004 -11.512 145 HB2 SER 21 HB2 SER 21 17.861 -1.437 -13.295 146 HB3 SER 21 HB3 SER 21 17.645 -0.930 -11.618 147 HG SER 21 HG SER 21 18.709 -3.187 -12.532 148 H LEU 22 H LEU 22 15.948 0.534 -11.628 149 HA LEU 22 HA LEU 22 15.497 2.603 -12.452 150 HB2 LEU 22 HB2 LEU 22 16.579 1.979 -14.520 151 HB3 LEU 22 HB3 LEU 22 15.131 1.162 -15.075 152 HG LEU 22 HG LEU 22 13.962 3.367 -15.096 153 HD11 LEU 22 HD11 LEU 22 15.379 4.532 -13.485 154 HD12 LEU 22 HD12 LEU 22 15.298 5.401 -15.016 155 HD13 LEU 22 HD13 LEU 22 16.732 4.456 -14.614 156 HD21 LEU 22 HD21 LEU 22 14.883 2.395 -17.124 157 HD22 LEU 22 HD22 LEU 22 16.444 3.143 -16.789 158 HD23 LEU 22 HD23 LEU 22 15.040 4.151 -17.145 159 H ASP 23 H ASP 23 13.746 3.884 -12.391 160 HA ASP 23 HA ASP 23 11.643 4.549 -12.047 161 HB2 ASP 23 HB2 ASP 23 11.563 2.923 -14.516 162 HB3 ASP 23 HB3 ASP 23 10.026 3.331 -13.779 163 H THR 24 H THR 24 12.547 2.345 -10.435 164 HA THR 24 HA THR 24 10.430 0.498 -10.015 165 HB THR 24 HB THR 24 12.400 1.435 -7.936 166 HG1 THR 24 HG1 THR 24 12.878 -0.741 -9.699 167 HG21 THR 24 HG21 THR 24 11.030 -1.218 -8.404 168 HG22 THR 24 HG22 THR 24 10.649 -0.065 -7.127 169 HG23 THR 24 HG23 THR 24 12.208 -0.890 -7.134 170 H TRP 25 H TRP 25 10.971 3.782 -9.132 171 HA TRP 25 HA TRP 25 9.035 3.867 -7.008 172 HB2 TRP 25 HB2 TRP 25 10.721 5.867 -8.443 173 HB3 TRP 25 HB3 TRP 25 9.308 6.434 -7.560 174 HD1 TRP 25 HD1 TRP 25 12.776 4.929 -7.008 175 HE1 TRP 25 HE1 TRP 25 13.363 5.114 -4.499 176 HE3 TRP 25 HE3 TRP 25 8.247 6.507 -5.246 177 HZ2 TRP 25 HZ2 TRP 25 12.054 5.846 -2.099 178 HZ3 TRP 25 HZ3 TRP 25 7.993 6.922 -2.838 179 HH2 TRP 25 HH2 TRP 25 9.852 6.592 -1.297 180 H ALA 26 H ALA 26 8.744 3.506 -10.238 181 HA ALA 26 HA ALA 26 6.198 4.979 -10.362 182 HB1 ALA 26 HB1 ALA 26 6.311 4.646 -12.793 183 HB2 ALA 26 HB2 ALA 26 7.829 3.770 -12.598 184 HB3 ALA 26 HB3 ALA 26 7.740 5.480 -12.181 185 H ILE 27 H ILE 27 4.389 3.827 -11.466 186 HA ILE 27 HA ILE 27 4.270 1.077 -10.517 187 HB ILE 27 HB ILE 27 2.078 2.758 -11.740 188 HG12 ILE 27 HG12 ILE 27 2.576 2.057 -8.837 189 HG13 ILE 27 HG13 ILE 27 2.942 3.617 -9.564 190 HG21 ILE 27 HG21 ILE 27 1.951 0.121 -10.280 191 HG22 ILE 27 HG22 ILE 27 1.693 0.365 -12.008 192 HG23 ILE 27 HG23 ILE 27 0.564 1.054 -10.841 193 HD11 ILE 27 HD11 ILE 27 0.203 2.387 -9.351 194 HD12 ILE 27 HD12 ILE 27 0.586 3.974 -10.020 195 HD13 ILE 27 HD13 ILE 27 0.852 3.652 -8.307 196 H THR 28 H THR 28 5.586 0.046 -11.975 197 HA THR 28 HA THR 28 5.284 0.152 -14.791 198 HB THR 28 HB THR 28 6.370 -2.257 -13.368 199 HG1 THR 28 HG1 THR 28 8.172 -0.196 -13.647 200 HG21 THR 28 HG21 THR 28 6.451 -2.168 -15.813 201 HG22 THR 28 HG22 THR 28 8.074 -2.124 -15.125 202 HG23 THR 28 HG23 THR 28 7.334 -0.644 -15.734 203 H VAL 29 H VAL 29 4.499 -1.671 -16.150 204 HA VAL 29 HA VAL 29 1.967 -2.622 -15.527 205 HB VAL 29 HB VAL 29 2.876 -2.564 -17.817 206 HG11 VAL 29 HG11 VAL 29 4.502 -4.950 -16.957 207 HG12 VAL 29 HG12 VAL 29 5.119 -3.368 -17.431 208 HG13 VAL 29 HG13 VAL 29 4.317 -4.394 -18.620 209 HG21 VAL 29 HG21 VAL 29 0.896 -3.899 -17.356 210 HG22 VAL 29 HG22 VAL 29 1.910 -5.287 -16.958 211 HG23 VAL 29 HG23 VAL 29 1.883 -4.659 -18.606 212 H GLU 30 H GLU 30 5.119 -4.080 -14.973 213 HA GLU 30 HA GLU 30 4.281 -6.560 -13.963 214 HB2 GLU 30 HB2 GLU 30 6.628 -6.000 -14.527 215 HB3 GLU 30 HB3 GLU 30 6.687 -4.916 -13.143 216 HG2 GLU 30 HG2 GLU 30 6.335 -6.802 -11.642 217 HG3 GLU 30 HG3 GLU 30 6.250 -7.894 -13.024 218 H GLU 31 H GLU 31 4.860 -3.459 -12.353 219 HA GLU 31 HA GLU 31 4.213 -4.273 -9.743 220 HB2 GLU 31 HB2 GLU 31 4.013 -1.561 -11.063 221 HB3 GLU 31 HB3 GLU 31 3.837 -1.833 -9.335 222 HG2 GLU 31 HG2 GLU 31 6.294 -2.490 -10.942 223 HG3 GLU 31 HG3 GLU 31 6.073 -1.035 -9.969 224 H ARG 32 H ARG 32 2.274 -3.145 -12.435 225 HA ARG 32 HA ARG 32 -0.172 -2.860 -11.056 226 HB2 ARG 32 HB2 ARG 32 0.245 -1.940 -13.318 227 HB3 ARG 32 HB3 ARG 32 0.258 -3.574 -13.969 228 HG2 ARG 32 HG2 ARG 32 -2.076 -3.841 -13.115 229 HG3 ARG 32 HG3 ARG 32 -2.054 -2.132 -12.687 230 HD2 ARG 32 HD2 ARG 32 -1.438 -1.721 -15.138 231 HD3 ARG 32 HD3 ARG 32 -1.944 -3.390 -15.409 232 HE ARG 32 HE ARG 32 -3.663 -1.159 -14.569 233 HH11 ARG 32 HH11 ARG 32 -3.329 -4.496 -15.575 234 HH12 ARG 32 HH12 ARG 32 -5.022 -4.706 -15.894 235 HH21 ARG 32 HH21 ARG 32 -5.896 -1.421 -15.005 236 HH22 ARG 32 HH22 ARG 32 -6.483 -2.955 -15.584 237 H ALA 33 H ALA 33 1.109 -5.540 -13.017 238 HA ALA 33 HA ALA 33 -0.981 -7.346 -12.518 239 HB1 ALA 33 HB1 ALA 33 1.924 -7.946 -13.085 240 HB2 ALA 33 HB2 ALA 33 0.666 -7.685 -14.292 241 HB3 ALA 33 HB3 ALA 33 0.587 -9.089 -13.229 242 H LYS 34 H LYS 34 2.000 -6.665 -10.753 243 HA LYS 34 HA LYS 34 1.929 -8.785 -8.957 244 HB2 LYS 34 HB2 LYS 34 3.821 -7.221 -9.423 245 HB3 LYS 34 HB3 LYS 34 2.985 -6.012 -8.458 246 HG2 LYS 34 HG2 LYS 34 3.091 -7.499 -6.526 247 HG3 LYS 34 HG3 LYS 34 3.972 -8.682 -7.501 248 HD2 LYS 34 HD2 LYS 34 5.598 -7.493 -6.345 249 HD3 LYS 34 HD3 LYS 34 5.636 -6.829 -7.964 250 HE2 LYS 34 HE2 LYS 34 4.093 -5.024 -7.103 251 HE3 LYS 34 HE3 LYS 34 4.425 -5.631 -5.487 252 HZ1 LYS 34 HZ1 LYS 34 6.407 -4.532 -7.407 253 HZ2 LYS 34 HZ2 LYS 34 6.806 -5.229 -5.911 254 HZ3 LYS 34 HZ3 LYS 34 5.881 -3.811 -5.966 255 H HIS 35 H HIS 35 0.766 -5.421 -8.497 256 HA HIS 35 HA HIS 35 -0.244 -5.900 -5.920 257 HB2 HIS 35 HB2 HIS 35 -1.307 -3.816 -5.977 258 HB3 HIS 35 HB3 HIS 35 0.117 -3.612 -6.975 259 HD1 HIS 35 HD1 HIS 35 -3.628 -4.246 -7.423 260 HD2 HIS 35 HD2 HIS 35 -0.422 -2.422 -9.349 261 HE1 HIS 35 HE1 HIS 35 -4.607 -3.080 -9.415 262 HE2 HIS 35 HE2 HIS 35 -2.700 -1.790 -10.413 263 H ASP 36 H ASP 36 -1.661 -6.440 -9.057 264 HA ASP 36 HA ASP 36 -4.299 -6.946 -8.134 265 HB2 ASP 36 HB2 ASP 36 -3.786 -6.464 -10.503 266 HB3 ASP 36 HB3 ASP 36 -2.921 -7.994 -10.620 267 H GLN 37 H GLN 37 -1.523 -9.044 -8.834 268 HA GLN 37 HA GLN 37 -2.742 -11.477 -8.103 269 HB2 GLN 37 HB2 GLN 37 -0.651 -11.380 -9.377 270 HB3 GLN 37 HB3 GLN 37 0.175 -10.677 -7.996 271 HG2 GLN 37 HG2 GLN 37 -0.267 -12.735 -6.717 272 HG3 GLN 37 HG3 GLN 37 -1.014 -13.435 -8.152 273 HE21 GLN 37 HE21 GLN 37 1.947 -12.466 -6.644 274 HE22 GLN 37 HE22 GLN 37 3.012 -13.246 -7.757 275 H GLN 38 H GLN 38 -0.922 -9.080 -6.275 276 HA GLN 38 HA GLN 38 -0.820 -10.415 -3.806 277 HB2 GLN 38 HB2 GLN 38 0.159 -8.075 -4.734 278 HB3 GLN 38 HB3 GLN 38 -1.201 -7.473 -3.796 279 HG2 GLN 38 HG2 GLN 38 0.604 -7.417 -2.327 280 HG3 GLN 38 HG3 GLN 38 -0.291 -8.869 -1.878 281 HE21 GLN 38 HE21 GLN 38 2.580 -7.617 -3.359 282 HE22 GLN 38 HE22 GLN 38 3.468 -9.095 -3.381 283 H PHE 39 H PHE 39 -3.133 -8.142 -5.159 284 HA PHE 39 HA PHE 39 -4.923 -7.995 -3.019 285 HB2 PHE 39 HB2 PHE 39 -4.717 -6.693 -5.314 286 HB3 PHE 39 HB3 PHE 39 -5.888 -7.892 -5.847 287 HD1 PHE 39 HD1 PHE 39 -8.122 -7.983 -4.806 288 HD2 PHE 39 HD2 PHE 39 -5.304 -4.936 -3.867 289 HE1 PHE 39 HE1 PHE 39 -9.925 -6.611 -3.845 290 HE2 PHE 39 HE2 PHE 39 -7.100 -3.564 -2.907 291 HZ PHE 39 HZ PHE 39 -9.409 -4.401 -2.899 292 H HIS 40 H HIS 40 -4.740 -10.161 -5.790 293 HA HIS 40 HA HIS 40 -7.092 -11.624 -5.359 294 HB2 HIS 40 HB2 HIS 40 -5.880 -11.795 -7.444 295 HB3 HIS 40 HB3 HIS 40 -4.454 -12.406 -6.620 296 HD1 HIS 40 HD1 HIS 40 -7.643 -13.471 -8.159 297 HD2 HIS 40 HD2 HIS 40 -4.661 -15.141 -5.781 298 HE1 HIS 40 HE1 HIS 40 -7.987 -15.963 -8.274 299 HE2 HIS 40 HE2 HIS 40 -6.219 -16.954 -6.778 300 H SER 41 H SER 41 -3.849 -11.984 -4.050 301 HA SER 41 HA SER 41 -4.374 -14.491 -2.806 302 HB2 SER 41 HB2 SER 41 -2.111 -12.527 -2.372 303 HB3 SER 41 HB3 SER 41 -2.136 -14.208 -1.847 304 HG SER 41 HG SER 41 -1.994 -13.169 -4.468 305 H LEU 42 H LEU 42 -4.977 -11.233 -1.936 306 HA LEU 42 HA LEU 42 -4.941 -11.657 0.911 307 HB2 LEU 42 HB2 LEU 42 -6.100 -9.432 -0.770 308 HB3 LEU 42 HB3 LEU 42 -6.091 -9.437 0.981 309 HG LEU 42 HG LEU 42 -3.668 -9.381 -0.816 310 HD11 LEU 42 HD11 LEU 42 -4.844 -7.318 1.039 311 HD12 LEU 42 HD12 LEU 42 -4.850 -7.263 -0.723 312 HD13 LEU 42 HD13 LEU 42 -3.325 -7.160 0.156 313 HD21 LEU 42 HD21 LEU 42 -2.381 -9.139 1.254 314 HD22 LEU 42 HD22 LEU 42 -3.214 -10.691 1.181 315 HD23 LEU 42 HD23 LEU 42 -3.852 -9.398 2.195 316 H LYS 43 H LYS 43 -7.013 -12.536 -1.546 317 HA LYS 43 HA LYS 43 -9.129 -13.304 -1.698 318 HB2 LYS 43 HB2 LYS 43 -8.838 -13.448 1.295 319 HB3 LYS 43 HB3 LYS 43 -10.347 -13.863 0.500 320 HG2 LYS 43 HG2 LYS 43 -9.277 -15.906 0.810 321 HG3 LYS 43 HG3 LYS 43 -8.957 -15.512 -0.878 322 HD2 LYS 43 HD2 LYS 43 -6.734 -14.693 -0.272 323 HD3 LYS 43 HD3 LYS 43 -7.058 -15.066 1.426 324 HE2 LYS 43 HE2 LYS 43 -7.360 -17.443 0.802 325 HE3 LYS 43 HE3 LYS 43 -6.930 -17.037 -0.858 326 HZ1 LYS 43 HZ1 LYS 43 -4.746 -16.342 -0.088 327 HZ2 LYS 43 HZ2 LYS 43 -5.061 -17.944 0.361 328 HZ3 LYS 43 HZ3 LYS 43 -5.167 -16.712 1.514 329 HA PRO 44 HA PRO 44 -10.695 -8.972 -1.271 330 HB2 PRO 44 HB2 PRO 44 -12.005 -9.180 -3.698 331 HB3 PRO 44 HB3 PRO 44 -10.375 -8.532 -3.485 332 HG2 PRO 44 HG2 PRO 44 -11.229 -11.261 -4.356 333 HG3 PRO 44 HG3 PRO 44 -9.892 -10.260 -4.949 334 HD2 PRO 44 HD2 PRO 44 -9.473 -12.315 -3.273 335 HD3 PRO 44 HD3 PRO 44 -8.514 -10.823 -3.173 336 H ILE 45 H ILE 45 -12.836 -8.324 -0.812 337 HA ILE 45 HA ILE 45 -14.478 -10.523 0.078 338 HB ILE 45 HB ILE 45 -14.095 -8.485 1.464 339 HG12 ILE 45 HG12 ILE 45 -16.448 -8.295 2.243 340 HG13 ILE 45 HG13 ILE 45 -16.960 -9.167 0.802 341 HG21 ILE 45 HG21 ILE 45 -15.441 -6.481 1.025 342 HG22 ILE 45 HG22 ILE 45 -15.931 -7.168 -0.523 343 HG23 ILE 45 HG23 ILE 45 -14.238 -6.772 -0.232 344 HD11 ILE 45 HD11 ILE 45 -15.177 -10.229 2.977 345 HD12 ILE 45 HD12 ILE 45 -15.652 -11.104 1.521 346 HD13 ILE 45 HD13 ILE 45 -16.871 -10.644 2.712 347 H SER 46 H SER 46 -14.555 -8.126 -2.437 348 HA SER 46 HA SER 46 -16.552 -9.557 -3.902 349 HB2 SER 46 HB2 SER 46 -17.861 -8.180 -2.179 350 HB3 SER 46 HB3 SER 46 -17.296 -6.751 -3.044 351 HG SER 46 HG SER 46 -19.184 -8.659 -3.769 352 H GLY 47 H GLY 47 -13.991 -9.031 -4.523 353 HA2 GLY 47 HA2 GLY 47 -12.925 -8.317 -6.501 354 HA3 GLY 47 HA3 GLY 47 -14.197 -7.121 -6.723 355 H PHE 48 H PHE 48 -13.750 -6.555 -3.726 356 HA PHE 48 HA PHE 48 -11.265 -5.017 -3.944 357 HB2 PHE 48 HB2 PHE 48 -12.419 -3.075 -2.863 358 HB3 PHE 48 HB3 PHE 48 -12.976 -3.410 -4.496 359 HD1 PHE 48 HD1 PHE 48 -13.857 -3.504 -0.937 360 HD2 PHE 48 HD2 PHE 48 -15.225 -4.153 -4.917 361 HE1 PHE 48 HE1 PHE 48 -16.182 -3.558 -0.131 362 HE2 PHE 48 HE2 PHE 48 -17.550 -4.214 -4.114 363 HZ PHE 48 HZ PHE 48 -18.031 -3.913 -1.718 364 H ILE 49 H ILE 49 -10.505 -4.268 -1.821 365 HA ILE 49 HA ILE 49 -11.211 -6.152 0.307 366 HB ILE 49 HB ILE 49 -9.160 -5.331 1.442 367 HG12 ILE 49 HG12 ILE 49 -8.611 -3.845 -1.138 368 HG13 ILE 49 HG13 ILE 49 -9.159 -3.077 0.350 369 HG21 ILE 49 HG21 ILE 49 -8.706 -6.338 -1.362 370 HG22 ILE 49 HG22 ILE 49 -9.071 -7.327 0.054 371 HG23 ILE 49 HG23 ILE 49 -7.553 -6.432 -0.030 372 HD11 ILE 49 HD11 ILE 49 -6.580 -4.590 -0.008 373 HD12 ILE 49 HD12 ILE 49 -7.121 -3.807 1.477 374 HD13 ILE 49 HD13 ILE 49 -6.759 -2.836 0.050 375 H THR 50 H THR 50 -10.424 -4.614 2.500 376 HA THR 50 HA THR 50 -11.825 -2.095 2.285 377 HB THR 50 HB THR 50 -13.574 -3.789 2.902 378 HG1 THR 50 HG1 THR 50 -14.508 -2.244 4.008 379 HG21 THR 50 HG21 THR 50 -12.164 -5.273 4.257 380 HG22 THR 50 HG22 THR 50 -13.578 -4.727 5.159 381 HG23 THR 50 HG23 THR 50 -11.999 -4.006 5.473 382 H GLY 51 H GLY 51 -11.813 -1.123 4.716 383 HA2 GLY 51 HA2 GLY 51 -9.164 -0.395 5.118 384 HA3 GLY 51 HA3 GLY 51 -10.458 -0.125 6.271 385 H ASP 52 H ASP 52 -11.077 -2.682 7.064 386 HA ASP 52 HA ASP 52 -9.073 -3.157 8.986 387 HB2 ASP 52 HB2 ASP 52 -11.484 -3.757 9.264 388 HB3 ASP 52 HB3 ASP 52 -11.251 -5.072 8.116 389 H GLN 53 H GLN 53 -9.850 -4.724 5.940 390 HA GLN 53 HA GLN 53 -7.968 -6.839 6.205 391 HB2 GLN 53 HB2 GLN 53 -9.974 -6.917 4.753 392 HB3 GLN 53 HB3 GLN 53 -9.245 -5.703 3.713 393 HG2 GLN 53 HG2 GLN 53 -7.547 -7.199 3.013 394 HG3 GLN 53 HG3 GLN 53 -7.982 -8.375 4.256 395 HE21 GLN 53 HE21 GLN 53 -8.282 -9.978 2.693 396 HE22 GLN 53 HE22 GLN 53 -9.675 -10.008 1.667 397 H ALA 54 H ALA 54 -7.869 -3.602 4.860 398 HA ALA 54 HA ALA 54 -5.310 -3.713 3.677 399 HB1 ALA 54 HB1 ALA 54 -6.671 -1.339 4.966 400 HB2 ALA 54 HB2 ALA 54 -6.900 -1.865 3.296 401 HB3 ALA 54 HB3 ALA 54 -5.324 -1.281 3.831 402 H ARG 55 H ARG 55 -6.386 -2.760 6.914 403 HA ARG 55 HA ARG 55 -3.884 -2.176 8.025 404 HB2 ARG 55 HB2 ARG 55 -6.329 -3.318 9.391 405 HB3 ARG 55 HB3 ARG 55 -4.965 -2.568 10.206 406 HG2 ARG 55 HG2 ARG 55 -5.477 -0.438 9.214 407 HG3 ARG 55 HG3 ARG 55 -6.760 -1.164 8.241 408 HD2 ARG 55 HD2 ARG 55 -7.902 -1.828 10.336 409 HD3 ARG 55 HD3 ARG 55 -6.665 -0.970 11.246 410 HE ARG 55 HE ARG 55 -7.593 0.955 9.627 411 HH11 ARG 55 HH11 ARG 55 -9.248 -1.387 11.652 412 HH12 ARG 55 HH12 ARG 55 -10.600 -0.333 11.974 413 HH21 ARG 55 HH21 ARG 55 -9.393 2.340 10.068 414 HH22 ARG 55 HH22 ARG 55 -10.667 1.771 11.099 415 H ASN 56 H ASN 56 -5.695 -5.193 7.823 416 HA ASN 56 HA ASN 56 -4.065 -6.914 9.246 417 HB2 ASN 56 HB2 ASN 56 -6.216 -7.601 8.349 418 HB3 ASN 56 HB3 ASN 56 -5.625 -7.415 6.703 419 HD21 ASN 56 HD21 ASN 56 -5.986 -9.499 6.097 420 HD22 ASN 56 HD22 ASN 56 -5.100 -10.847 6.722 421 H PHE 57 H PHE 57 -3.854 -6.105 5.782 422 HA PHE 57 HA PHE 57 -1.604 -7.639 5.146 423 HB2 PHE 57 HB2 PHE 57 -3.035 -6.579 3.454 424 HB3 PHE 57 HB3 PHE 57 -2.472 -4.991 3.966 425 HD1 PHE 57 HD1 PHE 57 -0.219 -4.242 3.442 426 HD2 PHE 57 HD2 PHE 57 -1.653 -8.025 2.129 427 HE1 PHE 57 HE1 PHE 57 1.648 -4.403 1.869 428 HE2 PHE 57 HE2 PHE 57 0.213 -8.185 0.538 429 HZ PHE 57 HZ PHE 57 1.873 -6.371 0.403 430 H PHE 58 H PHE 58 -1.812 -4.253 6.182 431 HA PHE 58 HA PHE 58 0.943 -3.719 6.116 432 HB2 PHE 58 HB2 PHE 58 -1.145 -2.470 7.913 433 HB3 PHE 58 HB3 PHE 58 0.440 -1.796 7.554 434 HD1 PHE 58 HD2 PHE 58 0.245 -2.678 4.536 435 HD2 PHE 58 HD1 PHE 58 -2.283 -0.489 7.167 436 HE1 PHE 58 HE2 PHE 58 -0.730 -1.501 2.610 437 HE2 PHE 58 HE1 PHE 58 -3.262 0.692 5.243 438 HZ PHE 58 HZ PHE 58 -2.487 0.186 2.963 439 H PHE 59 H PHE 59 -1.145 -4.763 8.797 440 HA PHE 59 HA PHE 59 0.825 -4.741 10.796 441 HB2 PHE 59 HB2 PHE 59 -1.583 -4.834 11.277 442 HB3 PHE 59 HB3 PHE 59 -1.664 -6.455 10.594 443 HD1 PHE 59 HD2 PHE 59 -0.134 -4.469 13.323 444 HD2 PHE 59 HD1 PHE 59 -1.260 -8.328 11.922 445 HE1 PHE 59 HE2 PHE 59 0.353 -5.415 15.539 446 HE2 PHE 59 HE1 PHE 59 -0.777 -9.277 14.140 447 HZ PHE 59 HZ PHE 59 0.030 -7.818 15.953 448 H GLN 60 H GLN 60 -0.208 -7.282 8.568 449 HA GLN 60 HA GLN 60 1.341 -9.348 9.722 450 HB2 GLN 60 HB2 GLN 60 -0.673 -9.589 8.226 451 HB3 GLN 60 HB3 GLN 60 0.359 -9.142 6.875 452 HG2 GLN 60 HG2 GLN 60 0.049 -11.546 7.033 453 HG3 GLN 60 HG3 GLN 60 1.738 -11.091 7.243 454 HE21 GLN 60 HE21 GLN 60 2.710 -11.357 9.222 455 HE22 GLN 60 HE22 GLN 60 2.009 -12.282 10.504 456 H SER 61 H SER 61 2.272 -6.636 7.980 457 HA SER 61 HA SER 61 4.512 -7.855 6.623 458 HB2 SER 61 HB2 SER 61 3.763 -4.946 6.966 459 HB3 SER 61 HB3 SER 61 5.039 -5.557 5.910 460 HG SER 61 HG SER 61 2.246 -6.091 5.717 461 H GLY 62 H GLY 62 3.869 -6.567 9.725 462 HA2 GLY 62 HA2 GLY 62 5.300 -6.849 11.560 463 HA3 GLY 62 HA3 GLY 62 6.641 -7.081 10.452 464 H LEU 63 H LEU 63 4.395 -4.355 10.452 465 HA LEU 63 HA LEU 63 6.639 -2.635 11.265 466 HB2 LEU 63 HB2 LEU 63 4.317 -2.106 9.422 467 HB3 LEU 63 HB3 LEU 63 5.274 -0.807 10.106 468 HG LEU 63 HG LEU 63 6.396 -3.011 8.370 469 HD11 LEU 63 HD11 LEU 63 5.685 -0.160 7.685 470 HD12 LEU 63 HD12 LEU 63 4.868 -1.608 7.096 471 HD13 LEU 63 HD13 LEU 63 6.540 -1.289 6.634 472 HD21 LEU 63 HD21 LEU 63 8.354 -1.536 8.245 473 HD22 LEU 63 HD22 LEU 63 8.031 -2.062 9.898 474 HD23 LEU 63 HD23 LEU 63 7.586 -0.433 9.388 475 HA PRO 64 HA PRO 64 4.400 -1.478 14.908 476 HB2 PRO 64 HB2 PRO 64 5.459 1.254 14.532 477 HB3 PRO 64 HB3 PRO 64 5.696 0.131 15.872 478 HG2 PRO 64 HG2 PRO 64 7.667 0.656 14.145 479 HG3 PRO 64 HG3 PRO 64 7.440 -0.968 14.825 480 HD2 PRO 64 HD2 PRO 64 6.684 0.083 12.121 481 HD3 PRO 64 HD3 PRO 64 7.390 -1.486 12.563 482 H GLN 65 H GLN 65 2.724 -0.101 15.696 483 HA GLN 65 HA GLN 65 0.646 0.256 13.895 484 HB2 GLN 65 HB2 GLN 65 1.044 1.437 16.639 485 HB3 GLN 65 HB3 GLN 65 -0.458 1.574 15.735 486 HG2 GLN 65 HG2 GLN 65 -0.670 -0.847 15.694 487 HG3 GLN 65 HG3 GLN 65 0.848 -1.000 16.577 488 HE21 GLN 65 HE21 GLN 65 -2.471 0.013 16.739 489 HE22 GLN 65 HE22 GLN 65 -2.599 0.021 18.469 490 HA PRO 66 HA PRO 66 1.379 5.097 14.006 491 HB2 PRO 66 HB2 PRO 66 4.035 5.783 14.351 492 HB3 PRO 66 HB3 PRO 66 2.800 5.864 15.611 493 HG2 PRO 66 HG2 PRO 66 4.832 3.739 15.081 494 HG3 PRO 66 HG3 PRO 66 4.288 4.413 16.629 495 HD2 PRO 66 HD2 PRO 66 3.411 2.036 15.769 496 HD3 PRO 66 HD3 PRO 66 2.337 3.155 16.636 497 H VAL 67 H VAL 67 3.579 2.693 12.827 498 HA VAL 67 HA VAL 67 4.338 4.235 10.489 499 HB VAL 67 HB VAL 67 4.909 1.342 11.184 500 HG11 VAL 67 HG11 VAL 67 6.610 1.455 9.439 501 HG12 VAL 67 HG12 VAL 67 6.124 3.107 9.060 502 HG13 VAL 67 HG13 VAL 67 5.007 1.772 8.774 503 HG21 VAL 67 HG21 VAL 67 6.621 3.810 11.465 504 HG22 VAL 67 HG22 VAL 67 7.165 2.156 11.736 505 HG23 VAL 67 HG23 VAL 67 5.930 2.859 12.781 506 H LEU 68 H LEU 68 2.401 1.371 11.276 507 HA LEU 68 HA LEU 68 1.485 0.703 8.733 508 HB2 LEU 68 HB2 LEU 68 -0.051 0.570 11.333 509 HB3 LEU 68 HB3 LEU 68 -0.433 -0.321 9.876 510 HG LEU 68 HG LEU 68 2.028 -0.673 11.580 511 HD11 LEU 68 HD11 LEU 68 -0.352 -2.469 11.140 512 HD12 LEU 68 HD12 LEU 68 -0.005 -1.549 12.604 513 HD13 LEU 68 HD13 LEU 68 1.074 -2.852 12.106 514 HD21 LEU 68 HD21 LEU 68 1.155 -2.140 9.098 515 HD22 LEU 68 HD22 LEU 68 2.535 -2.558 10.115 516 HD23 LEU 68 HD23 LEU 68 2.522 -1.034 9.226 517 H ALA 69 H ALA 69 0.052 2.853 11.120 518 HA ALA 69 HA ALA 69 -2.168 3.649 9.585 519 HB1 ALA 69 HB1 ALA 69 -0.794 5.139 11.819 520 HB2 ALA 69 HB2 ALA 69 -2.035 3.904 12.025 521 HB3 ALA 69 HB3 ALA 69 -2.429 5.426 11.225 522 H GLN 70 H GLN 70 1.146 4.717 9.701 523 HA GLN 70 HA GLN 70 0.815 7.186 8.394 524 HB2 GLN 70 HB2 GLN 70 2.816 6.688 9.651 525 HB3 GLN 70 HB3 GLN 70 3.169 5.310 8.620 526 HG2 GLN 70 HG2 GLN 70 4.599 7.129 8.067 527 HG3 GLN 70 HG3 GLN 70 3.494 6.833 6.731 528 HE21 GLN 70 HE21 GLN 70 1.876 8.334 6.279 529 HE22 GLN 70 HE22 GLN 70 1.918 9.941 6.922 530 H ILE 71 H ILE 71 1.569 3.893 7.204 531 HA ILE 71 HA ILE 71 1.759 4.772 4.488 532 HB ILE 71 HB ILE 71 1.526 2.026 5.691 533 HG12 ILE 71 HG12 ILE 71 3.699 1.844 4.254 534 HG13 ILE 71 HG13 ILE 71 3.642 3.601 4.256 535 HG21 ILE 71 HG21 ILE 71 0.186 1.930 3.677 536 HG22 ILE 71 HG22 ILE 71 1.706 1.068 3.434 537 HG23 ILE 71 HG23 ILE 71 1.484 2.679 2.747 538 HD11 ILE 71 HD11 ILE 71 3.790 1.820 6.670 539 HD12 ILE 71 HD12 ILE 71 3.710 3.582 6.700 540 HD13 ILE 71 HD13 ILE 71 5.106 2.773 5.987 541 H TRP 72 H TRP 72 -0.851 3.467 6.475 542 HA TRP 72 HA TRP 72 -2.725 3.162 4.400 543 HB2 TRP 72 HB2 TRP 72 -2.970 2.243 6.725 544 HB3 TRP 72 HB3 TRP 72 -3.352 3.873 7.274 545 HD1 TRP 72 HD1 TRP 72 -4.694 2.313 4.027 546 HE1 TRP 72 HE1 TRP 72 -7.256 2.193 4.174 547 HE3 TRP 72 HE3 TRP 72 -5.284 3.817 8.859 548 HZ2 TRP 72 HZ2 TRP 72 -9.264 2.637 6.096 549 HZ3 TRP 72 HZ3 TRP 72 -7.560 3.924 9.785 550 HH2 TRP 72 HH2 TRP 72 -9.508 3.354 8.437 551 H ALA 73 H ALA 73 -2.071 5.912 6.568 552 HA ALA 73 HA ALA 73 -4.045 7.613 5.477 553 HB1 ALA 73 HB1 ALA 73 -1.469 8.353 6.858 554 HB2 ALA 73 HB2 ALA 73 -3.009 8.025 7.651 555 HB3 ALA 73 HB3 ALA 73 -2.842 9.424 6.589 556 H LEU 74 H LEU 74 -0.874 6.734 4.433 557 HA LEU 74 HA LEU 74 -0.551 8.881 2.559 558 HB2 LEU 74 HB2 LEU 74 0.909 6.355 3.199 559 HB3 LEU 74 HB3 LEU 74 1.254 7.193 1.702 560 HG LEU 74 HG LEU 74 1.524 8.416 4.452 561 HD11 LEU 74 HD11 LEU 74 3.620 7.387 2.551 562 HD12 LEU 74 HD12 LEU 74 3.149 6.632 4.074 563 HD13 LEU 74 HD13 LEU 74 3.920 8.219 4.076 564 HD21 LEU 74 HD21 LEU 74 2.362 9.397 1.729 565 HD22 LEU 74 HD22 LEU 74 2.658 10.209 3.265 566 HD23 LEU 74 HD23 LEU 74 1.008 10.019 2.673 567 H ALA 75 H ALA 75 -1.739 5.573 2.456 568 HA ALA 75 HA ALA 75 -1.359 5.262 -0.340 569 HB1 ALA 75 HB1 ALA 75 -2.556 3.154 -0.069 570 HB2 ALA 75 HB2 ALA 75 -3.038 3.633 1.560 571 HB3 ALA 75 HB3 ALA 75 -1.335 3.366 1.184 572 H ASP 76 H ASP 76 -4.509 5.071 1.395 573 HA ASP 76 HA ASP 76 -5.844 5.832 -1.012 574 HB2 ASP 76 HB2 ASP 76 -7.896 5.867 0.487 575 HB3 ASP 76 HB3 ASP 76 -7.091 4.324 0.290 576 H MET 77 H MET 77 -5.201 7.741 -1.613 577 HA MET 77 HA MET 77 -4.779 9.988 0.005 578 HB2 MET 77 HB2 MET 77 -5.335 9.721 -2.949 579 HB3 MET 77 HB3 MET 77 -4.909 11.245 -2.180 580 HG2 MET 77 HG2 MET 77 -2.760 10.447 -1.587 581 HG3 MET 77 HG3 MET 77 -3.180 8.791 -2.020 582 HE1 MET 77 HE1 MET 77 -3.199 7.834 -4.417 583 HE2 MET 77 HE2 MET 77 -3.257 8.829 -5.873 584 HE3 MET 77 HE3 MET 77 -4.587 8.880 -4.715 585 H ASN 78 H ASN 78 -7.643 8.701 -1.506 586 HA ASN 78 HA ASN 78 -9.208 11.090 -0.985 587 HB2 ASN 78 HB2 ASN 78 -10.902 10.075 -2.178 588 HB3 ASN 78 HB3 ASN 78 -9.519 9.218 -2.847 589 HD21 ASN 78 HD21 ASN 78 -9.081 7.070 -2.098 590 HD22 ASN 78 HD22 ASN 78 -10.357 6.111 -1.414 591 H ASN 79 H ASN 79 -8.094 8.477 0.753 592 HA ASN 79 HA ASN 79 -8.674 7.314 2.606 593 HB2 ASN 79 HB2 ASN 79 -7.982 9.576 3.474 594 HB3 ASN 79 HB3 ASN 79 -9.693 9.978 3.596 595 HD21 ASN 79 HD21 ASN 79 -8.207 6.833 4.230 596 HD22 ASN 79 HD22 ASN 79 -8.600 6.809 5.923 597 H ASP 80 H ASP 80 -10.333 6.128 1.468 598 HA ASP 80 HA ASP 80 -13.078 6.970 2.047 599 HB2 ASP 80 HB2 ASP 80 -13.780 5.282 0.459 600 HB3 ASP 80 HB3 ASP 80 -12.503 6.254 -0.267 601 H GLY 81 H GLY 81 -10.784 4.383 2.714 602 HA2 GLY 81 HA2 GLY 81 -10.819 3.334 4.878 603 HA3 GLY 81 HA3 GLY 81 -12.565 3.524 4.898 604 H ARG 82 H ARG 82 -11.720 2.556 1.841 605 HA ARG 82 HA ARG 82 -11.759 -0.307 2.550 606 HB2 ARG 82 HB2 ARG 82 -13.037 1.077 0.192 607 HB3 ARG 82 HB3 ARG 82 -12.730 -0.649 0.211 608 HG2 ARG 82 HG2 ARG 82 -14.994 -0.347 0.792 609 HG3 ARG 82 HG3 ARG 82 -14.148 -0.775 2.279 610 HD2 ARG 82 HD2 ARG 82 -15.787 1.061 2.568 611 HD3 ARG 82 HD3 ARG 82 -14.139 1.513 3.001 612 HE ARG 82 HE ARG 82 -14.046 2.564 0.714 613 HH11 ARG 82 HH11 ARG 82 -17.080 2.135 2.403 614 HH12 ARG 82 HH12 ARG 82 -17.826 3.528 1.682 615 HH21 ARG 82 HH21 ARG 82 -15.035 4.400 -0.237 616 HH22 ARG 82 HH22 ARG 82 -16.670 4.811 0.193 617 H MET 83 H MET 83 -10.475 2.232 0.602 618 HA MET 83 HA MET 83 -8.537 2.505 -0.513 619 HB2 MET 83 HB2 MET 83 -7.384 1.308 1.268 620 HB3 MET 83 HB3 MET 83 -7.821 -0.236 0.548 621 HG2 MET 83 HG2 MET 83 -6.473 0.281 -1.408 622 HG3 MET 83 HG3 MET 83 -6.060 1.848 -0.717 623 HE1 MET 83 HE1 MET 83 -5.667 1.165 2.334 624 HE2 MET 83 HE2 MET 83 -4.536 2.171 1.428 625 HE3 MET 83 HE3 MET 83 -3.937 0.829 2.404 626 H ASP 84 H ASP 84 -9.304 2.636 -2.515 627 HA ASP 84 HA ASP 84 -10.221 0.449 -4.070 628 HB2 ASP 84 HB2 ASP 84 -10.851 2.797 -4.535 629 HB3 ASP 84 HB3 ASP 84 -9.189 3.150 -4.991 630 H GLN 85 H GLN 85 -9.134 -0.027 -6.246 631 HA GLN 85 HA GLN 85 -6.727 -1.384 -5.669 632 HB2 GLN 85 HB2 GLN 85 -7.680 -0.731 -8.450 633 HB3 GLN 85 HB3 GLN 85 -6.831 -2.165 -7.892 634 HG2 GLN 85 HG2 GLN 85 -9.696 -1.425 -7.337 635 HG3 GLN 85 HG3 GLN 85 -9.115 -2.718 -8.381 636 HE21 GLN 85 HE21 GLN 85 -9.756 -1.728 -5.118 637 HE22 GLN 85 HE22 GLN 85 -9.462 -3.258 -4.375 638 H VAL 86 H VAL 86 -7.410 1.727 -7.210 639 HA VAL 86 HA VAL 86 -4.738 2.153 -8.108 640 HB VAL 86 HB VAL 86 -6.606 3.409 -9.079 641 HG11 VAL 86 HG11 VAL 86 -6.789 4.792 -6.408 642 HG12 VAL 86 HG12 VAL 86 -7.990 3.701 -7.100 643 HG13 VAL 86 HG13 VAL 86 -7.661 5.255 -7.869 644 HG21 VAL 86 HG21 VAL 86 -4.378 4.356 -9.252 645 HG22 VAL 86 HG22 VAL 86 -4.582 5.170 -7.701 646 HG23 VAL 86 HG23 VAL 86 -5.575 5.641 -9.080 647 H GLU 87 H GLU 87 -6.486 2.958 -5.150 648 HA GLU 87 HA GLU 87 -4.407 4.471 -3.932 649 HB2 GLU 87 HB2 GLU 87 -6.516 2.878 -2.461 650 HB3 GLU 87 HB3 GLU 87 -5.706 4.343 -1.929 651 HG2 GLU 87 HG2 GLU 87 -7.567 4.254 -4.287 652 HG3 GLU 87 HG3 GLU 87 -8.106 4.582 -2.644 653 H PHE 88 H PHE 88 -5.372 1.087 -3.883 654 HA PHE 88 HA PHE 88 -3.492 0.155 -2.000 655 HB2 PHE 88 HB2 PHE 88 -5.477 -1.127 -2.639 656 HB3 PHE 88 HB3 PHE 88 -4.863 -1.293 -4.279 657 HD1 PHE 88 HD1 PHE 88 -4.318 -2.270 -0.769 658 HD2 PHE 88 HD2 PHE 88 -3.324 -2.998 -4.841 659 HE1 PHE 88 HE1 PHE 88 -3.199 -4.362 -0.116 660 HE2 PHE 88 HE2 PHE 88 -2.203 -5.093 -4.198 661 HZ PHE 88 HZ PHE 88 -2.139 -5.777 -1.834 662 H SER 89 H SER 89 -3.275 0.838 -5.411 663 HA SER 89 HA SER 89 -1.127 -0.806 -6.077 664 HB2 SER 89 HB2 SER 89 -2.036 1.812 -7.270 665 HB3 SER 89 HB3 SER 89 -0.767 0.812 -7.978 666 HG SER 89 HG SER 89 -3.473 0.071 -7.517 667 H ILE 90 H ILE 90 -1.193 2.319 -4.494 668 HA ILE 90 HA ILE 90 1.652 2.714 -4.879 669 HB ILE 90 HB ILE 90 0.017 4.615 -4.946 670 HG12 ILE 90 HG12 ILE 90 2.139 4.872 -2.805 671 HG13 ILE 90 HG13 ILE 90 2.456 4.923 -4.536 672 HG21 ILE 90 HG21 ILE 90 -0.115 4.152 -1.970 673 HG22 ILE 90 HG22 ILE 90 -1.433 3.942 -3.123 674 HG23 ILE 90 HG23 ILE 90 -0.771 5.550 -2.823 675 HD11 ILE 90 HD11 ILE 90 0.733 6.857 -3.009 676 HD12 ILE 90 HD12 ILE 90 1.083 6.919 -4.736 677 HD13 ILE 90 HD13 ILE 90 2.381 7.151 -3.564 678 H ALA 91 H ALA 91 -0.499 1.450 -2.480 679 HA ALA 91 HA ALA 91 1.263 1.794 -0.247 680 HB1 ALA 91 HB1 ALA 91 -1.159 0.018 -0.511 681 HB2 ALA 91 HB2 ALA 91 -1.176 1.704 0.009 682 HB3 ALA 91 HB3 ALA 91 -0.362 0.487 0.990 683 H MET 92 H MET 92 0.639 -0.737 -2.582 684 HA MET 92 HA MET 92 1.647 -2.892 -1.094 685 HB2 MET 92 HB2 MET 92 1.728 -4.114 -3.219 686 HB3 MET 92 HB3 MET 92 0.210 -3.262 -2.994 687 HG2 MET 92 HG2 MET 92 0.681 -2.869 -5.211 688 HG3 MET 92 HG3 MET 92 1.298 -1.414 -4.433 689 HE1 MET 92 HE1 MET 92 2.649 -0.860 -6.636 690 HE2 MET 92 HE2 MET 92 2.082 -2.339 -7.409 691 HE3 MET 92 HE3 MET 92 3.804 -1.960 -7.390 692 H LYS 93 H LYS 93 3.334 -0.431 -2.853 693 HA LYS 93 HA LYS 93 5.817 -1.971 -2.634 694 HB2 LYS 93 HB2 LYS 93 6.843 -0.172 -3.999 695 HB3 LYS 93 HB3 LYS 93 5.512 -0.980 -4.812 696 HG2 LYS 93 HG2 LYS 93 4.062 0.865 -4.457 697 HG3 LYS 93 HG3 LYS 93 5.206 1.631 -3.355 698 HD2 LYS 93 HD2 LYS 93 5.205 2.706 -5.561 699 HD3 LYS 93 HD3 LYS 93 6.769 1.985 -5.185 700 HE2 LYS 93 HE2 LYS 93 4.831 0.318 -6.684 701 HE3 LYS 93 HE3 LYS 93 5.552 1.677 -7.541 702 HZ1 LYS 93 HZ1 LYS 93 7.224 -0.256 -6.064 703 HZ2 LYS 93 HZ2 LYS 93 7.676 0.795 -7.315 704 HZ3 LYS 93 HZ3 LYS 93 6.723 -0.570 -7.647 705 H LEU 94 H LEU 94 4.136 0.752 -1.297 706 HA LEU 94 HA LEU 94 6.366 2.114 -0.216 707 HB2 LEU 94 HB2 LEU 94 3.540 2.440 -0.291 708 HB3 LEU 94 HB3 LEU 94 4.067 2.600 1.375 709 HG LEU 94 HG LEU 94 5.713 4.310 0.648 710 HD11 LEU 94 HD11 LEU 94 5.423 5.323 -1.583 711 HD12 LEU 94 HD12 LEU 94 4.311 4.020 -2.007 712 HD13 LEU 94 HD13 LEU 94 6.002 3.659 -1.660 713 HD21 LEU 94 HD21 LEU 94 2.824 4.859 -0.036 714 HD22 LEU 94 HD22 LEU 94 4.052 6.084 0.284 715 HD23 LEU 94 HD23 LEU 94 3.562 4.974 1.563 716 H ILE 95 H ILE 95 4.203 -0.355 1.086 717 HA ILE 95 HA ILE 95 5.123 -0.293 3.735 718 HB ILE 95 HB ILE 95 3.866 -2.477 2.093 719 HG12 ILE 95 HG12 ILE 95 2.501 -0.543 2.861 720 HG13 ILE 95 HG13 ILE 95 1.946 -2.090 3.492 721 HG21 ILE 95 HG21 ILE 95 5.338 -3.614 3.646 722 HG22 ILE 95 HG22 ILE 95 3.655 -3.830 4.128 723 HG23 ILE 95 HG23 ILE 95 4.676 -2.678 4.988 724 HD11 ILE 95 HD11 ILE 95 1.878 -0.345 5.185 725 HD12 ILE 95 HD12 ILE 95 3.612 -0.083 4.995 726 HD13 ILE 95 HD13 ILE 95 3.014 -1.619 5.625 727 H LYS 96 H LYS 96 6.176 -2.296 0.989 728 HA LYS 96 HA LYS 96 8.206 -3.640 2.403 729 HB2 LYS 96 HB2 LYS 96 7.517 -3.238 -0.482 730 HB3 LYS 96 HB3 LYS 96 9.046 -3.971 -0.049 731 HG2 LYS 96 HG2 LYS 96 6.303 -4.979 0.634 732 HG3 LYS 96 HG3 LYS 96 7.454 -5.703 -0.488 733 HD2 LYS 96 HD2 LYS 96 9.006 -6.087 1.396 734 HD3 LYS 96 HD3 LYS 96 7.799 -5.429 2.499 735 HE2 LYS 96 HE2 LYS 96 6.232 -7.200 1.796 736 HE3 LYS 96 HE3 LYS 96 7.489 -7.877 0.765 737 HZ1 LYS 96 HZ1 LYS 96 7.472 -7.713 3.726 738 HZ2 LYS 96 HZ2 LYS 96 8.857 -8.107 2.832 739 HZ3 LYS 96 HZ3 LYS 96 7.487 -9.105 2.760 740 H LEU 97 H LEU 97 8.090 -0.694 0.522 741 HA LEU 97 HA LEU 97 10.814 -0.080 0.388 742 HB2 LEU 97 HB2 LEU 97 9.025 1.117 -0.822 743 HB3 LEU 97 HB3 LEU 97 8.460 1.787 0.694 744 HG LEU 97 HG LEU 97 10.813 2.810 0.889 745 HD11 LEU 97 HD11 LEU 97 10.744 2.275 -2.075 746 HD12 LEU 97 HD12 LEU 97 11.819 1.488 -0.917 747 HD13 LEU 97 HD13 LEU 97 11.950 3.224 -1.205 748 HD21 LEU 97 HD21 LEU 97 8.869 3.767 -1.204 749 HD22 LEU 97 HD22 LEU 97 10.123 4.744 -0.441 750 HD23 LEU 97 HD23 LEU 97 8.793 4.105 0.525 751 H LYS 98 H LYS 98 8.403 0.522 2.889 752 HA LYS 98 HA LYS 98 10.079 2.021 4.619 753 HB2 LYS 98 HB2 LYS 98 7.586 1.993 4.731 754 HB3 LYS 98 HB3 LYS 98 7.659 0.342 5.324 755 HG2 LYS 98 HG2 LYS 98 7.455 1.423 7.297 756 HG3 LYS 98 HG3 LYS 98 9.211 1.446 7.157 757 HD2 LYS 98 HD2 LYS 98 7.403 3.706 6.279 758 HD3 LYS 98 HD3 LYS 98 8.183 3.621 7.855 759 HE2 LYS 98 HE2 LYS 98 9.657 4.950 6.705 760 HE3 LYS 98 HE3 LYS 98 10.362 3.359 6.433 761 HZ1 LYS 98 HZ1 LYS 98 10.315 4.565 4.385 762 HZ2 LYS 98 HZ2 LYS 98 8.661 4.896 4.543 763 HZ3 LYS 98 HZ3 LYS 98 9.182 3.310 4.279 764 H LEU 99 H LEU 99 9.341 -1.402 4.291 765 HA LEU 99 HA LEU 99 10.741 -2.278 6.591 766 HB2 LEU 99 HB2 LEU 99 9.858 -3.666 4.074 767 HB3 LEU 99 HB3 LEU 99 10.704 -4.510 5.358 768 HG LEU 99 HG LEU 99 8.106 -3.036 5.789 769 HD11 LEU 99 HD11 LEU 99 8.555 -5.964 5.224 770 HD12 LEU 99 HD12 LEU 99 7.765 -4.810 4.151 771 HD13 LEU 99 HD13 LEU 99 7.025 -5.226 5.696 772 HD21 LEU 99 HD21 LEU 99 9.524 -3.446 7.769 773 HD22 LEU 99 HD22 LEU 99 9.502 -5.171 7.402 774 HD23 LEU 99 HD23 LEU 99 8.004 -4.340 7.825 775 H GLN 100 H GLN 100 11.720 -1.592 3.299 776 HA GLN 100 HA GLN 100 14.290 -2.821 3.523 777 HB2 GLN 100 HB2 GLN 100 13.248 -0.756 1.579 778 HB3 GLN 100 HB3 GLN 100 14.831 -1.506 1.461 779 HG2 GLN 100 HG2 GLN 100 12.155 -2.854 1.226 780 HG3 GLN 100 HG3 GLN 100 13.347 -2.604 -0.048 781 HE21 GLN 100 HE21 GLN 100 15.243 -3.857 -0.052 782 HE22 GLN 100 HE22 GLN 100 15.343 -5.338 0.837 783 H GLY 101 H GLY 101 12.975 0.041 4.744 784 HA2 GLY 101 HA2 GLY 101 14.081 1.328 6.378 785 HA3 GLY 101 HA3 GLY 101 15.619 0.802 5.718 786 H TYR 102 H TYR 102 13.332 1.899 3.399 787 HA TYR 102 HA TYR 102 14.953 4.265 2.941 788 HB2 TYR 102 HB2 TYR 102 12.657 3.080 1.377 789 HB3 TYR 102 HB3 TYR 102 13.485 4.561 0.924 790 HD1 TYR 102 HD1 TYR 102 15.989 4.431 0.462 791 HD2 TYR 102 HD2 TYR 102 13.487 1.002 0.695 792 HE1 TYR 102 HE1 TYR 102 17.663 3.137 -0.785 793 HE2 TYR 102 HE2 TYR 102 15.158 -0.304 -0.546 794 HH TYR 102 HH TYR 102 17.025 0.210 -2.211 795 H GLN 103 H GLN 103 13.917 6.342 2.542 796 HA GLN 103 HA GLN 103 12.133 6.918 4.762 797 HB2 GLN 103 HB2 GLN 103 14.175 8.265 4.417 798 HB3 GLN 103 HB3 GLN 103 13.559 8.787 2.856 799 HG2 GLN 103 HG2 GLN 103 11.730 9.942 3.915 800 HG3 GLN 103 HG3 GLN 103 12.222 9.332 5.494 801 HE21 GLN 103 HE21 GLN 103 14.065 10.168 6.472 802 HE22 GLN 103 HE22 GLN 103 14.764 11.674 5.980 803 H LEU 104 H LEU 104 10.097 7.692 4.608 804 HA LEU 104 HA LEU 104 8.964 8.754 2.238 805 HB2 LEU 104 HB2 LEU 104 9.114 6.151 1.900 806 HB3 LEU 104 HB3 LEU 104 7.707 6.133 2.945 807 HG LEU 104 HG LEU 104 7.159 6.067 0.517 808 HD11 LEU 104 HD11 LEU 104 6.200 8.512 1.988 809 HD12 LEU 104 HD12 LEU 104 5.500 6.895 2.073 810 HD13 LEU 104 HD13 LEU 104 5.436 7.806 0.564 811 HD21 LEU 104 HD21 LEU 104 8.978 7.473 -0.285 812 HD22 LEU 104 HD22 LEU 104 8.265 8.867 0.528 813 HD23 LEU 104 HD23 LEU 104 7.412 8.096 -0.809 814 HA PRO 105 HA PRO 105 6.715 9.853 6.062 815 HB2 PRO 105 HB2 PRO 105 6.837 12.585 5.240 816 HB3 PRO 105 HB3 PRO 105 7.753 11.807 6.530 817 HG2 PRO 105 HG2 PRO 105 8.843 12.806 4.187 818 HG3 PRO 105 HG3 PRO 105 9.613 11.608 5.241 819 HD2 PRO 105 HD2 PRO 105 8.102 11.205 2.692 820 HD3 PRO 105 HD3 PRO 105 9.544 10.361 3.298 821 H SER 106 H SER 106 5.063 12.039 5.975 822 HA SER 106 HA SER 106 2.773 10.897 4.748 823 HB2 SER 106 HB2 SER 106 1.789 13.166 5.585 824 HB3 SER 106 HB3 SER 106 2.346 11.966 6.746 825 HG SER 106 HG SER 106 3.769 14.257 5.846 826 H ALA 107 H ALA 107 5.184 12.656 3.450 827 HA ALA 107 HA ALA 107 3.494 14.041 1.512 828 HB1 ALA 107 HB1 ALA 107 5.543 15.126 0.751 829 HB2 ALA 107 HB2 ALA 107 6.487 14.145 1.872 830 HB3 ALA 107 HB3 ALA 107 5.329 15.322 2.491 831 H LEU 108 H LEU 108 2.786 12.658 -0.023 832 HA LEU 108 HA LEU 108 4.341 10.461 -0.990 833 HB2 LEU 108 HB2 LEU 108 1.770 11.743 -1.870 834 HB3 LEU 108 HB3 LEU 108 2.542 10.520 -2.858 835 HG LEU 108 HG LEU 108 1.492 10.146 -0.044 836 HD11 LEU 108 HD11 LEU 108 -0.078 8.624 -1.126 837 HD12 LEU 108 HD12 LEU 108 0.587 9.060 -2.700 838 HD13 LEU 108 HD13 LEU 108 -0.244 10.273 -1.726 839 HD21 LEU 108 HD21 LEU 108 2.840 8.169 -1.878 840 HD22 LEU 108 HD22 LEU 108 2.106 7.807 -0.315 841 HD23 LEU 108 HD23 LEU 108 3.529 8.844 -0.400 842 HA PRO 109 HA PRO 109 6.697 12.628 -4.055 843 HB2 PRO 109 HB2 PRO 109 7.027 10.123 -5.500 844 HB3 PRO 109 HB3 PRO 109 8.217 11.026 -4.560 845 HG2 PRO 109 HG2 PRO 109 7.224 8.619 -3.783 846 HG3 PRO 109 HG3 PRO 109 7.777 9.855 -2.638 847 HD2 PRO 109 HD2 PRO 109 4.987 9.164 -3.482 848 HD3 PRO 109 HD3 PRO 109 5.609 9.565 -1.866 849 HA PRO 110 HA PRO 110 4.023 13.569 -7.425 850 HB2 PRO 110 HB2 PRO 110 5.887 14.041 -9.408 851 HB3 PRO 110 HB3 PRO 110 5.424 15.204 -8.163 852 HG2 PRO 110 HG2 PRO 110 7.793 13.391 -8.277 853 HG3 PRO 110 HG3 PRO 110 7.690 15.072 -7.722 854 HD2 PRO 110 HD2 PRO 110 7.800 13.025 -5.986 855 HD3 PRO 110 HD3 PRO 110 6.825 14.471 -5.657 856 H VAL 111 H VAL 111 6.672 11.345 -8.196 857 HA VAL 111 HA VAL 111 5.512 10.298 -10.556 858 HB VAL 111 HB VAL 111 7.926 10.194 -9.992 859 HG11 VAL 111 HG11 VAL 111 7.784 9.593 -7.649 860 HG12 VAL 111 HG12 VAL 111 8.763 8.419 -8.529 861 HG13 VAL 111 HG13 VAL 111 7.105 8.021 -8.078 862 HG21 VAL 111 HG21 VAL 111 6.665 7.525 -10.578 863 HG22 VAL 111 HG22 VAL 111 8.336 7.972 -10.917 864 HG23 VAL 111 HG23 VAL 111 7.018 8.787 -11.759 865 H MET 112 H MET 112 4.996 9.687 -7.236 866 HA MET 112 HA MET 112 3.831 7.065 -7.673 867 HB2 MET 112 HB2 MET 112 4.404 8.714 -5.235 868 HB3 MET 112 HB3 MET 112 3.331 7.326 -5.140 869 HG2 MET 112 HG2 MET 112 6.023 7.000 -6.367 870 HG3 MET 112 HG3 MET 112 5.873 7.094 -4.615 871 HE1 MET 112 HE1 MET 112 4.943 5.069 -7.858 872 HE2 MET 112 HE2 MET 112 3.349 5.485 -7.226 873 HE3 MET 112 HE3 MET 112 3.898 3.809 -7.203 874 H LYS 113 H LYS 113 2.760 10.335 -6.843 875 HA LYS 113 HA LYS 113 0.048 9.462 -6.437 876 HB2 LYS 113 HB2 LYS 113 -0.453 11.892 -6.203 877 HB3 LYS 113 HB3 LYS 113 0.788 11.307 -5.108 878 HG2 LYS 113 HG2 LYS 113 2.124 12.927 -5.805 879 HG3 LYS 113 HG3 LYS 113 2.107 12.225 -7.425 880 HD2 LYS 113 HD2 LYS 113 0.115 13.511 -7.970 881 HD3 LYS 113 HD3 LYS 113 0.092 14.190 -6.340 882 HE2 LYS 113 HE2 LYS 113 2.315 15.184 -6.769 883 HE3 LYS 113 HE3 LYS 113 2.244 14.574 -8.421 884 HZ1 LYS 113 HZ1 LYS 113 0.314 15.943 -8.828 885 HZ2 LYS 113 HZ2 LYS 113 1.587 16.910 -8.258 886 HZ3 LYS 113 HZ3 LYS 113 0.317 16.487 -7.220 887 H GLN 114 H GLN 114 1.750 11.322 -8.945 888 HA GLN 114 HA GLN 114 1.209 11.859 -11.092 889 HB2 GLN 114 HB2 GLN 114 -0.277 9.235 -10.866 890 HB3 GLN 114 HB3 GLN 114 0.081 10.058 -12.377 891 HG2 GLN 114 HG2 GLN 114 2.186 9.141 -10.441 892 HG3 GLN 114 HG3 GLN 114 1.617 8.179 -11.801 893 HE21 GLN 114 HE21 GLN 114 3.404 10.996 -10.830 894 HE22 GLN 114 HE22 GLN 114 4.180 11.268 -12.352 895 H GLN 115 H GLN 115 -1.175 11.208 -12.549 896 HA GLN 115 HA GLN 115 -3.298 11.760 -12.991 897 HB2 GLN 115 HB2 GLN 115 -4.928 11.343 -11.397 898 HB3 GLN 115 HB3 GLN 115 -3.581 10.358 -10.868 899 HG2 GLN 115 HG2 GLN 115 -3.005 12.232 -9.273 900 HG3 GLN 115 HG3 GLN 115 -4.571 12.931 -9.684 901 HE21 GLN 115 HE21 GLN 115 -2.920 10.273 -8.177 902 HE22 GLN 115 HE22 GLN 115 -4.279 9.671 -7.289 903 HA PRO 116 HA PRO 116 -3.885 16.144 -12.661 904 HB2 PRO 116 HB2 PRO 116 -6.765 16.016 -12.729 905 HB3 PRO 116 HB3 PRO 116 -5.656 16.436 -14.034 906 HG2 PRO 116 HG2 PRO 116 -7.179 14.158 -13.974 907 HG3 PRO 116 HG3 PRO 116 -5.674 14.333 -14.892 908 HD2 PRO 116 HD2 PRO 116 -6.158 12.984 -12.270 909 HD3 PRO 116 HD3 PRO 116 -5.073 12.522 -13.598 910 H VAL 117 H VAL 117 -3.950 17.570 -11.038 911 HA VAL 117 HA VAL 117 -5.401 16.795 -8.595 912 HB VAL 117 HB VAL 117 -3.874 18.344 -7.386 913 HG11 VAL 117 HG11 VAL 117 -2.468 16.189 -8.962 914 HG12 VAL 117 HG12 VAL 117 -3.426 15.933 -7.503 915 HG13 VAL 117 HG13 VAL 117 -1.935 16.874 -7.426 916 HG21 VAL 117 HG21 VAL 117 -2.413 18.482 -10.026 917 HG22 VAL 117 HG22 VAL 117 -1.829 19.120 -8.490 918 HG23 VAL 117 HG23 VAL 117 -3.266 19.813 -9.244 919 H ALA 118 H ALA 118 -6.472 18.440 -7.397 920 HA ALA 118 HA ALA 118 -7.961 20.127 -7.146 921 HB1 ALA 118 HB1 ALA 118 -7.453 22.310 -8.122 922 HB2 ALA 118 HB2 ALA 118 -6.226 21.570 -9.150 923 HB3 ALA 118 HB3 ALA 118 -6.019 21.581 -7.398 924 H ILE 119 H ILE 119 -9.750 19.097 -7.935 925 HA ILE 119 HA ILE 119 -10.329 19.413 -10.804 926 HB ILE 119 HB ILE 119 -11.634 17.536 -8.827 927 HG12 ILE 119 HG12 ILE 119 -9.304 16.900 -9.254 928 HG13 ILE 119 HG13 ILE 119 -10.413 15.749 -9.989 929 HG21 ILE 119 HG21 ILE 119 -11.911 17.766 -11.822 930 HG22 ILE 119 HG22 ILE 119 -13.141 18.151 -10.617 931 HG23 ILE 119 HG23 ILE 119 -12.608 16.484 -10.831 932 HD11 ILE 119 HD11 ILE 119 -8.525 16.241 -11.447 933 HD12 ILE 119 HD12 ILE 119 -8.957 17.951 -11.439 934 HD13 ILE 119 HD13 ILE 119 -10.044 16.771 -12.168 935 H SER 120 H SER 120 -11.409 21.241 -11.106 936 HA SER 120 HA SER 120 -13.953 21.588 -9.739 937 HB2 SER 120 HB2 SER 120 -11.869 23.787 -9.845 938 HB3 SER 120 HB3 SER 120 -13.510 23.948 -9.218 939 HG SER 120 HG SER 120 -12.420 21.881 -7.991 940 H SER 121 H SER 121 -15.239 23.359 -10.830 941 HA SER 121 HA SER 121 -14.453 23.903 -13.573 942 HB2 SER 121 HB2 SER 121 -15.534 21.640 -13.596 943 HB3 SER 121 HB3 SER 121 -17.003 22.384 -12.966 944 HG SER 121 HG SER 121 -17.298 22.374 -15.121 Start of MODEL 18 1 H1 MET 1 H1 MET 1 28.512 -50.659 -39.489 2 H2 MET 1 H2 MET 1 28.785 -49.923 -40.991 3 H3 MET 1 H3 MET 1 28.526 -48.967 -39.620 4 HA MET 1 HA MET 1 30.564 -49.790 -38.635 5 HB2 MET 1 HB2 MET 1 30.804 -51.215 -41.288 6 HB3 MET 1 HB3 MET 1 32.157 -50.976 -40.194 7 HG2 MET 1 HG2 MET 1 30.984 -52.255 -38.471 8 HG3 MET 1 HG3 MET 1 29.642 -52.508 -39.584 9 HE1 MET 1 HE1 MET 1 33.440 -53.163 -38.903 10 HE2 MET 1 HE2 MET 1 33.482 -52.509 -40.541 11 HE3 MET 1 HE3 MET 1 33.884 -54.202 -40.256 12 H GLY 2 H GLY 2 32.879 -49.362 -40.069 13 HA2 GLY 2 HA2 GLY 2 34.073 -47.722 -41.189 14 HA3 GLY 2 HA3 GLY 2 32.550 -47.062 -41.779 15 H HIS 3 H HIS 3 33.490 -47.712 -38.452 16 HA HIS 3 HA HIS 3 32.522 -45.120 -37.683 17 HB2 HIS 3 HB2 HIS 3 32.126 -47.116 -36.276 18 HB3 HIS 3 HB3 HIS 3 33.858 -47.241 -35.985 19 HD1 HIS 3 HD1 HIS 3 34.617 -46.187 -33.884 20 HD2 HIS 3 HD2 HIS 3 31.122 -44.443 -35.317 21 HE1 HIS 3 HE1 HIS 3 33.960 -44.469 -32.167 22 HE2 HIS 3 HE2 HIS 3 31.959 -43.295 -33.157 23 H HIS 4 H HIS 4 33.946 -43.733 -38.749 24 HA HIS 4 HA HIS 4 36.175 -43.105 -37.015 25 HB2 HIS 4 HB2 HIS 4 37.729 -42.645 -38.876 26 HB3 HIS 4 HB3 HIS 4 37.312 -44.346 -38.764 27 HD1 HIS 4 HD1 HIS 4 37.270 -41.459 -41.040 28 HD2 HIS 4 HD2 HIS 4 35.598 -45.266 -40.897 29 HE1 HIS 4 HE1 HIS 4 36.540 -41.972 -43.396 30 HE2 HIS 4 HE2 HIS 4 35.474 -44.253 -43.278 31 H HIS 5 H HIS 5 35.153 -41.389 -36.231 32 HA HIS 5 HA HIS 5 34.657 -39.163 -38.063 33 HB2 HIS 5 HB2 HIS 5 32.538 -40.620 -37.595 34 HB3 HIS 5 HB3 HIS 5 32.572 -39.855 -36.009 35 HD1 HIS 5 HD1 HIS 5 30.980 -39.500 -39.119 36 HD2 HIS 5 HD2 HIS 5 32.740 -36.810 -36.474 37 HE1 HIS 5 HE1 HIS 5 30.019 -37.247 -39.699 38 HE2 HIS 5 HE2 HIS 5 31.231 -35.616 -38.205 39 H HIS 6 H HIS 6 36.165 -37.833 -37.202 40 HA HIS 6 HA HIS 6 35.908 -37.193 -34.339 41 HB2 HIS 6 HB2 HIS 6 38.531 -37.517 -35.813 42 HB3 HIS 6 HB3 HIS 6 38.341 -37.006 -34.138 43 HD1 HIS 6 HD1 HIS 6 36.885 -38.959 -32.686 44 HD2 HIS 6 HD2 HIS 6 39.121 -40.125 -35.996 45 HE1 HIS 6 HE1 HIS 6 37.288 -41.426 -32.400 46 HE2 HIS 6 HE2 HIS 6 38.471 -42.140 -34.512 47 H HIS 7 H HIS 7 35.584 -35.102 -34.023 48 HA HIS 7 HA HIS 7 37.052 -33.143 -35.573 49 HB2 HIS 7 HB2 HIS 7 34.617 -33.775 -36.569 50 HB3 HIS 7 HB3 HIS 7 34.149 -32.543 -35.400 51 HD1 HIS 7 HD1 HIS 7 36.074 -33.036 -38.570 52 HD2 HIS 7 HD2 HIS 7 34.885 -29.929 -36.069 53 HE1 HIS 7 HE1 HIS 7 36.559 -30.921 -39.839 54 HE2 HIS 7 HE2 HIS 7 35.975 -29.053 -38.256 55 H HIS 8 H HIS 8 37.187 -31.117 -34.502 56 HA HIS 8 HA HIS 8 36.206 -31.179 -31.717 57 HB2 HIS 8 HB2 HIS 8 38.641 -31.574 -31.911 58 HB3 HIS 8 HB3 HIS 8 38.811 -30.042 -32.758 59 HD1 HIS 8 HD1 HIS 8 39.126 -27.993 -31.355 60 HD2 HIS 8 HD2 HIS 8 37.881 -31.286 -29.138 61 HE1 HIS 8 HE1 HIS 8 39.306 -27.297 -28.941 62 HE2 HIS 8 HE2 HIS 8 38.672 -29.345 -27.616 63 H SER 9 H SER 9 35.101 -29.430 -31.026 64 HA SER 9 HA SER 9 35.245 -26.938 -32.557 65 HB2 SER 9 HB2 SER 9 32.655 -28.406 -31.991 66 HB3 SER 9 HB3 SER 9 32.792 -26.817 -32.742 67 HG SER 9 HG SER 9 34.100 -27.911 -34.388 68 H HIS 10 H HIS 10 34.829 -25.106 -31.380 69 HA HIS 10 HA HIS 10 33.782 -25.399 -28.652 70 HB2 HIS 10 HB2 HIS 10 36.469 -24.450 -29.424 71 HB3 HIS 10 HB3 HIS 10 35.613 -23.425 -28.278 72 HD1 HIS 10 HD1 HIS 10 36.024 -24.007 -25.928 73 HD2 HIS 10 HD2 HIS 10 36.442 -27.305 -28.426 74 HE1 HIS 10 HE1 HIS 10 36.752 -25.900 -24.438 75 HE2 HIS 10 HE2 HIS 10 37.129 -27.850 -25.993 76 H MET 11 H MET 11 32.200 -24.008 -28.296 77 HA MET 11 HA MET 11 32.339 -21.361 -29.535 78 HB2 MET 11 HB2 MET 11 30.899 -22.748 -30.996 79 HB3 MET 11 HB3 MET 11 29.858 -23.091 -29.621 80 HG2 MET 11 HG2 MET 11 29.312 -20.724 -29.432 81 HG3 MET 11 HG3 MET 11 30.371 -20.368 -30.796 82 HE1 MET 11 HE1 MET 11 27.404 -19.381 -30.683 83 HE2 MET 11 HE2 MET 11 26.817 -19.771 -32.300 84 HE3 MET 11 HE3 MET 11 28.435 -19.102 -32.087 85 H ALA 12 H ALA 12 32.881 -20.591 -27.499 86 HA ALA 12 HA ALA 12 30.651 -20.575 -25.573 87 HB1 ALA 12 HB1 ALA 12 32.284 -20.433 -23.761 88 HB2 ALA 12 HB2 ALA 12 33.599 -20.534 -24.933 89 HB3 ALA 12 HB3 ALA 12 32.511 -21.904 -24.711 90 H GLN 13 H GLN 13 29.799 -18.655 -25.335 91 HA GLN 13 HA GLN 13 31.468 -16.289 -25.147 92 HB2 GLN 13 HB2 GLN 13 31.000 -16.444 -27.567 93 HB3 GLN 13 HB3 GLN 13 29.276 -16.493 -27.225 94 HG2 GLN 13 HG2 GLN 13 29.351 -14.252 -26.333 95 HG3 GLN 13 HG3 GLN 13 31.101 -14.200 -26.543 96 HE21 GLN 13 HE21 GLN 13 31.017 -12.428 -27.878 97 HE22 GLN 13 HE22 GLN 13 30.410 -12.499 -29.501 98 H PHE 14 H PHE 14 30.788 -15.637 -23.185 99 HA PHE 14 HA PHE 14 27.885 -15.518 -22.724 100 HB2 PHE 14 HB2 PHE 14 29.042 -17.392 -21.500 101 HB3 PHE 14 HB3 PHE 14 29.948 -16.171 -20.615 102 HD1 PHE 14 HD2 PHE 14 26.604 -17.582 -21.207 103 HD2 PHE 14 HD1 PHE 14 28.961 -14.976 -18.809 104 HE1 PHE 14 HE2 PHE 14 24.773 -17.443 -19.567 105 HE2 PHE 14 HE1 PHE 14 27.138 -14.837 -17.164 106 HZ PHE 14 HZ PHE 14 25.040 -16.068 -17.545 107 HA PRO 15 HA PRO 15 29.071 -11.292 -21.740 108 HB2 PRO 15 HB2 PRO 15 26.642 -10.216 -22.091 109 HB3 PRO 15 HB3 PRO 15 27.650 -10.699 -23.459 110 HG2 PRO 15 HG2 PRO 15 25.289 -12.068 -22.270 111 HG3 PRO 15 HG3 PRO 15 25.791 -11.956 -23.965 112 HD2 PRO 15 HD2 PRO 15 26.229 -14.138 -22.277 113 HD3 PRO 15 HD3 PRO 15 27.070 -13.829 -23.806 114 H THR 16 H THR 16 28.964 -10.124 -19.871 115 HA THR 16 HA THR 16 26.953 -10.892 -17.869 116 HB THR 16 HB THR 16 28.902 -10.502 -16.168 117 HG1 THR 16 HG1 THR 16 30.669 -10.054 -17.297 118 HG21 THR 16 HG21 THR 16 27.686 -12.614 -16.450 119 HG22 THR 16 HG22 THR 16 29.407 -12.891 -16.177 120 HG23 THR 16 HG23 THR 16 28.736 -13.036 -17.803 121 HA PRO 17 HA PRO 17 27.135 -6.335 -17.925 122 HB2 PRO 17 HB2 PRO 17 24.541 -5.854 -18.292 123 HB3 PRO 17 HB3 PRO 17 25.563 -6.386 -19.633 124 HG2 PRO 17 HG2 PRO 17 23.579 -7.928 -18.030 125 HG3 PRO 17 HG3 PRO 17 23.981 -8.059 -19.750 126 HD2 PRO 17 HD2 PRO 17 24.942 -9.706 -17.682 127 HD3 PRO 17 HD3 PRO 17 25.571 -9.617 -19.337 128 H PHE 18 H PHE 18 25.624 -4.744 -16.658 129 HA PHE 18 HA PHE 18 24.416 -5.876 -14.280 130 HB2 PHE 18 HB2 PHE 18 25.771 -4.564 -12.703 131 HB3 PHE 18 HB3 PHE 18 26.760 -5.717 -13.590 132 HD1 PHE 18 HD1 PHE 18 28.314 -4.927 -15.334 133 HD2 PHE 18 HD2 PHE 18 26.107 -2.216 -12.907 134 HE1 PHE 18 HE1 PHE 18 29.833 -3.110 -15.991 135 HE2 PHE 18 HE2 PHE 18 27.621 -0.390 -13.565 136 HZ PHE 18 HZ PHE 18 29.487 -0.836 -15.109 137 H GLY 19 H GLY 19 23.069 -4.421 -13.167 138 HA2 GLY 19 HA2 GLY 19 22.889 -1.657 -13.884 139 HA3 GLY 19 HA3 GLY 19 21.613 -2.613 -14.628 140 H GLY 20 H GLY 20 20.025 -1.497 -13.384 141 HA2 GLY 20 HA2 GLY 20 18.441 -1.814 -11.699 142 HA3 GLY 20 HA3 GLY 20 19.594 -2.818 -10.831 143 H SER 21 H SER 21 18.735 -1.581 -8.995 144 HA SER 21 HA SER 21 19.014 -0.077 -7.323 145 HB2 SER 21 HB2 SER 21 21.454 0.758 -8.907 146 HB3 SER 21 HB3 SER 21 21.091 1.278 -7.262 147 HG SER 21 HG SER 21 21.175 -1.473 -7.874 148 H LEU 22 H LEU 22 17.548 0.555 -9.850 149 HA LEU 22 HA LEU 22 17.055 3.347 -9.216 150 HB2 LEU 22 HB2 LEU 22 18.804 3.169 -11.092 151 HB3 LEU 22 HB3 LEU 22 17.501 2.552 -12.088 152 HG LEU 22 HG LEU 22 16.270 4.652 -11.810 153 HD11 LEU 22 HD11 LEU 22 17.058 5.260 -9.588 154 HD12 LEU 22 HD12 LEU 22 17.336 6.574 -10.731 155 HD13 LEU 22 HD13 LEU 22 18.677 5.545 -10.228 156 HD21 LEU 22 HD21 LEU 22 19.128 5.046 -12.691 157 HD22 LEU 22 HD22 LEU 22 17.762 6.077 -13.116 158 HD23 LEU 22 HD23 LEU 22 17.814 4.409 -13.681 159 H ASP 23 H ASP 23 15.196 3.937 -11.164 160 HA ASP 23 HA ASP 23 12.985 3.719 -11.558 161 HB2 ASP 23 HB2 ASP 23 13.693 0.793 -11.872 162 HB3 ASP 23 HB3 ASP 23 12.271 1.604 -12.498 163 H THR 24 H THR 24 13.887 3.529 -8.828 164 HA THR 24 HA THR 24 12.529 1.404 -7.496 165 HB THR 24 HB THR 24 13.634 3.939 -6.284 166 HG1 THR 24 HG1 THR 24 14.888 1.601 -7.251 167 HG21 THR 24 HG21 THR 24 13.227 1.167 -5.148 168 HG22 THR 24 HG22 THR 24 12.261 2.593 -4.769 169 HG23 THR 24 HG23 THR 24 13.959 2.529 -4.300 170 H TRP 25 H TRP 25 11.872 4.829 -8.090 171 HA TRP 25 HA TRP 25 9.414 4.668 -6.520 172 HB2 TRP 25 HB2 TRP 25 10.891 6.975 -7.781 173 HB3 TRP 25 HB3 TRP 25 9.297 7.147 -7.053 174 HD1 TRP 25 HD1 TRP 25 12.918 7.137 -6.183 175 HE1 TRP 25 HE1 TRP 25 13.217 7.256 -3.629 176 HE3 TRP 25 HE3 TRP 25 8.096 6.216 -4.774 177 HZ2 TRP 25 HZ2 TRP 25 11.601 6.995 -1.317 178 HZ3 TRP 25 HZ3 TRP 25 7.554 6.168 -2.378 179 HH2 TRP 25 HH2 TRP 25 9.267 6.545 -0.685 180 H ALA 26 H ALA 26 10.508 4.588 -9.753 181 HA ALA 26 HA ALA 26 8.140 5.468 -11.037 182 HB1 ALA 26 HB1 ALA 26 9.078 4.387 -13.035 183 HB2 ALA 26 HB2 ALA 26 10.325 3.643 -12.036 184 HB3 ALA 26 HB3 ALA 26 10.266 5.397 -12.211 185 H ILE 27 H ILE 27 6.385 4.339 -11.774 186 HA ILE 27 HA ILE 27 6.128 1.578 -10.815 187 HB ILE 27 HB ILE 27 3.953 3.476 -11.709 188 HG12 ILE 27 HG12 ILE 27 4.764 2.498 -8.961 189 HG13 ILE 27 HG13 ILE 27 4.912 4.143 -9.572 190 HG21 ILE 27 HG21 ILE 27 3.378 1.162 -12.198 191 HG22 ILE 27 HG22 ILE 27 2.400 1.768 -10.861 192 HG23 ILE 27 HG23 ILE 27 3.765 0.698 -10.541 193 HD11 ILE 27 HD11 ILE 27 3.024 3.902 -8.054 194 HD12 ILE 27 HD12 ILE 27 2.326 2.674 -9.112 195 HD13 ILE 27 HD13 ILE 27 2.496 4.335 -9.680 196 H THR 28 H THR 28 7.299 0.642 -12.437 197 HA THR 28 HA THR 28 6.722 0.998 -15.210 198 HB THR 28 HB THR 28 8.128 -1.401 -14.064 199 HG1 THR 28 HG1 THR 28 9.780 0.728 -14.529 200 HG21 THR 28 HG21 THR 28 9.575 -1.087 -16.034 201 HG22 THR 28 HG22 THR 28 8.630 0.329 -16.495 202 HG23 THR 28 HG23 THR 28 7.882 -1.268 -16.494 203 H VAL 29 H VAL 29 6.286 -1.183 -16.502 204 HA VAL 29 HA VAL 29 3.654 -1.956 -16.096 205 HB VAL 29 HB VAL 29 5.803 -3.551 -17.506 206 HG11 VAL 29 HG11 VAL 29 2.807 -3.585 -17.862 207 HG12 VAL 29 HG12 VAL 29 3.763 -4.843 -17.077 208 HG13 VAL 29 HG13 VAL 29 3.976 -4.516 -18.798 209 HG21 VAL 29 HG21 VAL 29 5.662 -1.253 -18.331 210 HG22 VAL 29 HG22 VAL 29 3.929 -1.450 -18.589 211 HG23 VAL 29 HG23 VAL 29 5.077 -2.404 -19.530 212 H GLU 30 H GLU 30 6.625 -3.451 -14.936 213 HA GLU 30 HA GLU 30 5.523 -5.837 -13.948 214 HB2 GLU 30 HB2 GLU 30 7.926 -4.308 -12.934 215 HB3 GLU 30 HB3 GLU 30 7.596 -6.016 -12.707 216 HG2 GLU 30 HG2 GLU 30 7.867 -6.445 -15.047 217 HG3 GLU 30 HG3 GLU 30 8.025 -4.720 -15.379 218 H GLU 31 H GLU 31 6.062 -2.679 -12.449 219 HA GLU 31 HA GLU 31 5.067 -3.448 -9.886 220 HB2 GLU 31 HB2 GLU 31 5.592 -0.742 -11.124 221 HB3 GLU 31 HB3 GLU 31 5.047 -0.962 -9.472 222 HG2 GLU 31 HG2 GLU 31 7.579 -2.142 -10.581 223 HG3 GLU 31 HG3 GLU 31 7.491 -0.622 -9.692 224 H ARG 32 H ARG 32 3.687 -2.069 -12.791 225 HA ARG 32 HA ARG 32 1.138 -1.481 -11.705 226 HB2 ARG 32 HB2 ARG 32 1.882 -0.589 -13.862 227 HB3 ARG 32 HB3 ARG 32 1.912 -2.210 -14.535 228 HG2 ARG 32 HG2 ARG 32 -0.453 -2.402 -14.396 229 HG3 ARG 32 HG3 ARG 32 -0.575 -0.912 -13.458 230 HD2 ARG 32 HD2 ARG 32 0.479 -1.057 -16.278 231 HD3 ARG 32 HD3 ARG 32 -1.193 -0.675 -15.864 232 HE ARG 32 HE ARG 32 -0.202 1.254 -14.578 233 HH11 ARG 32 HH11 ARG 32 1.388 -0.121 -17.394 234 HH12 ARG 32 HH12 ARG 32 2.206 1.362 -17.800 235 HH21 ARG 32 HH21 ARG 32 0.860 3.185 -15.113 236 HH22 ARG 32 HH22 ARG 32 1.885 3.257 -16.514 237 H ALA 33 H ALA 33 2.323 -4.297 -13.537 238 HA ALA 33 HA ALA 33 0.008 -5.874 -13.244 239 HB1 ALA 33 HB1 ALA 33 2.858 -6.793 -13.586 240 HB2 ALA 33 HB2 ALA 33 1.759 -6.347 -14.890 241 HB3 ALA 33 HB3 ALA 33 1.412 -7.755 -13.886 242 H LYS 34 H LYS 34 2.482 -5.054 -11.059 243 HA LYS 34 HA LYS 34 2.616 -7.193 -9.298 244 HB2 LYS 34 HB2 LYS 34 3.783 -4.809 -9.415 245 HB3 LYS 34 HB3 LYS 34 2.550 -4.409 -8.232 246 HG2 LYS 34 HG2 LYS 34 4.400 -4.985 -6.963 247 HG3 LYS 34 HG3 LYS 34 3.406 -6.444 -6.939 248 HD2 LYS 34 HD2 LYS 34 4.796 -7.559 -8.437 249 HD3 LYS 34 HD3 LYS 34 5.535 -6.062 -9.008 250 HE2 LYS 34 HE2 LYS 34 5.911 -7.337 -6.303 251 HE3 LYS 34 HE3 LYS 34 7.099 -7.268 -7.606 252 HZ1 LYS 34 HZ1 LYS 34 7.638 -5.557 -6.078 253 HZ2 LYS 34 HZ2 LYS 34 6.041 -5.007 -6.005 254 HZ3 LYS 34 HZ3 LYS 34 6.942 -4.781 -7.423 255 H HIS 35 H HIS 35 0.246 -4.598 -9.554 256 HA HIS 35 HA HIS 35 -0.940 -4.860 -7.044 257 HB2 HIS 35 HB2 HIS 35 -2.817 -3.597 -7.895 258 HB3 HIS 35 HB3 HIS 35 -1.317 -2.920 -8.482 259 HD1 HIS 35 HD1 HIS 35 -2.130 -1.778 -10.548 260 HD2 HIS 35 HD2 HIS 35 -3.361 -5.753 -10.361 261 HE1 HIS 35 HE1 HIS 35 -3.227 -2.261 -12.756 262 HE2 HIS 35 HE2 HIS 35 -3.982 -4.657 -12.624 263 H ASP 36 H ASP 36 -1.339 -6.768 -9.874 264 HA ASP 36 HA ASP 36 -3.858 -7.897 -9.311 265 HB2 ASP 36 HB2 ASP 36 -2.773 -8.098 -11.511 266 HB3 ASP 36 HB3 ASP 36 -1.531 -9.128 -10.808 267 H GLN 37 H GLN 37 -0.597 -9.194 -8.716 268 HA GLN 37 HA GLN 37 -1.514 -11.415 -7.205 269 HB2 GLN 37 HB2 GLN 37 0.655 -11.394 -8.363 270 HB3 GLN 37 HB3 GLN 37 1.221 -10.111 -7.309 271 HG2 GLN 37 HG2 GLN 37 0.351 -12.744 -6.182 272 HG3 GLN 37 HG3 GLN 37 1.961 -12.537 -6.863 273 HE21 GLN 37 HE21 GLN 37 1.186 -13.126 -4.122 274 HE22 GLN 37 HE22 GLN 37 1.835 -11.849 -3.150 275 H GLN 38 H GLN 38 -0.277 -8.223 -6.338 276 HA GLN 38 HA GLN 38 -0.081 -8.578 -3.577 277 HB2 GLN 38 HB2 GLN 38 -0.726 -6.076 -5.147 278 HB3 GLN 38 HB3 GLN 38 -0.288 -6.096 -3.445 279 HG2 GLN 38 HG2 GLN 38 1.476 -7.136 -5.651 280 HG3 GLN 38 HG3 GLN 38 1.570 -5.503 -4.992 281 HE21 GLN 38 HE21 GLN 38 3.533 -7.689 -5.016 282 HE22 GLN 38 HE22 GLN 38 3.972 -7.935 -3.359 283 H PHE 39 H PHE 39 -2.783 -7.253 -5.467 284 HA PHE 39 HA PHE 39 -4.510 -6.871 -3.274 285 HB2 PHE 39 HB2 PHE 39 -4.953 -5.720 -5.325 286 HB3 PHE 39 HB3 PHE 39 -5.056 -7.226 -6.224 287 HD1 PHE 39 HD1 PHE 39 -6.646 -5.872 -3.125 288 HD2 PHE 39 HD2 PHE 39 -7.166 -7.693 -6.934 289 HE1 PHE 39 HE1 PHE 39 -9.078 -5.928 -2.760 290 HE2 PHE 39 HE2 PHE 39 -9.600 -7.747 -6.581 291 HZ PHE 39 HZ PHE 39 -10.556 -6.865 -4.488 292 H HIS 40 H HIS 40 -3.928 -9.617 -5.378 293 HA HIS 40 HA HIS 40 -6.148 -11.131 -4.427 294 HB2 HIS 40 HB2 HIS 40 -3.686 -11.847 -6.002 295 HB3 HIS 40 HB3 HIS 40 -4.824 -13.080 -5.476 296 HD1 HIS 40 HD1 HIS 40 -4.255 -12.228 -8.496 297 HD2 HIS 40 HD2 HIS 40 -7.498 -11.060 -6.166 298 HE1 HIS 40 HE1 HIS 40 -6.078 -11.607 -10.120 299 HE2 HIS 40 HE2 HIS 40 -7.982 -10.778 -8.689 300 H SER 41 H SER 41 -2.805 -10.796 -3.434 301 HA SER 41 HA SER 41 -2.944 -12.891 -1.476 302 HB2 SER 41 HB2 SER 41 -0.806 -12.152 -2.518 303 HB3 SER 41 HB3 SER 41 -0.970 -10.602 -1.694 304 HG SER 41 HG SER 41 -1.221 -12.307 0.212 305 H LEU 42 H LEU 42 -3.918 -9.618 -1.636 306 HA LEU 42 HA LEU 42 -3.911 -8.989 1.141 307 HB2 LEU 42 HB2 LEU 42 -3.960 -7.253 -0.552 308 HB3 LEU 42 HB3 LEU 42 -5.469 -7.867 -1.193 309 HG LEU 42 HG LEU 42 -6.587 -7.232 0.939 310 HD11 LEU 42 HD11 LEU 42 -5.447 -5.737 2.480 311 HD12 LEU 42 HD12 LEU 42 -3.953 -5.898 1.554 312 HD13 LEU 42 HD13 LEU 42 -4.623 -7.294 2.400 313 HD21 LEU 42 HD21 LEU 42 -6.663 -5.764 -1.004 314 HD22 LEU 42 HD22 LEU 42 -5.150 -5.008 -0.507 315 HD23 LEU 42 HD23 LEU 42 -6.595 -4.828 0.489 316 H LYS 43 H LYS 43 -5.682 -11.142 -0.644 317 HA LYS 43 HA LYS 43 -7.550 -12.345 -0.425 318 HB2 LYS 43 HB2 LYS 43 -6.455 -12.908 1.704 319 HB3 LYS 43 HB3 LYS 43 -7.304 -11.577 2.480 320 HG2 LYS 43 HG2 LYS 43 -9.442 -12.652 1.955 321 HG3 LYS 43 HG3 LYS 43 -8.565 -14.004 1.229 322 HD2 LYS 43 HD2 LYS 43 -7.529 -14.526 3.320 323 HD3 LYS 43 HD3 LYS 43 -8.215 -13.082 4.063 324 HE2 LYS 43 HE2 LYS 43 -10.465 -13.987 3.747 325 HE3 LYS 43 HE3 LYS 43 -9.787 -15.419 2.974 326 HZ1 LYS 43 HZ1 LYS 43 -9.426 -14.580 5.797 327 HZ2 LYS 43 HZ2 LYS 43 -8.608 -15.882 5.080 328 HZ3 LYS 43 HZ3 LYS 43 -10.298 -15.923 5.237 329 HA PRO 44 HA PRO 44 -10.505 -8.824 -0.515 330 HB2 PRO 44 HB2 PRO 44 -11.519 -9.496 -2.949 331 HB3 PRO 44 HB3 PRO 44 -10.132 -8.421 -2.747 332 HG2 PRO 44 HG2 PRO 44 -10.197 -11.316 -3.467 333 HG3 PRO 44 HG3 PRO 44 -9.161 -10.026 -4.099 334 HD2 PRO 44 HD2 PRO 44 -8.329 -11.836 -2.235 335 HD3 PRO 44 HD3 PRO 44 -7.685 -10.185 -2.347 336 H ILE 45 H ILE 45 -12.713 -9.009 -0.152 337 HA ILE 45 HA ILE 45 -13.592 -11.533 0.831 338 HB ILE 45 HB ILE 45 -15.218 -9.029 0.353 339 HG12 ILE 45 HG12 ILE 45 -13.812 -10.025 2.842 340 HG13 ILE 45 HG13 ILE 45 -13.301 -8.657 1.858 341 HG21 ILE 45 HG21 ILE 45 -15.783 -11.448 2.070 342 HG22 ILE 45 HG22 ILE 45 -16.623 -11.003 0.584 343 HG23 ILE 45 HG23 ILE 45 -16.759 -9.981 2.015 344 HD11 ILE 45 HD11 ILE 45 -15.895 -8.838 3.375 345 HD12 ILE 45 HD12 ILE 45 -15.316 -7.452 2.449 346 HD13 ILE 45 HD13 ILE 45 -14.454 -7.967 3.899 347 H SER 46 H SER 46 -14.402 -9.605 -2.013 348 HA SER 46 HA SER 46 -15.088 -12.006 -3.461 349 HB2 SER 46 HB2 SER 46 -17.220 -11.327 -2.311 350 HB3 SER 46 HB3 SER 46 -17.139 -9.791 -3.173 351 HG SER 46 HG SER 46 -17.001 -11.263 -5.125 352 H GLY 47 H GLY 47 -13.245 -9.580 -3.379 353 HA2 GLY 47 HA2 GLY 47 -12.267 -8.810 -5.552 354 HA3 GLY 47 HA3 GLY 47 -13.918 -8.386 -5.995 355 H PHE 48 H PHE 48 -14.227 -7.643 -3.028 356 HA PHE 48 HA PHE 48 -12.846 -5.054 -3.165 357 HB2 PHE 48 HB2 PHE 48 -14.667 -4.036 -1.991 358 HB3 PHE 48 HB3 PHE 48 -15.359 -4.962 -3.316 359 HD1 PHE 48 HD2 PHE 48 -16.374 -7.230 -2.794 360 HD2 PHE 48 HD1 PHE 48 -15.323 -4.413 0.219 361 HE1 PHE 48 HE2 PHE 48 -17.850 -8.386 -1.204 362 HE2 PHE 48 HE1 PHE 48 -16.800 -5.566 1.814 363 HZ PHE 48 HZ PHE 48 -18.065 -7.556 1.103 364 H ILE 49 H ILE 49 -12.276 -4.122 -1.070 365 HA ILE 49 HA ILE 49 -11.852 -6.106 1.045 366 HB ILE 49 HB ILE 49 -9.591 -4.971 1.449 367 HG12 ILE 49 HG12 ILE 49 -8.523 -4.183 -0.740 368 HG13 ILE 49 HG13 ILE 49 -10.158 -4.028 -1.367 369 HG21 ILE 49 HG21 ILE 49 -9.989 -6.696 -0.989 370 HG22 ILE 49 HG22 ILE 49 -9.802 -7.250 0.675 371 HG23 ILE 49 HG23 ILE 49 -8.458 -6.457 -0.147 372 HD11 ILE 49 HD11 ILE 49 -9.275 -1.894 -0.603 373 HD12 ILE 49 HD12 ILE 49 -9.040 -2.564 1.013 374 HD13 ILE 49 HD13 ILE 49 -10.668 -2.388 0.360 375 H THR 50 H THR 50 -10.703 -4.570 2.993 376 HA THR 50 HA THR 50 -12.003 -2.022 3.176 377 HB THR 50 HB THR 50 -13.891 -3.621 3.608 378 HG1 THR 50 HG1 THR 50 -14.655 -2.046 4.767 379 HG21 THR 50 HG21 THR 50 -13.976 -4.739 5.799 380 HG22 THR 50 HG22 THR 50 -12.310 -4.253 6.102 381 HG23 THR 50 HG23 THR 50 -12.674 -5.368 4.786 382 H GLY 51 H GLY 51 -11.856 -1.236 5.593 383 HA2 GLY 51 HA2 GLY 51 -9.100 -1.020 6.119 384 HA3 GLY 51 HA3 GLY 51 -10.388 -0.448 7.158 385 H ASP 52 H ASP 52 -11.622 -2.835 7.847 386 HA ASP 52 HA ASP 52 -10.055 -3.602 10.036 387 HB2 ASP 52 HB2 ASP 52 -12.520 -3.806 9.952 388 HB3 ASP 52 HB3 ASP 52 -12.356 -5.141 8.815 389 H GLN 53 H GLN 53 -10.562 -5.255 6.932 390 HA GLN 53 HA GLN 53 -8.975 -7.505 7.717 391 HB2 GLN 53 HB2 GLN 53 -9.215 -8.262 5.401 392 HB3 GLN 53 HB3 GLN 53 -10.762 -7.774 6.068 393 HG2 GLN 53 HG2 GLN 53 -10.873 -6.852 3.990 394 HG3 GLN 53 HG3 GLN 53 -10.202 -5.502 4.903 395 HE21 GLN 53 HE21 GLN 53 -8.444 -8.381 3.932 396 HE22 GLN 53 HE22 GLN 53 -7.382 -7.593 2.823 397 H ALA 54 H ALA 54 -8.386 -4.483 6.042 398 HA ALA 54 HA ALA 54 -5.810 -5.050 5.050 399 HB1 ALA 54 HB1 ALA 54 -6.953 -2.398 5.936 400 HB2 ALA 54 HB2 ALA 54 -7.099 -3.105 4.325 401 HB3 ALA 54 HB3 ALA 54 -5.516 -2.624 4.936 402 H ARG 55 H ARG 55 -6.964 -3.867 8.141 403 HA ARG 55 HA ARG 55 -4.621 -3.092 9.379 404 HB2 ARG 55 HB2 ARG 55 -6.925 -2.872 10.288 405 HB3 ARG 55 HB3 ARG 55 -6.923 -4.592 10.640 406 HG2 ARG 55 HG2 ARG 55 -4.994 -4.219 12.162 407 HG3 ARG 55 HG3 ARG 55 -5.181 -2.482 11.889 408 HD2 ARG 55 HD2 ARG 55 -7.578 -2.749 12.616 409 HD3 ARG 55 HD3 ARG 55 -7.162 -4.381 13.121 410 HE ARG 55 HE ARG 55 -5.350 -2.875 14.439 411 HH11 ARG 55 HH11 ARG 55 -8.830 -2.848 14.145 412 HH12 ARG 55 HH12 ARG 55 -9.099 -2.037 15.659 413 HH21 ARG 55 HH21 ARG 55 -5.684 -1.829 16.483 414 HH22 ARG 55 HH22 ARG 55 -7.305 -1.461 16.992 415 H ASN 56 H ASN 56 -5.983 -6.353 9.108 416 HA ASN 56 HA ASN 56 -3.990 -7.587 10.730 417 HB2 ASN 56 HB2 ASN 56 -6.205 -8.602 10.404 418 HB3 ASN 56 HB3 ASN 56 -5.859 -8.822 8.694 419 HD21 ASN 56 HD21 ASN 56 -5.109 -9.869 11.931 420 HD22 ASN 56 HD22 ASN 56 -4.337 -11.351 11.476 421 H PHE 57 H PHE 57 -4.521 -7.469 7.217 422 HA PHE 57 HA PHE 57 -2.292 -8.944 6.427 423 HB2 PHE 57 HB2 PHE 57 -4.113 -8.301 4.907 424 HB3 PHE 57 HB3 PHE 57 -3.584 -6.623 4.987 425 HD1 PHE 57 HD1 PHE 57 -1.564 -5.902 3.882 426 HD2 PHE 57 HD2 PHE 57 -2.883 -9.936 3.631 427 HE1 PHE 57 HE1 PHE 57 -0.021 -6.286 2.023 428 HE2 PHE 57 HE2 PHE 57 -1.336 -10.329 1.758 429 HZ PHE 57 HZ PHE 57 0.103 -8.500 0.949 430 H PHE 58 H PHE 58 -2.614 -5.435 6.844 431 HA PHE 58 HA PHE 58 0.010 -4.740 6.194 432 HB2 PHE 58 HB2 PHE 58 -2.133 -3.449 7.839 433 HB3 PHE 58 HB3 PHE 58 -0.515 -2.761 7.835 434 HD1 PHE 58 HD1 PHE 58 -2.607 -4.256 5.116 435 HD2 PHE 58 HD2 PHE 58 -0.531 -0.843 6.585 436 HE1 PHE 58 HE1 PHE 58 -3.126 -3.050 3.036 437 HE2 PHE 58 HE2 PHE 58 -1.050 0.366 4.507 438 HZ PHE 58 HZ PHE 58 -2.347 -0.736 2.731 439 H PHE 59 H PHE 59 -1.402 -5.588 9.339 440 HA PHE 59 HA PHE 59 0.939 -5.003 10.825 441 HB2 PHE 59 HB2 PHE 59 -1.359 -5.128 11.796 442 HB3 PHE 59 HB3 PHE 59 -1.305 -6.877 11.596 443 HD1 PHE 59 HD1 PHE 59 0.653 -4.109 13.132 444 HD2 PHE 59 HD2 PHE 59 -0.602 -8.168 13.368 445 HE1 PHE 59 HE1 PHE 59 1.734 -4.308 15.332 446 HE2 PHE 59 HE2 PHE 59 0.483 -8.376 15.569 447 HZ PHE 59 HZ PHE 59 1.648 -6.445 16.552 448 H GLN 60 H GLN 60 -0.180 -7.823 9.125 449 HA GLN 60 HA GLN 60 1.708 -9.610 10.348 450 HB2 GLN 60 HB2 GLN 60 -0.222 -9.885 8.064 451 HB3 GLN 60 HB3 GLN 60 0.910 -11.164 8.485 452 HG2 GLN 60 HG2 GLN 60 -1.179 -9.986 10.307 453 HG3 GLN 60 HG3 GLN 60 -1.278 -11.543 9.481 454 HE21 GLN 60 HE21 GLN 60 0.033 -13.239 10.163 455 HE22 GLN 60 HE22 GLN 60 0.819 -13.233 11.709 456 H SER 61 H SER 61 2.276 -7.157 8.299 457 HA SER 61 HA SER 61 4.132 -8.521 6.548 458 HB2 SER 61 HB2 SER 61 4.700 -6.304 5.720 459 HB3 SER 61 HB3 SER 61 2.948 -6.455 5.823 460 HG SER 61 HG SER 61 2.889 -5.059 7.444 461 H GLY 62 H GLY 62 4.165 -6.861 9.604 462 HA2 GLY 62 HA2 GLY 62 5.968 -7.428 11.151 463 HA3 GLY 62 HA3 GLY 62 7.070 -7.343 9.786 464 H LEU 63 H LEU 63 4.772 -4.916 9.598 465 HA LEU 63 HA LEU 63 6.674 -2.939 10.624 466 HB2 LEU 63 HB2 LEU 63 4.234 -2.653 8.870 467 HB3 LEU 63 HB3 LEU 63 5.218 -1.309 9.415 468 HG LEU 63 HG LEU 63 6.301 -3.568 7.738 469 HD11 LEU 63 HD11 LEU 63 6.112 -2.061 5.835 470 HD12 LEU 63 HD12 LEU 63 5.315 -0.860 6.850 471 HD13 LEU 63 HD13 LEU 63 4.524 -2.400 6.522 472 HD21 LEU 63 HD21 LEU 63 7.339 -0.797 8.311 473 HD22 LEU 63 HD22 LEU 63 8.119 -2.022 7.310 474 HD23 LEU 63 HD23 LEU 63 7.938 -2.285 9.045 475 HA PRO 64 HA PRO 64 4.097 -2.086 14.168 476 HB2 PRO 64 HB2 PRO 64 5.115 0.673 13.967 477 HB3 PRO 64 HB3 PRO 64 5.281 -0.491 15.285 478 HG2 PRO 64 HG2 PRO 64 7.363 0.155 13.734 479 HG3 PRO 64 HG3 PRO 64 7.138 -1.496 14.344 480 HD2 PRO 64 HD2 PRO 64 6.545 -0.382 11.625 481 HD3 PRO 64 HD3 PRO 64 7.285 -1.936 12.069 482 H GLN 65 H GLN 65 2.225 -0.922 14.725 483 HA GLN 65 HA GLN 65 0.474 -0.434 12.634 484 HB2 GLN 65 HB2 GLN 65 0.285 0.404 15.520 485 HB3 GLN 65 HB3 GLN 65 -1.032 0.564 14.364 486 HG2 GLN 65 HG2 GLN 65 -0.964 -1.859 13.985 487 HG3 GLN 65 HG3 GLN 65 0.307 -1.991 15.196 488 HE21 GLN 65 HE21 GLN 65 -2.358 0.228 15.503 489 HE22 GLN 65 HE22 GLN 65 -3.150 -0.594 16.807 490 HA PRO 66 HA PRO 66 1.056 4.410 13.432 491 HB2 PRO 66 HB2 PRO 66 3.961 4.283 14.076 492 HB3 PRO 66 HB3 PRO 66 2.724 5.396 14.671 493 HG2 PRO 66 HG2 PRO 66 3.652 3.435 16.215 494 HG3 PRO 66 HG3 PRO 66 1.939 3.893 16.246 495 HD2 PRO 66 HD2 PRO 66 3.252 1.536 14.975 496 HD3 PRO 66 HD3 PRO 66 1.670 1.654 15.769 497 H VAL 67 H VAL 67 3.655 2.288 12.343 498 HA VAL 67 HA VAL 67 4.443 3.931 10.140 499 HB VAL 67 HB VAL 67 4.987 1.000 10.668 500 HG11 VAL 67 HG11 VAL 67 6.390 2.928 8.823 501 HG12 VAL 67 HG12 VAL 67 5.342 1.597 8.329 502 HG13 VAL 67 HG13 VAL 67 6.871 1.262 9.142 503 HG21 VAL 67 HG21 VAL 67 6.624 3.449 11.322 504 HG22 VAL 67 HG22 VAL 67 7.156 1.779 11.527 505 HG23 VAL 67 HG23 VAL 67 5.804 2.399 12.478 506 H LEU 68 H LEU 68 2.356 1.139 10.593 507 HA LEU 68 HA LEU 68 1.694 0.648 7.898 508 HB2 LEU 68 HB2 LEU 68 0.098 0.199 10.418 509 HB3 LEU 68 HB3 LEU 68 -0.303 -0.471 8.851 510 HG LEU 68 HG LEU 68 2.229 -1.070 10.375 511 HD11 LEU 68 HD11 LEU 68 -0.276 -2.713 10.024 512 HD12 LEU 68 HD12 LEU 68 0.271 -1.960 11.522 513 HD13 LEU 68 HD13 LEU 68 1.216 -3.256 10.791 514 HD21 LEU 68 HD21 LEU 68 1.056 -2.292 7.880 515 HD22 LEU 68 HD22 LEU 68 2.505 -2.846 8.718 516 HD23 LEU 68 HD23 LEU 68 2.480 -1.255 7.958 517 H ALA 69 H ALA 69 0.139 2.586 10.397 518 HA ALA 69 HA ALA 69 -2.106 3.443 9.009 519 HB1 ALA 69 HB1 ALA 69 -0.531 4.968 11.081 520 HB2 ALA 69 HB2 ALA 69 -1.779 3.768 11.411 521 HB3 ALA 69 HB3 ALA 69 -2.203 5.281 10.610 522 H GLN 70 H GLN 70 1.196 4.606 8.893 523 HA GLN 70 HA GLN 70 0.708 7.007 7.508 524 HB2 GLN 70 HB2 GLN 70 3.034 5.300 8.149 525 HB3 GLN 70 HB3 GLN 70 3.216 6.370 6.775 526 HG2 GLN 70 HG2 GLN 70 2.434 7.213 9.549 527 HG3 GLN 70 HG3 GLN 70 4.043 7.369 8.847 528 HE21 GLN 70 HE21 GLN 70 0.791 8.585 8.890 529 HE22 GLN 70 HE22 GLN 70 1.108 10.028 7.989 530 H ILE 71 H ILE 71 1.313 3.691 6.451 531 HA ILE 71 HA ILE 71 1.558 4.279 3.676 532 HB ILE 71 HB ILE 71 0.736 1.700 5.035 533 HG12 ILE 71 HG12 ILE 71 3.408 2.453 3.843 534 HG13 ILE 71 HG13 ILE 71 3.029 2.622 5.552 535 HG21 ILE 71 HG21 ILE 71 -0.016 1.709 2.734 536 HG22 ILE 71 HG22 ILE 71 1.359 0.618 2.907 537 HG23 ILE 71 HG23 ILE 71 1.583 2.212 2.185 538 HD11 ILE 71 HD11 ILE 71 2.997 0.042 4.004 539 HD12 ILE 71 HD12 ILE 71 2.682 0.226 5.730 540 HD13 ILE 71 HD13 ILE 71 4.283 0.585 5.082 541 H TRP 72 H TRP 72 -1.130 3.284 5.740 542 HA TRP 72 HA TRP 72 -3.042 3.124 3.658 543 HB2 TRP 72 HB2 TRP 72 -3.452 2.003 5.741 544 HB3 TRP 72 HB3 TRP 72 -3.345 3.515 6.635 545 HD1 TRP 72 HD1 TRP 72 -5.432 3.230 3.418 546 HE1 TRP 72 HE1 TRP 72 -7.901 3.574 4.033 547 HE3 TRP 72 HE3 TRP 72 -4.975 3.330 8.481 548 HZ2 TRP 72 HZ2 TRP 72 -9.463 3.781 6.384 549 HZ3 TRP 72 HZ3 TRP 72 -7.004 3.575 9.857 550 HH2 TRP 72 HH2 TRP 72 -9.200 3.804 8.822 551 H ALA 73 H ALA 73 -2.205 5.694 5.959 552 HA ALA 73 HA ALA 73 -4.187 7.507 5.165 553 HB1 ALA 73 HB1 ALA 73 -1.461 8.109 6.311 554 HB2 ALA 73 HB2 ALA 73 -2.918 7.756 7.241 555 HB3 ALA 73 HB3 ALA 73 -2.830 9.220 6.261 556 H LEU 74 H LEU 74 -1.251 6.527 3.694 557 HA LEU 74 HA LEU 74 -1.103 8.774 1.861 558 HB2 LEU 74 HB2 LEU 74 0.579 6.406 2.499 559 HB3 LEU 74 HB3 LEU 74 0.730 7.119 0.909 560 HG LEU 74 HG LEU 74 1.161 8.571 3.521 561 HD11 LEU 74 HD11 LEU 74 3.513 8.603 2.828 562 HD12 LEU 74 HD12 LEU 74 3.107 7.585 1.446 563 HD13 LEU 74 HD13 LEU 74 2.918 6.963 3.085 564 HD21 LEU 74 HD21 LEU 74 1.529 9.451 0.664 565 HD22 LEU 74 HD22 LEU 74 2.003 10.371 2.092 566 HD23 LEU 74 HD23 LEU 74 0.299 10.033 1.785 567 H ALA 75 H ALA 75 -2.306 5.536 1.970 568 HA ALA 75 HA ALA 75 -2.183 4.904 -0.761 569 HB1 ALA 75 HB1 ALA 75 -2.505 3.198 0.939 570 HB2 ALA 75 HB2 ALA 75 -3.819 3.141 -0.236 571 HB3 ALA 75 HB3 ALA 75 -4.081 3.873 1.347 572 H ASP 76 H ASP 76 -5.208 5.644 1.058 573 HA ASP 76 HA ASP 76 -6.283 6.748 -1.374 574 HB2 ASP 76 HB2 ASP 76 -8.258 7.345 0.138 575 HB3 ASP 76 HB3 ASP 76 -7.980 5.653 -0.205 576 H MET 77 H MET 77 -5.221 8.452 -1.933 577 HA MET 77 HA MET 77 -4.004 10.335 -0.284 578 HB2 MET 77 HB2 MET 77 -4.905 10.479 -3.154 579 HB3 MET 77 HB3 MET 77 -3.987 11.763 -2.378 580 HG2 MET 77 HG2 MET 77 -2.119 10.320 -2.035 581 HG3 MET 77 HG3 MET 77 -3.043 8.913 -2.559 582 HE1 MET 77 HE1 MET 77 -3.512 8.262 -5.011 583 HE2 MET 77 HE2 MET 77 -3.376 9.381 -6.368 584 HE3 MET 77 HE3 MET 77 -4.551 9.687 -5.090 585 H ASN 78 H ASN 78 -7.276 10.229 -1.549 586 HA ASN 78 HA ASN 78 -7.945 12.896 -0.697 587 HB2 ASN 78 HB2 ASN 78 -9.166 11.738 -2.518 588 HB3 ASN 78 HB3 ASN 78 -9.747 10.551 -1.363 589 HD21 ASN 78 HD21 ASN 78 -11.441 11.028 -0.061 590 HD22 ASN 78 HD22 ASN 78 -12.342 12.503 -0.155 591 H ASN 79 H ASN 79 -7.378 10.009 0.829 592 HA ASN 79 HA ASN 79 -7.756 9.066 2.834 593 HB2 ASN 79 HB2 ASN 79 -6.528 11.183 3.466 594 HB3 ASN 79 HB3 ASN 79 -8.096 11.878 3.879 595 HD21 ASN 79 HD21 ASN 79 -7.176 8.518 4.319 596 HD22 ASN 79 HD22 ASN 79 -7.212 8.543 6.050 597 H ASP 80 H ASP 80 -9.788 8.354 1.832 598 HA ASP 80 HA ASP 80 -12.187 9.447 3.056 599 HB2 ASP 80 HB2 ASP 80 -11.744 7.114 1.186 600 HB3 ASP 80 HB3 ASP 80 -13.311 7.492 1.896 601 H GLY 81 H GLY 81 -9.753 7.197 3.714 602 HA2 GLY 81 HA2 GLY 81 -9.409 5.956 5.633 603 HA3 GLY 81 HA3 GLY 81 -10.960 6.529 6.230 604 H ARG 82 H ARG 82 -10.482 4.871 3.185 605 HA ARG 82 HA ARG 82 -11.626 2.421 4.311 606 HB2 ARG 82 HB2 ARG 82 -12.857 4.178 2.274 607 HB3 ARG 82 HB3 ARG 82 -12.919 2.452 1.951 608 HG2 ARG 82 HG2 ARG 82 -14.003 2.119 4.143 609 HG3 ARG 82 HG3 ARG 82 -14.005 3.872 4.368 610 HD2 ARG 82 HD2 ARG 82 -15.427 4.194 2.492 611 HD3 ARG 82 HD3 ARG 82 -15.257 2.513 1.994 612 HE ARG 82 HE ARG 82 -16.565 3.204 4.544 613 HH11 ARG 82 HH11 ARG 82 -16.604 1.722 1.369 614 HH12 ARG 82 HH12 ARG 82 -18.127 0.913 1.609 615 HH21 ARG 82 HH21 ARG 82 -18.614 2.172 4.861 616 HH22 ARG 82 HH22 ARG 82 -19.276 1.178 3.588 617 H MET 83 H MET 83 -9.567 3.984 2.105 618 HA MET 83 HA MET 83 -8.487 3.461 0.192 619 HB2 MET 83 HB2 MET 83 -6.975 1.603 0.294 620 HB3 MET 83 HB3 MET 83 -7.067 2.334 1.882 621 HG2 MET 83 HG2 MET 83 -8.283 0.530 2.759 622 HG3 MET 83 HG3 MET 83 -8.680 -0.086 1.156 623 HE1 MET 83 HE1 MET 83 -5.824 0.401 3.823 624 HE2 MET 83 HE2 MET 83 -5.180 1.228 2.404 625 HE3 MET 83 HE3 MET 83 -4.431 -0.265 2.969 626 H ASP 84 H ASP 84 -8.005 1.059 -1.120 627 HA ASP 84 HA ASP 84 -10.264 -0.490 -1.710 628 HB2 ASP 84 HB2 ASP 84 -11.062 1.751 -2.593 629 HB3 ASP 84 HB3 ASP 84 -9.746 1.689 -3.756 630 H GLN 85 H GLN 85 -9.814 -1.417 -4.150 631 HA GLN 85 HA GLN 85 -7.149 -2.474 -3.985 632 HB2 GLN 85 HB2 GLN 85 -7.755 -3.596 -6.170 633 HB3 GLN 85 HB3 GLN 85 -8.783 -3.991 -4.800 634 HG2 GLN 85 HG2 GLN 85 -9.672 -1.743 -6.479 635 HG3 GLN 85 HG3 GLN 85 -9.698 -3.335 -7.233 636 HE21 GLN 85 HE21 GLN 85 -10.148 -3.087 -3.804 637 HE22 GLN 85 HE22 GLN 85 -11.851 -3.388 -3.800 638 H VAL 86 H VAL 86 -8.718 0.113 -5.655 639 HA VAL 86 HA VAL 86 -6.691 0.592 -7.590 640 HB VAL 86 HB VAL 86 -8.612 2.576 -6.349 641 HG11 VAL 86 HG11 VAL 86 -8.227 3.897 -8.366 642 HG12 VAL 86 HG12 VAL 86 -7.055 2.705 -8.928 643 HG13 VAL 86 HG13 VAL 86 -6.727 3.645 -7.472 644 HG21 VAL 86 HG21 VAL 86 -8.878 0.893 -8.841 645 HG22 VAL 86 HG22 VAL 86 -9.987 2.175 -8.355 646 HG23 VAL 86 HG23 VAL 86 -9.820 0.730 -7.357 647 H GLU 87 H GLU 87 -7.394 2.128 -4.445 648 HA GLU 87 HA GLU 87 -5.004 3.633 -4.378 649 HB2 GLU 87 HB2 GLU 87 -6.973 2.839 -2.243 650 HB3 GLU 87 HB3 GLU 87 -5.541 3.788 -1.877 651 HG2 GLU 87 HG2 GLU 87 -7.453 5.229 -2.140 652 HG3 GLU 87 HG3 GLU 87 -6.291 5.518 -3.432 653 H PHE 88 H PHE 88 -5.833 0.419 -3.199 654 HA PHE 88 HA PHE 88 -3.499 -0.039 -1.704 655 HB2 PHE 88 HB2 PHE 88 -5.485 -1.492 -1.565 656 HB3 PHE 88 HB3 PHE 88 -5.186 -2.058 -3.204 657 HD1 PHE 88 HD2 PHE 88 -3.615 -1.884 0.159 658 HD2 PHE 88 HD1 PHE 88 -3.878 -3.939 -3.557 659 HE1 PHE 88 HE2 PHE 88 -2.177 -3.671 1.047 660 HE2 PHE 88 HE1 PHE 88 -2.434 -5.726 -2.678 661 HZ PHE 88 HZ PHE 88 -1.585 -5.593 -0.372 662 H SER 89 H SER 89 -4.067 -0.057 -5.142 663 HA SER 89 HA SER 89 -1.971 -1.759 -5.908 664 HB2 SER 89 HB2 SER 89 -2.265 -0.952 -8.128 665 HB3 SER 89 HB3 SER 89 -3.863 -0.934 -7.384 666 HG SER 89 HG SER 89 -3.834 1.232 -7.304 667 H ILE 90 H ILE 90 -2.008 1.568 -4.911 668 HA ILE 90 HA ILE 90 0.789 1.904 -5.702 669 HB ILE 90 HB ILE 90 -0.855 3.728 -6.197 670 HG12 ILE 90 HG12 ILE 90 1.371 4.495 -4.296 671 HG13 ILE 90 HG13 ILE 90 1.563 4.181 -6.019 672 HG21 ILE 90 HG21 ILE 90 -0.860 4.118 -3.209 673 HG22 ILE 90 HG22 ILE 90 -2.212 3.533 -4.177 674 HG23 ILE 90 HG23 ILE 90 -1.615 5.177 -4.401 675 HD11 ILE 90 HD11 ILE 90 -0.082 6.397 -4.808 676 HD12 ILE 90 HD12 ILE 90 0.139 6.091 -6.531 677 HD13 ILE 90 HD13 ILE 90 1.515 6.568 -5.537 678 H ALA 91 H ALA 91 -1.201 1.272 -2.970 679 HA ALA 91 HA ALA 91 0.633 2.174 -0.956 680 HB1 ALA 91 HB1 ALA 91 -1.773 0.367 -0.717 681 HB2 ALA 91 HB2 ALA 91 -1.781 2.123 -0.559 682 HB3 ALA 91 HB3 ALA 91 -0.913 1.138 0.618 683 H MET 92 H MET 92 -0.055 -0.873 -2.565 684 HA MET 92 HA MET 92 1.243 -2.593 -0.774 685 HB2 MET 92 HB2 MET 92 1.345 -4.191 -2.640 686 HB3 MET 92 HB3 MET 92 -0.237 -3.442 -2.502 687 HG2 MET 92 HG2 MET 92 0.136 -3.448 -4.775 688 HG3 MET 92 HG3 MET 92 0.621 -1.819 -4.310 689 HE1 MET 92 HE1 MET 92 1.429 -2.989 -7.090 690 HE2 MET 92 HE2 MET 92 3.141 -2.575 -7.180 691 HE3 MET 92 HE3 MET 92 1.991 -1.416 -6.519 692 H LYS 93 H LYS 93 2.483 -0.479 -3.218 693 HA LYS 93 HA LYS 93 5.081 -1.623 -3.399 694 HB2 LYS 93 HB2 LYS 93 4.018 -0.125 -5.113 695 HB3 LYS 93 HB3 LYS 93 4.229 1.218 -3.999 696 HG2 LYS 93 HG2 LYS 93 6.664 0.866 -4.072 697 HG3 LYS 93 HG3 LYS 93 6.424 -0.429 -5.249 698 HD2 LYS 93 HD2 LYS 93 5.450 1.130 -6.824 699 HD3 LYS 93 HD3 LYS 93 5.534 2.430 -5.635 700 HE2 LYS 93 HE2 LYS 93 7.369 2.796 -7.038 701 HE3 LYS 93 HE3 LYS 93 8.045 2.026 -5.605 702 HZ1 LYS 93 HZ1 LYS 93 9.044 0.944 -7.380 703 HZ2 LYS 93 HZ2 LYS 93 7.623 0.872 -8.288 704 HZ3 LYS 93 HZ3 LYS 93 7.807 -0.133 -6.938 705 H LEU 94 H LEU 94 3.512 0.667 -1.285 706 HA LEU 94 HA LEU 94 5.926 1.651 -0.101 707 HB2 LEU 94 HB2 LEU 94 3.176 2.327 -0.002 708 HB3 LEU 94 HB3 LEU 94 3.689 1.983 1.638 709 HG LEU 94 HG LEU 94 5.600 3.572 1.269 710 HD11 LEU 94 HD11 LEU 94 5.607 3.603 -1.156 711 HD12 LEU 94 HD12 LEU 94 5.332 5.228 -0.530 712 HD13 LEU 94 HD13 LEU 94 3.984 4.290 -1.173 713 HD21 LEU 94 HD21 LEU 94 2.804 4.681 1.083 714 HD22 LEU 94 HD22 LEU 94 4.224 5.552 1.660 715 HD23 LEU 94 HD23 LEU 94 3.613 4.162 2.561 716 H ILE 95 H ILE 95 3.788 -1.030 0.449 717 HA ILE 95 HA ILE 95 4.467 -1.588 3.120 718 HB ILE 95 HB ILE 95 3.830 -3.642 0.986 719 HG12 ILE 95 HG12 ILE 95 2.112 -1.850 1.097 720 HG13 ILE 95 HG13 ILE 95 1.497 -3.423 1.590 721 HG21 ILE 95 HG21 ILE 95 2.986 -4.983 2.868 722 HG22 ILE 95 HG22 ILE 95 3.517 -3.728 3.986 723 HG23 ILE 95 HG23 ILE 95 4.704 -4.619 3.032 724 HD11 ILE 95 HD11 ILE 95 1.692 -2.768 3.926 725 HD12 ILE 95 HD12 ILE 95 0.663 -1.657 3.019 726 HD13 ILE 95 HD13 ILE 95 2.314 -1.194 3.431 727 H LYS 96 H LYS 96 5.777 -2.879 0.074 728 HA LYS 96 HA LYS 96 7.944 -4.261 1.220 729 HB2 LYS 96 HB2 LYS 96 7.056 -3.481 -1.464 730 HB3 LYS 96 HB3 LYS 96 8.798 -3.593 -1.298 731 HG2 LYS 96 HG2 LYS 96 6.823 -5.769 -0.648 732 HG3 LYS 96 HG3 LYS 96 7.848 -5.687 -2.084 733 HD2 LYS 96 HD2 LYS 96 9.834 -5.669 -0.552 734 HD3 LYS 96 HD3 LYS 96 8.730 -5.993 0.784 735 HE2 LYS 96 HE2 LYS 96 7.994 -8.049 -0.383 736 HE3 LYS 96 HE3 LYS 96 9.198 -7.734 -1.632 737 HZ1 LYS 96 HZ1 LYS 96 9.671 -8.351 1.227 738 HZ2 LYS 96 HZ2 LYS 96 10.886 -7.768 0.198 739 HZ3 LYS 96 HZ3 LYS 96 10.149 -9.262 -0.123 740 H LEU 97 H LEU 97 7.555 -0.976 0.062 741 HA LEU 97 HA LEU 97 10.219 -0.140 0.072 742 HB2 LEU 97 HB2 LEU 97 8.276 1.091 -0.874 743 HB3 LEU 97 HB3 LEU 97 7.765 1.479 0.756 744 HG LEU 97 HG LEU 97 10.032 2.619 1.028 745 HD11 LEU 97 HD11 LEU 97 11.094 3.383 -1.032 746 HD12 LEU 97 HD12 LEU 97 9.974 2.399 -1.975 747 HD13 LEU 97 HD13 LEU 97 11.134 1.625 -0.896 748 HD21 LEU 97 HD21 LEU 97 7.943 3.841 0.831 749 HD22 LEU 97 HD22 LEU 97 8.026 3.727 -0.927 750 HD23 LEU 97 HD23 LEU 97 9.233 4.665 -0.049 751 H LYS 98 H LYS 98 7.779 -0.020 2.654 752 HA LYS 98 HA LYS 98 9.549 1.208 4.530 753 HB2 LYS 98 HB2 LYS 98 6.855 -0.079 4.829 754 HB3 LYS 98 HB3 LYS 98 7.746 0.612 6.184 755 HG2 LYS 98 HG2 LYS 98 7.906 2.720 4.735 756 HG3 LYS 98 HG3 LYS 98 6.611 1.989 3.784 757 HD2 LYS 98 HD2 LYS 98 5.188 1.896 5.713 758 HD3 LYS 98 HD3 LYS 98 6.497 2.455 6.756 759 HE2 LYS 98 HE2 LYS 98 5.169 4.004 4.541 760 HE3 LYS 98 HE3 LYS 98 4.999 4.264 6.269 761 HZ1 LYS 98 HZ1 LYS 98 6.544 5.823 5.201 762 HZ2 LYS 98 HZ2 LYS 98 7.554 4.519 4.810 763 HZ3 LYS 98 HZ3 LYS 98 7.269 4.912 6.432 764 H LEU 99 H LEU 99 8.585 -2.101 3.826 765 HA LEU 99 HA LEU 99 9.866 -3.309 6.046 766 HB2 LEU 99 HB2 LEU 99 9.123 -4.364 3.323 767 HB3 LEU 99 HB3 LEU 99 9.888 -5.363 4.543 768 HG LEU 99 HG LEU 99 7.243 -3.960 4.921 769 HD11 LEU 99 HD11 LEU 99 7.069 -5.652 3.184 770 HD12 LEU 99 HD12 LEU 99 6.245 -6.176 4.654 771 HD13 LEU 99 HD13 LEU 99 7.829 -6.838 4.246 772 HD21 LEU 99 HD21 LEU 99 7.038 -5.453 6.857 773 HD22 LEU 99 HD22 LEU 99 8.434 -4.385 7.003 774 HD23 LEU 99 HD23 LEU 99 8.659 -6.074 6.546 775 H GLN 100 H GLN 100 10.979 -2.214 2.925 776 HA GLN 100 HA GLN 100 13.533 -3.483 3.056 777 HB2 GLN 100 HB2 GLN 100 12.394 -2.688 0.948 778 HB3 GLN 100 HB3 GLN 100 12.776 -1.044 1.439 779 HG2 GLN 100 HG2 GLN 100 14.383 -1.849 -0.181 780 HG3 GLN 100 HG3 GLN 100 15.163 -1.584 1.378 781 HE21 GLN 100 HE21 GLN 100 16.853 -2.978 0.856 782 HE22 GLN 100 HE22 GLN 100 16.646 -4.697 0.834 783 H GLY 101 H GLY 101 12.188 -0.516 4.272 784 HA2 GLY 101 HA2 GLY 101 13.389 0.208 6.330 785 HA3 GLY 101 HA3 GLY 101 14.851 0.137 5.367 786 H TYR 102 H TYR 102 11.980 1.407 3.863 787 HA TYR 102 HA TYR 102 13.179 4.077 4.065 788 HB2 TYR 102 HB2 TYR 102 11.163 2.983 2.127 789 HB3 TYR 102 HB3 TYR 102 11.595 4.677 2.213 790 HD1 TYR 102 HD2 TYR 102 12.952 1.298 1.484 791 HD2 TYR 102 HD1 TYR 102 13.527 5.502 1.171 792 HE1 TYR 102 HE2 TYR 102 14.834 0.924 -0.056 793 HE2 TYR 102 HE1 TYR 102 15.405 5.140 -0.372 794 HH TYR 102 HH TYR 102 17.015 3.397 -0.937 795 H GLN 103 H GLN 103 11.968 5.856 4.529 796 HA GLN 103 HA GLN 103 9.331 5.471 5.708 797 HB2 GLN 103 HB2 GLN 103 10.743 5.190 7.622 798 HB3 GLN 103 HB3 GLN 103 11.719 6.583 7.184 799 HG2 GLN 103 HG2 GLN 103 10.170 6.965 9.084 800 HG3 GLN 103 HG3 GLN 103 9.964 8.088 7.742 801 HE21 GLN 103 HE21 GLN 103 7.893 8.612 8.322 802 HE22 GLN 103 HE22 GLN 103 6.562 7.517 8.137 803 H LEU 104 H LEU 104 8.434 6.646 4.096 804 HA LEU 104 HA LEU 104 9.244 9.446 3.846 805 HB2 LEU 104 HB2 LEU 104 7.641 7.626 2.059 806 HB3 LEU 104 HB3 LEU 104 7.615 9.366 1.858 807 HG LEU 104 HG LEU 104 9.158 8.453 0.279 808 HD11 LEU 104 HD11 LEU 104 10.648 9.721 2.568 809 HD12 LEU 104 HD12 LEU 104 9.810 10.562 1.264 810 HD13 LEU 104 HD13 LEU 104 11.235 9.586 0.911 811 HD21 LEU 104 HD21 LEU 104 11.101 7.127 0.916 812 HD22 LEU 104 HD22 LEU 104 9.603 6.315 1.373 813 HD23 LEU 104 HD23 LEU 104 10.569 7.139 2.598 814 HA PRO 105 HA PRO 105 5.630 10.682 6.068 815 HB2 PRO 105 HB2 PRO 105 5.473 13.251 5.308 816 HB3 PRO 105 HB3 PRO 105 6.806 12.661 6.308 817 HG2 PRO 105 HG2 PRO 105 6.740 13.193 3.364 818 HG3 PRO 105 HG3 PRO 105 8.003 13.585 4.546 819 HD2 PRO 105 HD2 PRO 105 8.095 11.409 2.884 820 HD3 PRO 105 HD3 PRO 105 8.907 11.484 4.460 821 H SER 106 H SER 106 3.814 12.601 5.308 822 HA SER 106 HA SER 106 1.967 11.011 3.846 823 HB2 SER 106 HB2 SER 106 0.483 13.002 4.228 824 HB3 SER 106 HB3 SER 106 1.216 12.330 5.680 825 HG SER 106 HG SER 106 1.542 14.801 4.532 826 H ALA 107 H ALA 107 4.418 12.563 2.644 827 HA ALA 107 HA ALA 107 3.001 13.766 0.387 828 HB1 ALA 107 HB1 ALA 107 5.123 14.796 -0.220 829 HB2 ALA 107 HB2 ALA 107 5.925 13.946 1.100 830 HB3 ALA 107 HB3 ALA 107 4.699 15.165 1.450 831 H LEU 108 H LEU 108 2.402 11.924 -0.795 832 HA LEU 108 HA LEU 108 4.320 9.983 -1.658 833 HB2 LEU 108 HB2 LEU 108 1.531 10.691 -2.500 834 HB3 LEU 108 HB3 LEU 108 2.496 9.634 -3.508 835 HG LEU 108 HG LEU 108 1.564 9.115 -0.680 836 HD11 LEU 108 HD11 LEU 108 -0.088 8.744 -2.427 837 HD12 LEU 108 HD12 LEU 108 0.433 7.223 -1.704 838 HD13 LEU 108 HD13 LEU 108 1.045 7.701 -3.287 839 HD21 LEU 108 HD21 LEU 108 3.424 7.465 -2.393 840 HD22 LEU 108 HD22 LEU 108 2.727 6.966 -0.851 841 HD23 LEU 108 HD23 LEU 108 3.860 8.317 -0.912 842 HA PRO 109 HA PRO 109 6.226 12.369 -4.855 843 HB2 PRO 109 HB2 PRO 109 6.837 9.877 -6.264 844 HB3 PRO 109 HB3 PRO 109 7.938 11.006 -5.472 845 HG2 PRO 109 HG2 PRO 109 7.438 8.542 -4.486 846 HG3 PRO 109 HG3 PRO 109 7.786 9.930 -3.439 847 HD2 PRO 109 HD2 PRO 109 5.148 8.682 -4.120 848 HD3 PRO 109 HD3 PRO 109 5.744 9.274 -2.552 849 HA PRO 110 HA PRO 110 3.291 12.748 -8.117 850 HB2 PRO 110 HB2 PRO 110 5.456 13.726 -9.849 851 HB3 PRO 110 HB3 PRO 110 4.027 14.572 -9.247 852 HG2 PRO 110 HG2 PRO 110 6.491 15.138 -8.333 853 HG3 PRO 110 HG3 PRO 110 5.062 15.204 -7.285 854 HD2 PRO 110 HD2 PRO 110 7.148 13.067 -7.511 855 HD3 PRO 110 HD3 PRO 110 6.376 13.738 -6.057 856 H VAL 111 H VAL 111 6.244 10.995 -8.610 857 HA VAL 111 HA VAL 111 5.646 10.062 -11.241 858 HB VAL 111 HB VAL 111 7.583 8.889 -9.229 859 HG11 VAL 111 HG11 VAL 111 7.098 7.360 -11.055 860 HG12 VAL 111 HG12 VAL 111 8.739 7.991 -11.192 861 HG13 VAL 111 HG13 VAL 111 7.460 8.622 -12.232 862 HG21 VAL 111 HG21 VAL 111 9.289 10.220 -10.406 863 HG22 VAL 111 HG22 VAL 111 8.086 11.220 -9.595 864 HG23 VAL 111 HG23 VAL 111 8.011 10.996 -11.342 865 H MET 112 H MET 112 4.915 8.943 -8.024 866 HA MET 112 HA MET 112 4.165 6.296 -8.901 867 HB2 MET 112 HB2 MET 112 3.807 7.699 -6.254 868 HB3 MET 112 HB3 MET 112 3.362 6.025 -6.555 869 HG2 MET 112 HG2 MET 112 5.737 5.579 -7.145 870 HG3 MET 112 HG3 MET 112 6.116 7.221 -6.623 871 HE1 MET 112 HE1 MET 112 4.793 3.697 -5.547 872 HE2 MET 112 HE2 MET 112 3.470 4.752 -5.040 873 HE3 MET 112 HE3 MET 112 4.460 3.941 -3.830 874 H LYS 113 H LYS 113 2.532 9.265 -7.918 875 HA LYS 113 HA LYS 113 -0.085 8.119 -8.219 876 HB2 LYS 113 HB2 LYS 113 -0.883 10.438 -7.835 877 HB3 LYS 113 HB3 LYS 113 0.221 9.874 -6.588 878 HG2 LYS 113 HG2 LYS 113 2.024 11.151 -7.530 879 HG3 LYS 113 HG3 LYS 113 1.023 11.615 -8.906 880 HD2 LYS 113 HD2 LYS 113 0.349 12.305 -6.053 881 HD3 LYS 113 HD3 LYS 113 1.284 13.360 -7.115 882 HE2 LYS 113 HE2 LYS 113 -1.506 12.358 -7.692 883 HE3 LYS 113 HE3 LYS 113 -1.122 13.945 -7.025 884 HZ1 LYS 113 HZ1 LYS 113 -0.343 12.903 -9.702 885 HZ2 LYS 113 HZ2 LYS 113 0.196 14.372 -9.060 886 HZ3 LYS 113 HZ3 LYS 113 -1.450 14.146 -9.377 887 H GLN 114 H GLN 114 2.178 9.745 -10.242 888 HA GLN 114 HA GLN 114 2.123 10.692 -12.293 889 HB2 GLN 114 HB2 GLN 114 -0.139 8.722 -12.713 890 HB3 GLN 114 HB3 GLN 114 0.706 9.585 -13.989 891 HG2 GLN 114 HG2 GLN 114 2.808 8.487 -13.274 892 HG3 GLN 114 HG3 GLN 114 1.871 7.538 -12.121 893 HE21 GLN 114 HE21 GLN 114 3.484 6.670 -14.392 894 HE22 GLN 114 HE22 GLN 114 2.420 5.777 -15.429 895 H GLN 115 H GLN 115 0.117 11.396 -14.034 896 HA GLN 115 HA GLN 115 -1.363 13.013 -14.508 897 HB2 GLN 115 HB2 GLN 115 -3.489 12.862 -13.500 898 HB3 GLN 115 HB3 GLN 115 -2.826 11.244 -13.454 899 HG2 GLN 115 HG2 GLN 115 -2.245 11.571 -11.088 900 HG3 GLN 115 HG3 GLN 115 -2.973 13.175 -11.152 901 HE21 GLN 115 HE21 GLN 115 -3.569 9.755 -11.142 902 HE22 GLN 115 HE22 GLN 115 -5.272 9.850 -10.857 903 HA PRO 116 HA PRO 116 -0.639 16.838 -12.377 904 HB2 PRO 116 HB2 PRO 116 -3.444 17.686 -12.522 905 HB3 PRO 116 HB3 PRO 116 -2.031 18.344 -13.349 906 HG2 PRO 116 HG2 PRO 116 -3.941 16.978 -14.661 907 HG3 PRO 116 HG3 PRO 116 -2.233 16.904 -15.134 908 HD2 PRO 116 HD2 PRO 116 -3.849 14.938 -13.545 909 HD3 PRO 116 HD3 PRO 116 -2.671 14.640 -14.843 910 H VAL 117 H VAL 117 -1.854 18.428 -10.696 911 HA VAL 117 HA VAL 117 -2.946 16.756 -8.535 912 HB VAL 117 HB VAL 117 -1.728 18.151 -6.880 913 HG11 VAL 117 HG11 VAL 117 0.043 16.685 -8.831 914 HG12 VAL 117 HG12 VAL 117 -0.875 15.958 -7.511 915 HG13 VAL 117 HG13 VAL 117 0.445 17.073 -7.158 916 HG21 VAL 117 HG21 VAL 117 -1.311 20.122 -8.248 917 HG22 VAL 117 HG22 VAL 117 -0.230 19.191 -9.283 918 HG23 VAL 117 HG23 VAL 117 0.198 19.482 -7.597 919 H ALA 118 H ALA 118 -4.741 17.511 -7.612 920 HA ALA 118 HA ALA 118 -5.635 20.217 -8.303 921 HB1 ALA 118 HB1 ALA 118 -7.130 17.934 -7.013 922 HB2 ALA 118 HB2 ALA 118 -7.210 18.402 -8.711 923 HB3 ALA 118 HB3 ALA 118 -7.824 19.490 -7.466 924 H ILE 119 H ILE 119 -4.102 18.541 -5.860 925 HA ILE 119 HA ILE 119 -4.775 20.603 -3.869 926 HB ILE 119 HB ILE 119 -3.999 17.737 -3.273 927 HG12 ILE 119 HG12 ILE 119 -6.712 19.047 -2.964 928 HG13 ILE 119 HG13 ILE 119 -6.281 17.953 -4.275 929 HG21 ILE 119 HG21 ILE 119 -4.915 19.979 -1.473 930 HG22 ILE 119 HG22 ILE 119 -3.295 19.290 -1.550 931 HG23 ILE 119 HG23 ILE 119 -4.641 18.312 -0.965 932 HD11 ILE 119 HD11 ILE 119 -7.547 16.807 -2.552 933 HD12 ILE 119 HD12 ILE 119 -6.348 17.268 -1.343 934 HD13 ILE 119 HD13 ILE 119 -5.907 16.165 -2.647 935 H SER 120 H SER 120 -3.069 21.805 -3.288 936 HA SER 120 HA SER 120 -0.443 21.193 -4.224 937 HB2 SER 120 HB2 SER 120 -1.359 23.329 -2.284 938 HB3 SER 120 HB3 SER 120 0.205 23.269 -3.098 939 HG SER 120 HG SER 120 -0.673 24.045 -4.839 940 H SER 121 H SER 121 0.708 19.635 -3.330 941 HA SER 121 HA SER 121 1.251 19.701 -0.486 942 HB2 SER 121 HB2 SER 121 0.089 17.225 -1.795 943 HB3 SER 121 HB3 SER 121 0.720 17.313 -0.151 944 HG SER 121 HG SER 121 -1.095 19.266 -0.583 Start of MODEL 19 1 H1 MET 1 H1 MET 1 20.538 -34.453 -16.963 2 H2 MET 1 H2 MET 1 21.330 -33.696 -15.669 3 H3 MET 1 H3 MET 1 21.140 -35.381 -15.678 4 HA MET 1 HA MET 1 23.397 -34.739 -16.253 5 HB2 MET 1 HB2 MET 1 22.493 -36.820 -17.155 6 HB3 MET 1 HB3 MET 1 21.766 -35.949 -18.496 7 HG2 MET 1 HG2 MET 1 24.000 -35.333 -19.293 8 HG3 MET 1 HG3 MET 1 24.713 -36.247 -17.964 9 HE1 MET 1 HE1 MET 1 23.613 -39.912 -18.824 10 HE2 MET 1 HE2 MET 1 22.772 -38.762 -17.786 11 HE3 MET 1 HE3 MET 1 24.530 -38.893 -17.715 12 H GLY 2 H GLY 2 24.746 -33.388 -17.274 13 HA2 GLY 2 HA2 GLY 2 23.891 -31.926 -19.639 14 HA3 GLY 2 HA3 GLY 2 24.189 -30.947 -18.206 15 H HIS 3 H HIS 3 25.559 -31.979 -20.972 16 HA HIS 3 HA HIS 3 28.121 -32.854 -20.016 17 HB2 HIS 3 HB2 HIS 3 27.173 -32.069 -22.775 18 HB3 HIS 3 HB3 HIS 3 28.786 -32.677 -22.430 19 HD1 HIS 3 HD1 HIS 3 29.046 -35.189 -22.018 20 HD2 HIS 3 HD2 HIS 3 25.117 -33.987 -22.661 21 HE1 HIS 3 HE1 HIS 3 27.741 -37.301 -22.397 22 HE2 HIS 3 HE2 HIS 3 25.437 -36.521 -23.045 23 H HIS 4 H HIS 4 26.852 -29.859 -21.442 24 HA HIS 4 HA HIS 4 27.791 -27.809 -21.809 25 HB2 HIS 4 HB2 HIS 4 29.372 -28.608 -19.355 26 HB3 HIS 4 HB3 HIS 4 29.443 -27.004 -20.074 27 HD1 HIS 4 HD1 HIS 4 27.767 -25.351 -19.241 28 HD2 HIS 4 HD2 HIS 4 26.677 -29.281 -18.409 29 HE1 HIS 4 HE1 HIS 4 25.706 -25.196 -17.808 30 HE2 HIS 4 HE2 HIS 4 24.966 -27.585 -17.460 31 H HIS 5 H HIS 5 28.771 -30.007 -23.263 32 HA HIS 5 HA HIS 5 31.670 -29.528 -23.452 33 HB2 HIS 5 HB2 HIS 5 31.165 -31.778 -22.686 34 HB3 HIS 5 HB3 HIS 5 30.055 -32.027 -24.026 35 HD1 HIS 5 HD1 HIS 5 31.008 -33.410 -25.811 36 HD2 HIS 5 HD2 HIS 5 33.944 -31.234 -23.813 37 HE1 HIS 5 HE1 HIS 5 33.195 -34.089 -26.859 38 HE2 HIS 5 HE2 HIS 5 34.953 -32.716 -25.682 39 H HIS 6 H HIS 6 32.386 -28.636 -25.246 40 HA HIS 6 HA HIS 6 32.767 -28.229 -27.441 41 HB2 HIS 6 HB2 HIS 6 32.246 -30.683 -27.719 42 HB3 HIS 6 HB3 HIS 6 30.592 -30.222 -28.100 43 HD1 HIS 6 HD1 HIS 6 33.540 -31.171 -29.745 44 HD2 HIS 6 HD2 HIS 6 30.739 -28.164 -30.402 45 HE1 HIS 6 HE1 HIS 6 33.817 -30.494 -32.151 46 HE2 HIS 6 HE2 HIS 6 32.201 -28.594 -32.493 47 H HIS 7 H HIS 7 32.106 -26.134 -27.426 48 HA HIS 7 HA HIS 7 29.505 -25.682 -28.736 49 HB2 HIS 7 HB2 HIS 7 30.819 -23.804 -26.752 50 HB3 HIS 7 HB3 HIS 7 29.285 -23.548 -27.571 51 HD1 HIS 7 HD1 HIS 7 27.419 -25.541 -26.933 52 HD2 HIS 7 HD2 HIS 7 30.548 -24.818 -24.289 53 HE1 HIS 7 HE1 HIS 7 26.671 -26.480 -24.725 54 HE2 HIS 7 HE2 HIS 7 28.485 -25.821 -23.099 55 H HIS 8 H HIS 8 29.708 -23.156 -29.564 56 HA HIS 8 HA HIS 8 32.066 -23.201 -31.278 57 HB2 HIS 8 HB2 HIS 8 29.701 -21.313 -31.267 58 HB3 HIS 8 HB3 HIS 8 31.013 -21.282 -32.442 59 HD1 HIS 8 HD1 HIS 8 27.725 -22.154 -32.487 60 HD2 HIS 8 HD2 HIS 8 31.145 -24.344 -33.369 61 HE1 HIS 8 HE1 HIS 8 26.961 -24.045 -33.961 62 HE2 HIS 8 HE2 HIS 8 29.002 -25.490 -34.247 63 H SER 9 H SER 9 33.722 -22.725 -29.924 64 HA SER 9 HA SER 9 33.697 -20.610 -28.038 65 HB2 SER 9 HB2 SER 9 36.100 -21.993 -29.254 66 HB3 SER 9 HB3 SER 9 36.029 -21.151 -27.706 67 HG SER 9 HG SER 9 35.212 -22.871 -26.820 68 H HIS 10 H HIS 10 33.655 -18.520 -28.562 69 HA HIS 10 HA HIS 10 35.284 -17.635 -30.859 70 HB2 HIS 10 HB2 HIS 10 32.814 -17.336 -31.123 71 HB3 HIS 10 HB3 HIS 10 32.829 -16.279 -29.719 72 HD1 HIS 10 HD1 HIS 10 32.185 -14.128 -30.840 73 HD2 HIS 10 HD2 HIS 10 35.407 -15.997 -32.694 74 HE1 HIS 10 HE1 HIS 10 33.034 -12.486 -32.545 75 HE2 HIS 10 HE2 HIS 10 34.823 -13.731 -33.806 76 H MET 11 H MET 11 34.032 -16.688 -27.681 77 HA MET 11 HA MET 11 34.935 -15.579 -25.930 78 HB2 MET 11 HB2 MET 11 37.543 -16.244 -27.295 79 HB3 MET 11 HB3 MET 11 37.403 -15.601 -25.666 80 HG2 MET 11 HG2 MET 11 36.392 -18.252 -26.660 81 HG3 MET 11 HG3 MET 11 37.734 -17.969 -25.556 82 HE1 MET 11 HE1 MET 11 37.411 -16.945 -23.091 83 HE2 MET 11 HE2 MET 11 35.838 -16.545 -22.404 84 HE3 MET 11 HE3 MET 11 36.477 -15.602 -23.752 85 H ALA 12 H ALA 12 34.561 -14.219 -28.692 86 HA ALA 12 HA ALA 12 35.900 -11.721 -27.920 87 HB1 ALA 12 HB1 ALA 12 36.065 -11.127 -30.282 88 HB2 ALA 12 HB2 ALA 12 35.335 -12.669 -30.728 89 HB3 ALA 12 HB3 ALA 12 36.916 -12.637 -29.946 90 H GLN 13 H GLN 13 34.274 -10.722 -26.901 91 HA GLN 13 HA GLN 13 31.940 -10.015 -28.522 92 HB2 GLN 13 HB2 GLN 13 31.250 -11.893 -27.082 93 HB3 GLN 13 HB3 GLN 13 31.783 -11.000 -25.665 94 HG2 GLN 13 HG2 GLN 13 30.105 -9.289 -26.101 95 HG3 GLN 13 HG3 GLN 13 29.575 -10.169 -27.534 96 HE21 GLN 13 HE21 GLN 13 29.614 -10.095 -24.065 97 HE22 GLN 13 HE22 GLN 13 28.415 -11.314 -23.820 98 H PHE 14 H PHE 14 33.836 -9.481 -25.598 99 HA PHE 14 HA PHE 14 34.406 -7.642 -24.422 100 HB2 PHE 14 HB2 PHE 14 33.589 -6.167 -26.934 101 HB3 PHE 14 HB3 PHE 14 34.427 -5.435 -25.569 102 HD1 PHE 14 HD1 PHE 14 36.747 -6.050 -25.066 103 HD2 PHE 14 HD2 PHE 14 34.740 -7.536 -28.512 104 HE1 PHE 14 HE1 PHE 14 38.912 -6.688 -26.046 105 HE2 PHE 14 HE2 PHE 14 36.901 -8.189 -29.493 106 HZ PHE 14 HZ PHE 14 38.989 -7.762 -28.259 107 HA PRO 15 HA PRO 15 30.054 -7.312 -22.975 108 HB2 PRO 15 HB2 PRO 15 31.628 -6.921 -20.485 109 HB3 PRO 15 HB3 PRO 15 30.203 -7.927 -20.770 110 HG2 PRO 15 HG2 PRO 15 32.607 -9.012 -20.568 111 HG3 PRO 15 HG3 PRO 15 31.437 -9.629 -21.742 112 HD2 PRO 15 HD2 PRO 15 33.844 -7.914 -22.173 113 HD3 PRO 15 HD3 PRO 15 33.177 -9.200 -23.199 114 H THR 16 H THR 16 29.382 -5.449 -23.646 115 HA THR 16 HA THR 16 30.460 -2.995 -22.438 116 HB THR 16 HB THR 16 29.147 -3.253 -25.152 117 HG1 THR 16 HG1 THR 16 31.301 -4.159 -24.990 118 HG21 THR 16 HG21 THR 16 29.876 -0.940 -25.485 119 HG22 THR 16 HG22 THR 16 30.530 -0.901 -23.848 120 HG23 THR 16 HG23 THR 16 28.790 -1.056 -24.100 121 HA PRO 17 HA PRO 17 25.483 -2.622 -22.766 122 HB2 PRO 17 HB2 PRO 17 25.096 -5.574 -22.588 123 HB3 PRO 17 HB3 PRO 17 24.077 -4.353 -23.359 124 HG2 PRO 17 HG2 PRO 17 25.636 -5.923 -24.828 125 HG3 PRO 17 HG3 PRO 17 25.442 -4.207 -25.232 126 HD2 PRO 17 HD2 PRO 17 27.741 -5.606 -23.959 127 HD3 PRO 17 HD3 PRO 17 27.733 -4.217 -25.062 128 H PHE 18 H PHE 18 25.013 -1.986 -20.798 129 HA PHE 18 HA PHE 18 25.917 -3.604 -18.513 130 HB2 PHE 18 HB2 PHE 18 26.185 -1.503 -17.288 131 HB3 PHE 18 HB3 PHE 18 27.125 -1.470 -18.775 132 HD1 PHE 18 HD1 PHE 18 25.952 -0.367 -20.825 133 HD2 PHE 18 HD2 PHE 18 24.811 0.274 -16.777 134 HE1 PHE 18 HE1 PHE 18 24.859 1.743 -21.468 135 HE2 PHE 18 HE2 PHE 18 23.709 2.378 -17.414 136 HZ PHE 18 HZ PHE 18 23.732 3.114 -19.761 137 H GLY 19 H GLY 19 24.676 -2.651 -16.438 138 HA2 GLY 19 HA2 GLY 19 21.813 -2.406 -17.090 139 HA3 GLY 19 HA3 GLY 19 22.353 -3.602 -15.919 140 H GLY 20 H GLY 20 20.722 -2.238 -14.653 141 HA2 GLY 20 HA2 GLY 20 21.776 -1.081 -12.504 142 HA3 GLY 20 HA3 GLY 20 21.855 0.255 -13.643 143 H SER 21 H SER 21 20.454 0.902 -11.595 144 HA SER 21 HA SER 21 17.642 0.481 -12.366 145 HB2 SER 21 HB2 SER 21 18.707 0.971 -9.572 146 HB3 SER 21 HB3 SER 21 17.023 0.687 -10.013 147 HG SER 21 HG SER 21 18.257 -1.344 -11.017 148 H LEU 22 H LEU 22 16.672 2.274 -13.050 149 HA LEU 22 HA LEU 22 17.639 4.863 -12.013 150 HB2 LEU 22 HB2 LEU 22 18.244 4.423 -14.399 151 HB3 LEU 22 HB3 LEU 22 16.534 4.354 -14.773 152 HG LEU 22 HG LEU 22 16.283 6.697 -14.089 153 HD11 LEU 22 HD11 LEU 22 19.268 6.611 -13.682 154 HD12 LEU 22 HD12 LEU 22 18.049 6.809 -12.425 155 HD13 LEU 22 HD13 LEU 22 18.268 8.063 -13.646 156 HD21 LEU 22 HD21 LEU 22 17.508 7.699 -15.954 157 HD22 LEU 22 HD22 LEU 22 16.746 6.179 -16.420 158 HD23 LEU 22 HD23 LEU 22 18.480 6.235 -16.099 159 H ASP 23 H ASP 23 15.078 2.736 -12.358 160 HA ASP 23 HA ASP 23 13.231 4.769 -11.384 161 HB2 ASP 23 HB2 ASP 23 11.380 3.650 -12.527 162 HB3 ASP 23 HB3 ASP 23 12.578 4.200 -13.684 163 H THR 24 H THR 24 12.467 4.323 -9.478 164 HA THR 24 HA THR 24 12.437 1.530 -8.549 165 HB THR 24 HB THR 24 13.253 3.896 -6.849 166 HG1 THR 24 HG1 THR 24 14.678 2.395 -8.599 167 HG21 THR 24 HG21 THR 24 13.320 0.920 -6.312 168 HG22 THR 24 HG22 THR 24 12.210 2.080 -5.584 169 HG23 THR 24 HG23 THR 24 13.935 2.174 -5.231 170 H TRP 25 H TRP 25 11.241 4.831 -7.965 171 HA TRP 25 HA TRP 25 9.130 3.895 -6.245 172 HB2 TRP 25 HB2 TRP 25 9.781 6.611 -7.395 173 HB3 TRP 25 HB3 TRP 25 8.407 6.314 -6.335 174 HD1 TRP 25 HD1 TRP 25 12.148 6.838 -6.290 175 HE1 TRP 25 HE1 TRP 25 12.973 6.897 -3.849 176 HE3 TRP 25 HE3 TRP 25 7.876 5.288 -3.962 177 HZ2 TRP 25 HZ2 TRP 25 11.935 6.351 -1.276 178 HZ3 TRP 25 HZ3 TRP 25 7.870 5.081 -1.513 179 HH2 TRP 25 HH2 TRP 25 9.857 5.602 -0.197 180 H ALA 26 H ALA 26 9.518 4.561 -9.606 181 HA ALA 26 HA ALA 26 6.874 5.118 -10.347 182 HB1 ALA 26 HB1 ALA 26 8.983 3.698 -11.970 183 HB2 ALA 26 HB2 ALA 26 8.814 5.448 -11.817 184 HB3 ALA 26 HB3 ALA 26 7.543 4.503 -12.592 185 H ILE 27 H ILE 27 5.169 3.845 -10.999 186 HA ILE 27 HA ILE 27 5.294 1.063 -10.118 187 HB ILE 27 HB ILE 27 2.882 2.703 -10.906 188 HG12 ILE 27 HG12 ILE 27 3.933 1.913 -8.176 189 HG13 ILE 27 HG13 ILE 27 3.941 3.538 -8.855 190 HG21 ILE 27 HG21 ILE 27 3.081 -0.032 -9.646 191 HG22 ILE 27 HG22 ILE 27 2.512 0.333 -11.276 192 HG23 ILE 27 HG23 ILE 27 1.587 0.876 -9.876 193 HD11 ILE 27 HD11 ILE 27 1.480 1.927 -8.218 194 HD12 ILE 27 HD12 ILE 27 1.518 3.581 -8.835 195 HD13 ILE 27 HD13 ILE 27 2.150 3.224 -7.227 196 H THR 28 H THR 28 6.304 0.038 -11.742 197 HA THR 28 HA THR 28 5.648 0.338 -14.501 198 HB THR 28 HB THR 28 7.075 -1.995 -13.212 199 HG1 THR 28 HG1 THR 28 8.956 -0.719 -13.312 200 HG21 THR 28 HG21 THR 28 8.332 -2.039 -15.312 201 HG22 THR 28 HG22 THR 28 7.402 -0.664 -15.910 202 HG23 THR 28 HG23 THR 28 6.604 -2.210 -15.612 203 H VAL 29 H VAL 29 4.794 -1.500 -15.835 204 HA VAL 29 HA VAL 29 2.318 -2.433 -15.062 205 HB VAL 29 HB VAL 29 3.127 -2.423 -17.387 206 HG11 VAL 29 HG11 VAL 29 5.366 -3.313 -17.030 207 HG12 VAL 29 HG12 VAL 29 4.496 -4.245 -18.249 208 HG13 VAL 29 HG13 VAL 29 4.681 -4.885 -16.617 209 HG21 VAL 29 HG21 VAL 29 1.132 -3.697 -16.820 210 HG22 VAL 29 HG22 VAL 29 2.125 -5.109 -16.459 211 HG23 VAL 29 HG23 VAL 29 2.035 -4.493 -18.109 212 H GLU 30 H GLU 30 5.453 -3.900 -14.568 213 HA GLU 30 HA GLU 30 4.683 -6.412 -13.630 214 HB2 GLU 30 HB2 GLU 30 7.043 -4.716 -12.786 215 HB3 GLU 30 HB3 GLU 30 6.893 -6.453 -12.593 216 HG2 GLU 30 HG2 GLU 30 6.929 -6.787 -14.963 217 HG3 GLU 30 HG3 GLU 30 6.878 -5.048 -15.245 218 H GLU 31 H GLU 31 5.230 -3.365 -11.890 219 HA GLU 31 HA GLU 31 4.632 -4.302 -9.305 220 HB2 GLU 31 HB2 GLU 31 4.269 -1.517 -10.443 221 HB3 GLU 31 HB3 GLU 31 4.297 -1.930 -8.736 222 HG2 GLU 31 HG2 GLU 31 6.619 -2.503 -10.544 223 HG3 GLU 31 HG3 GLU 31 6.408 -0.946 -9.743 224 H ARG 32 H ARG 32 2.651 -2.994 -11.903 225 HA ARG 32 HA ARG 32 0.245 -2.810 -10.414 226 HB2 ARG 32 HB2 ARG 32 0.595 -1.570 -12.507 227 HB3 ARG 32 HB3 ARG 32 0.622 -3.079 -13.405 228 HG2 ARG 32 HG2 ARG 32 -1.659 -3.478 -13.024 229 HG3 ARG 32 HG3 ARG 32 -1.740 -2.273 -11.739 230 HD2 ARG 32 HD2 ARG 32 -2.816 -1.444 -13.742 231 HD3 ARG 32 HD3 ARG 32 -1.372 -0.502 -13.391 232 HE ARG 32 HE ARG 32 -0.265 -1.634 -15.210 233 HH11 ARG 32 HH11 ARG 32 -3.731 -2.140 -15.007 234 HH12 ARG 32 HH12 ARG 32 -3.910 -2.479 -16.703 235 HH21 ARG 32 HH21 ARG 32 -0.496 -2.064 -17.439 236 HH22 ARG 32 HH22 ARG 32 -2.065 -2.433 -18.095 237 H ALA 33 H ALA 33 1.471 -5.261 -12.667 238 HA ALA 33 HA ALA 33 -0.672 -7.063 -12.443 239 HB1 ALA 33 HB1 ALA 33 0.871 -8.742 -13.330 240 HB2 ALA 33 HB2 ALA 33 2.228 -7.658 -13.020 241 HB3 ALA 33 HB3 ALA 33 1.001 -7.220 -14.209 242 H LYS 34 H LYS 34 2.213 -6.607 -10.491 243 HA LYS 34 HA LYS 34 2.066 -8.949 -8.953 244 HB2 LYS 34 HB2 LYS 34 3.983 -7.285 -9.111 245 HB3 LYS 34 HB3 LYS 34 3.093 -6.283 -7.975 246 HG2 LYS 34 HG2 LYS 34 3.189 -8.850 -6.846 247 HG3 LYS 34 HG3 LYS 34 4.807 -8.514 -7.465 248 HD2 LYS 34 HD2 LYS 34 4.802 -6.370 -6.261 249 HD3 LYS 34 HD3 LYS 34 3.201 -6.749 -5.619 250 HE2 LYS 34 HE2 LYS 34 4.212 -8.819 -4.615 251 HE3 LYS 34 HE3 LYS 34 5.791 -8.191 -5.086 252 HZ1 LYS 34 HZ1 LYS 34 5.325 -7.627 -2.807 253 HZ2 LYS 34 HZ2 LYS 34 3.858 -6.902 -3.241 254 HZ3 LYS 34 HZ3 LYS 34 5.321 -6.204 -3.735 255 H HIS 35 H HIS 35 0.271 -5.971 -8.793 256 HA HIS 35 HA HIS 35 -0.693 -6.074 -6.160 257 HB2 HIS 35 HB2 HIS 35 -2.154 -5.129 -8.638 258 HB3 HIS 35 HB3 HIS 35 -2.660 -4.811 -6.990 259 HD1 HIS 35 HD1 HIS 35 0.418 -4.110 -6.123 260 HD2 HIS 35 HD2 HIS 35 -1.860 -2.438 -9.165 261 HE1 HIS 35 HE1 HIS 35 1.385 -1.824 -6.512 262 HE2 HIS 35 HE2 HIS 35 -0.174 -0.749 -8.179 263 H ASP 36 H ASP 36 -1.889 -7.551 -9.130 264 HA ASP 36 HA ASP 36 -4.366 -8.433 -8.185 265 HB2 ASP 36 HB2 ASP 36 -3.676 -8.284 -10.585 266 HB3 ASP 36 HB3 ASP 36 -2.687 -9.721 -10.346 267 H GLN 37 H GLN 37 -1.219 -10.020 -8.231 268 HA GLN 37 HA GLN 37 -2.079 -12.591 -7.499 269 HB2 GLN 37 HB2 GLN 37 0.592 -11.321 -6.870 270 HB3 GLN 37 HB3 GLN 37 0.244 -13.041 -6.965 271 HG2 GLN 37 HG2 GLN 37 0.042 -11.122 -9.276 272 HG3 GLN 37 HG3 GLN 37 1.432 -12.149 -8.940 273 HE21 GLN 37 HE21 GLN 37 1.228 -13.168 -10.930 274 HE22 GLN 37 HE22 GLN 37 -0.029 -14.328 -11.246 275 H GLN 38 H GLN 38 -0.925 -9.880 -5.508 276 HA GLN 38 HA GLN 38 -1.200 -11.370 -3.072 277 HB2 GLN 38 HB2 GLN 38 -0.882 -8.383 -3.413 278 HB3 GLN 38 HB3 GLN 38 -0.595 -9.310 -1.946 279 HG2 GLN 38 HG2 GLN 38 1.183 -10.557 -3.237 280 HG3 GLN 38 HG3 GLN 38 1.003 -9.329 -4.488 281 HE21 GLN 38 HE21 GLN 38 2.187 -10.060 -1.343 282 HE22 GLN 38 HE22 GLN 38 3.018 -8.569 -1.067 283 H PHE 39 H PHE 39 -3.082 -8.942 -4.786 284 HA PHE 39 HA PHE 39 -5.094 -8.513 -2.872 285 HB2 PHE 39 HB2 PHE 39 -4.700 -7.157 -4.947 286 HB3 PHE 39 HB3 PHE 39 -5.382 -8.474 -5.888 287 HD1 PHE 39 HD1 PHE 39 -6.578 -7.086 -2.650 288 HD2 PHE 39 HD2 PHE 39 -7.272 -7.545 -6.824 289 HE1 PHE 39 HE1 PHE 39 -8.805 -6.072 -2.394 290 HE2 PHE 39 HE2 PHE 39 -9.495 -6.529 -6.571 291 HZ PHE 39 HZ PHE 39 -10.257 -5.773 -4.355 292 H HIS 40 H HIS 40 -4.795 -10.866 -5.480 293 HA HIS 40 HA HIS 40 -7.210 -12.217 -5.270 294 HB2 HIS 40 HB2 HIS 40 -5.449 -12.546 -7.011 295 HB3 HIS 40 HB3 HIS 40 -4.470 -13.387 -5.823 296 HD1 HIS 40 HD1 HIS 40 -6.985 -13.920 -8.381 297 HD2 HIS 40 HD2 HIS 40 -5.680 -15.929 -4.977 298 HE1 HIS 40 HE1 HIS 40 -7.773 -16.296 -8.646 299 HE2 HIS 40 HE2 HIS 40 -6.803 -17.531 -6.673 300 H SER 41 H SER 41 -4.245 -12.576 -3.417 301 HA SER 41 HA SER 41 -5.113 -14.908 -2.027 302 HB2 SER 41 HB2 SER 41 -2.835 -13.052 -1.314 303 HB3 SER 41 HB3 SER 41 -3.006 -14.754 -0.894 304 HG SER 41 HG SER 41 -2.450 -13.597 -3.418 305 H LEU 42 H LEU 42 -5.627 -11.549 -1.595 306 HA LEU 42 HA LEU 42 -5.791 -11.562 1.272 307 HB2 LEU 42 HB2 LEU 42 -6.701 -9.572 -0.798 308 HB3 LEU 42 HB3 LEU 42 -6.858 -9.313 0.927 309 HG LEU 42 HG LEU 42 -4.253 -9.672 -0.555 310 HD11 LEU 42 HD11 LEU 42 -3.914 -7.304 -0.062 311 HD12 LEU 42 HD12 LEU 42 -5.518 -7.221 0.667 312 HD13 LEU 42 HD13 LEU 42 -5.351 -7.548 -1.058 313 HD21 LEU 42 HD21 LEU 42 -4.143 -10.524 1.731 314 HD22 LEU 42 HD22 LEU 42 -4.810 -9.007 2.336 315 HD23 LEU 42 HD23 LEU 42 -3.220 -9.027 1.572 316 H LYS 43 H LYS 43 -7.828 -12.644 -1.151 317 HA LYS 43 HA LYS 43 -9.989 -13.335 -1.260 318 HB2 LYS 43 HB2 LYS 43 -9.937 -12.919 1.734 319 HB3 LYS 43 HB3 LYS 43 -11.271 -13.652 0.861 320 HG2 LYS 43 HG2 LYS 43 -8.515 -14.797 0.673 321 HG3 LYS 43 HG3 LYS 43 -9.557 -15.159 2.047 322 HD2 LYS 43 HD2 LYS 43 -9.902 -16.914 0.514 323 HD3 LYS 43 HD3 LYS 43 -11.309 -15.864 0.354 324 HE2 LYS 43 HE2 LYS 43 -10.510 -16.584 -1.825 325 HE3 LYS 43 HE3 LYS 43 -10.321 -14.842 -1.631 326 HZ1 LYS 43 HZ1 LYS 43 -8.380 -15.938 -2.655 327 HZ2 LYS 43 HZ2 LYS 43 -8.141 -16.821 -1.224 328 HZ3 LYS 43 HZ3 LYS 43 -7.995 -15.140 -1.212 329 HA PRO 44 HA PRO 44 -11.322 -8.863 -1.125 330 HB2 PRO 44 HB2 PRO 44 -11.704 -8.629 -3.805 331 HB3 PRO 44 HB3 PRO 44 -10.167 -8.269 -3.016 332 HG2 PRO 44 HG2 PRO 44 -11.008 -10.723 -4.495 333 HG3 PRO 44 HG3 PRO 44 -9.453 -9.874 -4.531 334 HD2 PRO 44 HD2 PRO 44 -9.846 -12.143 -3.094 335 HD3 PRO 44 HD3 PRO 44 -8.720 -10.867 -2.594 336 H ILE 45 H ILE 45 -13.438 -8.085 -1.576 337 HA ILE 45 HA ILE 45 -15.398 -10.212 -2.075 338 HB ILE 45 HB ILE 45 -15.837 -7.447 -0.908 339 HG12 ILE 45 HG12 ILE 45 -16.502 -8.886 1.137 340 HG13 ILE 45 HG13 ILE 45 -15.607 -10.179 0.350 341 HG21 ILE 45 HG21 ILE 45 -17.759 -9.740 -1.303 342 HG22 ILE 45 HG22 ILE 45 -17.790 -8.185 -2.134 343 HG23 ILE 45 HG23 ILE 45 -18.113 -8.264 -0.403 344 HD11 ILE 45 HD11 ILE 45 -14.242 -9.060 2.009 345 HD12 ILE 45 HD12 ILE 45 -14.496 -7.514 1.203 346 HD13 ILE 45 HD13 ILE 45 -13.587 -8.790 0.393 347 H SER 46 H SER 46 -15.841 -10.380 -4.160 348 HA SER 46 HA SER 46 -16.391 -9.901 -6.304 349 HB2 SER 46 HB2 SER 46 -18.204 -8.550 -5.278 350 HB3 SER 46 HB3 SER 46 -17.131 -7.152 -5.262 351 HG SER 46 HG SER 46 -17.160 -8.181 -7.734 352 H GLY 47 H GLY 47 -15.235 -6.677 -5.334 353 HA2 GLY 47 HA2 GLY 47 -12.665 -7.079 -6.560 354 HA3 GLY 47 HA3 GLY 47 -13.730 -6.051 -7.509 355 H PHE 48 H PHE 48 -13.879 -6.141 -4.027 356 HA PHE 48 HA PHE 48 -12.373 -3.667 -3.808 357 HB2 PHE 48 HB2 PHE 48 -14.233 -2.532 -2.619 358 HB3 PHE 48 HB3 PHE 48 -14.583 -2.838 -4.314 359 HD1 PHE 48 HD1 PHE 48 -15.289 -3.953 -0.865 360 HD2 PHE 48 HD2 PHE 48 -16.420 -4.174 -4.961 361 HE1 PHE 48 HE1 PHE 48 -17.388 -5.064 -0.221 362 HE2 PHE 48 HE2 PHE 48 -18.522 -5.282 -4.326 363 HZ PHE 48 HZ PHE 48 -19.007 -5.729 -1.949 364 H ILE 49 H ILE 49 -12.186 -2.957 -1.525 365 HA ILE 49 HA ILE 49 -12.610 -5.037 0.475 366 HB ILE 49 HB ILE 49 -10.297 -4.663 1.387 367 HG12 ILE 49 HG12 ILE 49 -9.775 -3.489 -1.357 368 HG13 ILE 49 HG13 ILE 49 -9.821 -2.574 0.146 369 HG21 ILE 49 HG21 ILE 49 -10.505 -5.966 -1.322 370 HG22 ILE 49 HG22 ILE 49 -10.821 -6.719 0.241 371 HG23 ILE 49 HG23 ILE 49 -9.185 -6.209 -0.180 372 HD11 ILE 49 HD11 ILE 49 -7.540 -3.025 -0.576 373 HD12 ILE 49 HD12 ILE 49 -7.859 -4.759 -0.517 374 HD13 ILE 49 HD13 ILE 49 -7.891 -3.805 0.966 375 H THR 50 H THR 50 -11.573 -3.985 2.654 376 HA THR 50 HA THR 50 -12.054 -1.118 2.718 377 HB THR 50 HB THR 50 -14.239 -2.200 3.283 378 HG1 THR 50 HG1 THR 50 -14.534 -0.533 4.543 379 HG21 THR 50 HG21 THR 50 -13.410 -4.221 4.360 380 HG22 THR 50 HG22 THR 50 -14.469 -3.333 5.454 381 HG23 THR 50 HG23 THR 50 -12.719 -3.260 5.669 382 H GLY 51 H GLY 51 -11.703 -0.531 5.294 383 HA2 GLY 51 HA2 GLY 51 -8.942 -0.688 5.581 384 HA3 GLY 51 HA3 GLY 51 -10.052 -0.213 6.852 385 H ASP 52 H ASP 52 -11.415 -2.762 7.007 386 HA ASP 52 HA ASP 52 -9.809 -4.025 8.926 387 HB2 ASP 52 HB2 ASP 52 -12.296 -4.187 8.810 388 HB3 ASP 52 HB3 ASP 52 -12.127 -5.250 7.419 389 H GLN 53 H GLN 53 -10.459 -4.878 5.545 390 HA GLN 53 HA GLN 53 -8.667 -7.116 5.589 391 HB2 GLN 53 HB2 GLN 53 -10.039 -5.639 3.347 392 HB3 GLN 53 HB3 GLN 53 -8.907 -6.949 3.051 393 HG2 GLN 53 HG2 GLN 53 -10.979 -7.974 2.953 394 HG3 GLN 53 HG3 GLN 53 -10.415 -8.340 4.581 395 HE21 GLN 53 HE21 GLN 53 -12.711 -6.598 2.667 396 HE22 GLN 53 HE22 GLN 53 -13.751 -6.127 3.971 397 H ALA 54 H ALA 54 -8.516 -3.763 4.525 398 HA ALA 54 HA ALA 54 -6.117 -3.845 3.113 399 HB1 ALA 54 HB1 ALA 54 -6.056 -1.434 3.385 400 HB2 ALA 54 HB2 ALA 54 -7.242 -1.533 4.686 401 HB3 ALA 54 HB3 ALA 54 -7.699 -1.974 3.040 402 H ARG 55 H ARG 55 -6.699 -3.292 6.565 403 HA ARG 55 HA ARG 55 -4.099 -2.491 7.234 404 HB2 ARG 55 HB2 ARG 55 -4.684 -3.034 9.551 405 HB3 ARG 55 HB3 ARG 55 -5.972 -2.147 8.748 406 HG2 ARG 55 HG2 ARG 55 -7.168 -4.273 8.389 407 HG3 ARG 55 HG3 ARG 55 -5.895 -5.107 9.282 408 HD2 ARG 55 HD2 ARG 55 -7.604 -2.882 10.384 409 HD3 ARG 55 HD3 ARG 55 -7.890 -4.600 10.652 410 HE ARG 55 HE ARG 55 -5.474 -4.485 11.602 411 HH11 ARG 55 HH11 ARG 55 -7.944 -2.014 11.885 412 HH12 ARG 55 HH12 ARG 55 -7.403 -1.472 13.451 413 HH21 ARG 55 HH21 ARG 55 -4.750 -3.775 13.656 414 HH22 ARG 55 HH22 ARG 55 -5.585 -2.477 14.461 415 H ASN 56 H ASN 56 -5.508 -5.685 6.894 416 HA ASN 56 HA ASN 56 -3.467 -7.125 8.212 417 HB2 ASN 56 HB2 ASN 56 -5.617 -8.156 7.827 418 HB3 ASN 56 HB3 ASN 56 -5.438 -7.984 6.085 419 HD21 ASN 56 HD21 ASN 56 -4.394 -9.727 8.915 420 HD22 ASN 56 HD22 ASN 56 -3.687 -11.060 8.072 421 H PHE 57 H PHE 57 -3.807 -5.930 4.956 422 HA PHE 57 HA PHE 57 -1.876 -7.507 3.676 423 HB2 PHE 57 HB2 PHE 57 -3.517 -6.057 2.500 424 HB3 PHE 57 HB3 PHE 57 -2.587 -4.649 3.017 425 HD1 PHE 57 HD2 PHE 57 -2.412 -7.761 1.028 426 HD2 PHE 57 HD1 PHE 57 -0.684 -3.967 1.855 427 HE1 PHE 57 HE2 PHE 57 -0.923 -8.025 -0.910 428 HE2 PHE 57 HE1 PHE 57 0.806 -4.227 -0.070 429 HZ PHE 57 HZ PHE 57 0.693 -6.252 -1.464 430 H PHE 58 H PHE 58 -1.487 -4.173 4.938 431 HA PHE 58 HA PHE 58 1.350 -4.403 4.598 432 HB2 PHE 58 HB2 PHE 58 1.406 -2.157 5.789 433 HB3 PHE 58 HB3 PHE 58 0.592 -2.227 4.237 434 HD1 PHE 58 HD2 PHE 58 -0.045 -2.237 7.899 435 HD2 PHE 58 HD1 PHE 58 -1.572 -1.445 4.009 436 HE1 PHE 58 HE2 PHE 58 -2.027 -1.168 8.894 437 HE2 PHE 58 HE1 PHE 58 -3.549 -0.369 4.996 438 HZ PHE 58 HZ PHE 58 -3.780 -0.233 7.445 439 H PHE 59 H PHE 59 -0.865 -5.043 7.158 440 HA PHE 59 HA PHE 59 0.883 -4.952 9.357 441 HB2 PHE 59 HB2 PHE 59 -1.509 -5.204 9.669 442 HB3 PHE 59 HB3 PHE 59 -1.500 -6.736 8.808 443 HD1 PHE 59 HD1 PHE 59 -0.006 -5.107 11.805 444 HD2 PHE 59 HD2 PHE 59 -1.430 -8.690 10.009 445 HE1 PHE 59 HE1 PHE 59 0.295 -6.293 13.936 446 HE2 PHE 59 HE2 PHE 59 -1.126 -9.884 12.136 447 HZ PHE 59 HZ PHE 59 -0.265 -8.681 14.106 448 H GLN 60 H GLN 60 0.448 -7.274 6.803 449 HA GLN 60 HA GLN 60 1.744 -9.478 7.992 450 HB2 GLN 60 HB2 GLN 60 0.191 -9.582 6.070 451 HB3 GLN 60 HB3 GLN 60 1.397 -8.788 5.071 452 HG2 GLN 60 HG2 GLN 60 1.337 -11.171 4.670 453 HG3 GLN 60 HG3 GLN 60 2.891 -10.682 5.337 454 HE21 GLN 60 HE21 GLN 60 3.476 -11.353 7.376 455 HE22 GLN 60 HE22 GLN 60 2.617 -12.584 8.238 456 H SER 61 H SER 61 3.037 -6.544 6.955 457 HA SER 61 HA SER 61 5.498 -7.448 5.839 458 HB2 SER 61 HB2 SER 61 6.253 -5.130 6.131 459 HB3 SER 61 HB3 SER 61 4.631 -5.171 5.440 460 HG SER 61 HG SER 61 3.822 -4.340 7.226 461 H GLY 62 H GLY 62 4.447 -6.573 9.092 462 HA2 GLY 62 HA2 GLY 62 5.506 -7.519 11.033 463 HA3 GLY 62 HA3 GLY 62 7.009 -7.596 10.124 464 H LEU 63 H LEU 63 5.384 -4.735 9.520 465 HA LEU 63 HA LEU 63 7.218 -3.180 11.125 466 HB2 LEU 63 HB2 LEU 63 5.005 -2.445 9.206 467 HB3 LEU 63 HB3 LEU 63 5.932 -1.248 10.090 468 HG LEU 63 HG LEU 63 7.196 -3.249 8.213 469 HD11 LEU 63 HD11 LEU 63 7.268 -1.469 6.567 470 HD12 LEU 63 HD12 LEU 63 6.396 -0.394 7.661 471 HD13 LEU 63 HD13 LEU 63 5.598 -1.825 7.008 472 HD21 LEU 63 HD21 LEU 63 9.083 -1.720 8.290 473 HD22 LEU 63 HD22 LEU 63 8.666 -2.254 9.919 474 HD23 LEU 63 HD23 LEU 63 8.196 -0.644 9.369 475 HA PRO 64 HA PRO 64 4.556 -2.394 14.587 476 HB2 PRO 64 HB2 PRO 64 5.322 0.449 14.522 477 HB3 PRO 64 HB3 PRO 64 5.629 -0.767 15.765 478 HG2 PRO 64 HG2 PRO 64 7.598 0.174 14.204 479 HG3 PRO 64 HG3 PRO 64 7.561 -1.514 14.748 480 HD2 PRO 64 HD2 PRO 64 6.787 -0.363 12.089 481 HD3 PRO 64 HD3 PRO 64 7.698 -1.844 12.453 482 H GLN 65 H GLN 65 2.603 -1.419 15.204 483 HA GLN 65 HA GLN 65 0.776 -1.001 13.160 484 HB2 GLN 65 HB2 GLN 65 0.586 -0.217 16.065 485 HB3 GLN 65 HB3 GLN 65 -0.769 -0.191 14.943 486 HG2 GLN 65 HG2 GLN 65 -0.505 -2.592 14.573 487 HG3 GLN 65 HG3 GLN 65 0.839 -2.615 15.712 488 HE21 GLN 65 HE21 GLN 65 0.422 -2.331 17.912 489 HE22 GLN 65 HE22 GLN 65 -1.157 -2.548 18.579 490 HA PRO 66 HA PRO 66 1.121 3.872 14.106 491 HB2 PRO 66 HB2 PRO 66 4.071 3.771 14.560 492 HB3 PRO 66 HB3 PRO 66 2.870 4.893 15.212 493 HG2 PRO 66 HG2 PRO 66 3.857 2.950 16.730 494 HG3 PRO 66 HG3 PRO 66 2.137 3.376 16.815 495 HD2 PRO 66 HD2 PRO 66 3.452 1.039 15.508 496 HD3 PRO 66 HD3 PRO 66 1.890 1.133 16.344 497 H VAL 67 H VAL 67 3.837 1.983 12.808 498 HA VAL 67 HA VAL 67 4.293 3.735 10.595 499 HB VAL 67 HB VAL 67 5.197 0.875 11.003 500 HG11 VAL 67 HG11 VAL 67 6.210 2.986 9.098 501 HG12 VAL 67 HG12 VAL 67 5.293 1.545 8.658 502 HG13 VAL 67 HG13 VAL 67 6.913 1.386 9.334 503 HG21 VAL 67 HG21 VAL 67 6.613 3.478 11.576 504 HG22 VAL 67 HG22 VAL 67 7.321 1.869 11.723 505 HG23 VAL 67 HG23 VAL 67 5.988 2.346 12.776 506 H LEU 68 H LEU 68 2.614 0.678 11.085 507 HA LEU 68 HA LEU 68 1.847 0.124 8.462 508 HB2 LEU 68 HB2 LEU 68 0.318 -0.367 11.017 509 HB3 LEU 68 HB3 LEU 68 -0.017 -1.135 9.479 510 HG LEU 68 HG LEU 68 2.490 -1.472 11.120 511 HD11 LEU 68 HD11 LEU 68 0.223 -3.364 10.536 512 HD12 LEU 68 HD12 LEU 68 0.553 -2.581 12.081 513 HD13 LEU 68 HD13 LEU 68 1.693 -3.758 11.425 514 HD21 LEU 68 HD21 LEU 68 1.674 -2.763 8.523 515 HD22 LEU 68 HD22 LEU 68 3.098 -3.176 9.479 516 HD23 LEU 68 HD23 LEU 68 2.969 -1.582 8.736 517 H ALA 69 H ALA 69 0.179 1.964 10.970 518 HA ALA 69 HA ALA 69 -2.072 2.697 9.466 519 HB1 ALA 69 HB1 ALA 69 -0.812 4.205 11.755 520 HB2 ALA 69 HB2 ALA 69 -1.937 2.856 11.924 521 HB3 ALA 69 HB3 ALA 69 -2.471 4.364 11.179 522 H GLN 70 H GLN 70 1.145 4.063 9.671 523 HA GLN 70 HA GLN 70 0.546 6.483 8.334 524 HB2 GLN 70 HB2 GLN 70 2.953 5.034 9.236 525 HB3 GLN 70 HB3 GLN 70 3.186 6.102 7.866 526 HG2 GLN 70 HG2 GLN 70 1.831 7.009 10.380 527 HG3 GLN 70 HG3 GLN 70 3.582 7.071 10.177 528 HE21 GLN 70 HE21 GLN 70 0.520 8.308 9.001 529 HE22 GLN 70 HE22 GLN 70 1.160 9.717 8.240 530 H ILE 71 H ILE 71 1.726 3.304 7.251 531 HA ILE 71 HA ILE 71 2.150 3.896 4.560 532 HB ILE 71 HB ILE 71 1.174 1.353 5.863 533 HG12 ILE 71 HG12 ILE 71 3.817 2.027 4.557 534 HG13 ILE 71 HG13 ILE 71 3.509 2.182 6.280 535 HG21 ILE 71 HG21 ILE 71 1.597 0.193 3.753 536 HG22 ILE 71 HG22 ILE 71 1.951 1.733 2.970 537 HG23 ILE 71 HG23 ILE 71 0.325 1.403 3.566 538 HD11 ILE 71 HD11 ILE 71 4.685 0.117 5.742 539 HD12 ILE 71 HD12 ILE 71 3.347 -0.371 4.700 540 HD13 ILE 71 HD13 ILE 71 3.096 -0.204 6.437 541 H TRP 72 H TRP 72 -0.832 2.890 6.185 542 HA TRP 72 HA TRP 72 -2.503 3.101 3.915 543 HB2 TRP 72 HB2 TRP 72 -3.210 1.843 5.853 544 HB3 TRP 72 HB3 TRP 72 -3.117 3.273 6.870 545 HD1 TRP 72 HD1 TRP 72 -4.881 3.268 3.430 546 HE1 TRP 72 HE1 TRP 72 -7.381 3.754 3.813 547 HE3 TRP 72 HE3 TRP 72 -4.944 3.149 8.541 548 HZ2 TRP 72 HZ2 TRP 72 -9.139 4.019 6.005 549 HZ3 TRP 72 HZ3 TRP 72 -7.078 3.513 9.702 550 HH2 TRP 72 HH2 TRP 72 -9.134 3.945 8.459 551 H ALA 73 H ALA 73 -1.636 5.389 6.470 552 HA ALA 73 HA ALA 73 -3.475 7.400 5.832 553 HB1 ALA 73 HB1 ALA 73 -0.748 7.703 7.079 554 HB2 ALA 73 HB2 ALA 73 -2.249 7.347 7.934 555 HB3 ALA 73 HB3 ALA 73 -2.047 8.898 7.119 556 H LEU 74 H LEU 74 -0.156 6.887 4.662 557 HA LEU 74 HA LEU 74 -0.167 9.264 3.057 558 HB2 LEU 74 HB2 LEU 74 1.690 6.938 3.373 559 HB3 LEU 74 HB3 LEU 74 1.893 8.037 2.032 560 HG LEU 74 HG LEU 74 1.985 9.893 3.839 561 HD11 LEU 74 HD11 LEU 74 2.847 9.165 5.996 562 HD12 LEU 74 HD12 LEU 74 2.583 7.484 5.532 563 HD13 LEU 74 HD13 LEU 74 1.209 8.575 5.712 564 HD21 LEU 74 HD21 LEU 74 4.190 7.869 3.522 565 HD22 LEU 74 HD22 LEU 74 4.389 9.507 4.148 566 HD23 LEU 74 HD23 LEU 74 3.872 9.258 2.480 567 H ALA 75 H ALA 75 -0.870 5.876 2.552 568 HA ALA 75 HA ALA 75 -0.805 6.010 -0.308 569 HB1 ALA 75 HB1 ALA 75 -1.655 3.739 -0.247 570 HB2 ALA 75 HB2 ALA 75 -1.982 3.893 1.478 571 HB3 ALA 75 HB3 ALA 75 -0.319 3.938 0.887 572 H ASP 76 H ASP 76 -3.403 5.990 2.125 573 HA ASP 76 HA ASP 76 -5.469 6.044 0.122 574 HB2 ASP 76 HB2 ASP 76 -5.683 5.131 2.522 575 HB3 ASP 76 HB3 ASP 76 -5.827 6.812 3.022 576 H MET 77 H MET 77 -4.606 7.794 -1.087 577 HA MET 77 HA MET 77 -4.108 10.358 -0.059 578 HB2 MET 77 HB2 MET 77 -4.797 9.492 -2.868 579 HB3 MET 77 HB3 MET 77 -4.174 11.077 -2.435 580 HG2 MET 77 HG2 MET 77 -2.105 10.105 -1.670 581 HG3 MET 77 HG3 MET 77 -2.730 8.481 -1.946 582 HE1 MET 77 HE1 MET 77 -3.118 7.416 -4.339 583 HE2 MET 77 HE2 MET 77 -3.010 8.341 -5.838 584 HE3 MET 77 HE3 MET 77 -4.260 8.722 -4.654 585 H ASN 78 H ASN 78 -7.040 8.840 -1.161 586 HA ASN 78 HA ASN 78 -8.501 11.346 -1.279 587 HB2 ASN 78 HB2 ASN 78 -8.968 9.448 -2.843 588 HB3 ASN 78 HB3 ASN 78 -9.543 8.508 -1.470 589 HD21 ASN 78 HD21 ASN 78 -11.603 8.296 -2.237 590 HD22 ASN 78 HD22 ASN 78 -12.723 9.612 -2.337 591 H ASN 79 H ASN 79 -7.530 9.170 1.063 592 HA ASN 79 HA ASN 79 -8.070 8.729 3.218 593 HB2 ASN 79 HB2 ASN 79 -7.944 11.338 3.167 594 HB3 ASN 79 HB3 ASN 79 -9.697 11.266 3.301 595 HD21 ASN 79 HD21 ASN 79 -9.728 8.906 4.995 596 HD22 ASN 79 HD22 ASN 79 -9.162 9.415 6.548 597 H ASP 80 H ASP 80 -9.513 7.326 1.549 598 HA ASP 80 HA ASP 80 -12.349 7.779 1.807 599 HB2 ASP 80 HB2 ASP 80 -11.327 6.777 -0.225 600 HB3 ASP 80 HB3 ASP 80 -10.868 5.372 0.728 601 H GLY 81 H GLY 81 -9.900 5.714 3.243 602 HA2 GLY 81 HA2 GLY 81 -10.021 4.867 5.438 603 HA3 GLY 81 HA3 GLY 81 -11.757 5.149 5.435 604 H ARG 82 H ARG 82 -11.004 3.764 2.587 605 HA ARG 82 HA ARG 82 -11.536 1.045 3.589 606 HB2 ARG 82 HB2 ARG 82 -12.491 2.478 1.124 607 HB3 ARG 82 HB3 ARG 82 -12.529 0.727 1.250 608 HG2 ARG 82 HG2 ARG 82 -14.054 0.812 3.073 609 HG3 ARG 82 HG3 ARG 82 -13.865 2.560 3.220 610 HD2 ARG 82 HD2 ARG 82 -15.972 1.867 2.105 611 HD3 ARG 82 HD3 ARG 82 -14.956 2.920 1.122 612 HE ARG 82 HE ARG 82 -14.407 1.063 -0.247 613 HH11 ARG 82 HH11 ARG 82 -16.719 0.258 2.246 614 HH12 ARG 82 HH12 ARG 82 -17.377 -1.101 1.384 615 HH21 ARG 82 HH21 ARG 82 -15.274 -0.678 -1.410 616 HH22 ARG 82 HH22 ARG 82 -16.592 -1.598 -0.736 617 H MET 83 H MET 83 -9.598 3.074 1.647 618 HA MET 83 HA MET 83 -7.803 2.797 0.299 619 HB2 MET 83 HB2 MET 83 -6.790 1.578 2.157 620 HB3 MET 83 HB3 MET 83 -7.606 0.100 1.662 621 HG2 MET 83 HG2 MET 83 -6.351 0.147 -0.455 622 HG3 MET 83 HG3 MET 83 -5.492 1.580 0.109 623 HE1 MET 83 HE1 MET 83 -5.033 0.963 3.170 624 HE2 MET 83 HE2 MET 83 -3.758 1.576 2.116 625 HE3 MET 83 HE3 MET 83 -3.455 0.173 3.140 626 H ASP 84 H ASP 84 -8.922 2.879 -1.611 627 HA ASP 84 HA ASP 84 -10.088 0.519 -2.774 628 HB2 ASP 84 HB2 ASP 84 -11.006 2.722 -3.290 629 HB3 ASP 84 HB3 ASP 84 -9.464 3.238 -3.957 630 H GLN 85 H GLN 85 -9.351 -0.222 -4.962 631 HA GLN 85 HA GLN 85 -6.826 -1.306 -4.881 632 HB2 GLN 85 HB2 GLN 85 -8.223 -0.668 -7.469 633 HB3 GLN 85 HB3 GLN 85 -7.187 -2.041 -7.095 634 HG2 GLN 85 HG2 GLN 85 -9.981 -1.521 -6.133 635 HG3 GLN 85 HG3 GLN 85 -9.397 -2.863 -7.117 636 HE21 GLN 85 HE21 GLN 85 -10.797 -2.701 -4.466 637 HE22 GLN 85 HE22 GLN 85 -9.819 -3.656 -3.403 638 H VAL 86 H VAL 86 -7.718 1.875 -6.025 639 HA VAL 86 HA VAL 86 -5.281 2.434 -7.383 640 HB VAL 86 HB VAL 86 -7.224 4.357 -6.085 641 HG11 VAL 86 HG11 VAL 86 -6.205 6.069 -7.505 642 HG12 VAL 86 HG12 VAL 86 -5.047 4.886 -8.111 643 HG13 VAL 86 HG13 VAL 86 -5.010 5.365 -6.414 644 HG21 VAL 86 HG21 VAL 86 -6.964 3.442 -8.948 645 HG22 VAL 86 HG22 VAL 86 -8.082 4.672 -8.358 646 HG23 VAL 86 HG23 VAL 86 -8.253 2.998 -7.830 647 H GLU 87 H GLU 87 -6.434 3.242 -4.102 648 HA GLU 87 HA GLU 87 -3.958 4.291 -3.213 649 HB2 GLU 87 HB2 GLU 87 -6.218 3.105 -1.587 650 HB3 GLU 87 HB3 GLU 87 -4.873 4.025 -0.931 651 HG2 GLU 87 HG2 GLU 87 -6.555 5.594 -1.032 652 HG3 GLU 87 HG3 GLU 87 -5.663 5.889 -2.524 653 H PHE 88 H PHE 88 -5.398 1.091 -3.150 654 HA PHE 88 HA PHE 88 -3.480 -0.246 -1.600 655 HB2 PHE 88 HB2 PHE 88 -5.599 -1.288 -2.174 656 HB3 PHE 88 HB3 PHE 88 -5.205 -1.235 -3.887 657 HD1 PHE 88 HD1 PHE 88 -4.196 -2.753 -0.659 658 HD2 PHE 88 HD2 PHE 88 -4.075 -3.004 -4.905 659 HE1 PHE 88 HE1 PHE 88 -3.241 -5.013 -0.497 660 HE2 PHE 88 HE2 PHE 88 -3.119 -5.265 -4.750 661 HZ PHE 88 HZ PHE 88 -2.702 -6.272 -2.542 662 H SER 89 H SER 89 -3.522 0.708 -4.955 663 HA SER 89 HA SER 89 -1.426 -0.842 -5.938 664 HB2 SER 89 HB2 SER 89 -2.936 0.473 -7.372 665 HB3 SER 89 HB3 SER 89 -2.225 1.962 -6.755 666 HG SER 89 HG SER 89 -0.849 1.739 -8.315 667 H ILE 90 H ILE 90 -1.393 2.291 -4.294 668 HA ILE 90 HA ILE 90 1.496 2.451 -4.554 669 HB ILE 90 HB ILE 90 0.170 4.476 -4.919 670 HG12 ILE 90 HG12 ILE 90 1.851 4.715 -2.420 671 HG13 ILE 90 HG13 ILE 90 2.498 4.623 -4.056 672 HG21 ILE 90 HG21 ILE 90 -0.588 4.239 -2.014 673 HG22 ILE 90 HG22 ILE 90 -1.667 4.044 -3.395 674 HG23 ILE 90 HG23 ILE 90 -0.939 5.615 -3.062 675 HD11 ILE 90 HD11 ILE 90 0.702 6.791 -2.987 676 HD12 ILE 90 HD12 ILE 90 1.356 6.702 -4.623 677 HD13 ILE 90 HD13 ILE 90 2.443 6.912 -3.250 678 H ALA 91 H ALA 91 -0.910 1.666 -2.144 679 HA ALA 91 HA ALA 91 0.704 1.888 0.160 680 HB1 ALA 91 HB1 ALA 91 -0.952 0.490 1.252 681 HB2 ALA 91 HB2 ALA 91 -1.609 0.007 -0.312 682 HB3 ALA 91 HB3 ALA 91 -1.747 1.681 0.223 683 H MET 92 H MET 92 0.218 -0.701 -2.165 684 HA MET 92 HA MET 92 1.577 -2.755 -0.792 685 HB2 MET 92 HB2 MET 92 0.108 -3.083 -2.778 686 HB3 MET 92 HB3 MET 92 1.346 -2.336 -3.780 687 HG2 MET 92 HG2 MET 92 2.838 -4.228 -2.676 688 HG3 MET 92 HG3 MET 92 1.269 -5.020 -2.530 689 HE1 MET 92 HE1 MET 92 4.132 -3.869 -4.849 690 HE2 MET 92 HE2 MET 92 2.914 -2.655 -5.243 691 HE3 MET 92 HE3 MET 92 3.384 -3.852 -6.448 692 H LYS 93 H LYS 93 2.656 -0.044 -2.649 693 HA LYS 93 HA LYS 93 5.281 -1.158 -3.143 694 HB2 LYS 93 HB2 LYS 93 3.706 0.565 -4.534 695 HB3 LYS 93 HB3 LYS 93 4.773 1.695 -3.711 696 HG2 LYS 93 HG2 LYS 93 5.853 -0.640 -5.246 697 HG3 LYS 93 HG3 LYS 93 5.443 0.883 -6.035 698 HD2 LYS 93 HD2 LYS 93 7.027 2.080 -4.708 699 HD3 LYS 93 HD3 LYS 93 7.309 0.672 -3.682 700 HE2 LYS 93 HE2 LYS 93 9.071 1.161 -5.431 701 HE3 LYS 93 HE3 LYS 93 8.432 -0.481 -5.396 702 HZ1 LYS 93 HZ1 LYS 93 7.252 1.530 -7.199 703 HZ2 LYS 93 HZ2 LYS 93 7.254 -0.166 -7.337 704 HZ3 LYS 93 HZ3 LYS 93 8.669 0.719 -7.636 705 H LEU 94 H LEU 94 3.735 1.117 -0.989 706 HA LEU 94 HA LEU 94 6.010 2.413 0.016 707 HB2 LEU 94 HB2 LEU 94 3.220 2.247 0.689 708 HB3 LEU 94 HB3 LEU 94 4.186 2.119 2.143 709 HG LEU 94 HG LEU 94 5.321 4.209 1.599 710 HD11 LEU 94 HD11 LEU 94 4.485 5.620 -0.226 711 HD12 LEU 94 HD12 LEU 94 3.425 4.309 -0.747 712 HD13 LEU 94 HD13 LEU 94 5.176 4.113 -0.825 713 HD21 LEU 94 HD21 LEU 94 3.321 4.251 2.996 714 HD22 LEU 94 HD22 LEU 94 2.310 4.421 1.560 715 HD23 LEU 94 HD23 LEU 94 3.431 5.707 2.007 716 H ILE 95 H ILE 95 4.459 -0.603 0.899 717 HA ILE 95 HA ILE 95 5.662 -1.100 3.337 718 HB ILE 95 HB ILE 95 4.935 -3.143 1.227 719 HG12 ILE 95 HG12 ILE 95 3.271 -2.049 3.509 720 HG13 ILE 95 HG13 ILE 95 3.088 -1.581 1.821 721 HG21 ILE 95 HG21 ILE 95 5.268 -3.420 4.212 722 HG22 ILE 95 HG22 ILE 95 6.314 -4.111 2.970 723 HG23 ILE 95 HG23 ILE 95 4.649 -4.674 3.137 724 HD11 ILE 95 HD11 ILE 95 1.417 -3.212 2.484 725 HD12 ILE 95 HD12 ILE 95 2.690 -4.345 2.937 726 HD13 ILE 95 HD13 ILE 95 2.489 -3.873 1.250 727 H LYS 96 H LYS 96 6.802 -1.854 0.090 728 HA LYS 96 HA LYS 96 9.023 -3.407 0.713 729 HB2 LYS 96 HB2 LYS 96 8.104 -3.149 -1.553 730 HB3 LYS 96 HB3 LYS 96 8.654 -1.481 -1.590 731 HG2 LYS 96 HG2 LYS 96 10.979 -2.271 -1.402 732 HG3 LYS 96 HG3 LYS 96 10.393 -3.934 -1.463 733 HD2 LYS 96 HD2 LYS 96 9.396 -3.476 -3.668 734 HD3 LYS 96 HD3 LYS 96 10.046 -1.838 -3.604 735 HE2 LYS 96 HE2 LYS 96 11.499 -3.196 -4.947 736 HE3 LYS 96 HE3 LYS 96 12.324 -2.798 -3.440 737 HZ1 LYS 96 HZ1 LYS 96 12.626 -5.119 -4.038 738 HZ2 LYS 96 HZ2 LYS 96 10.948 -5.368 -4.030 739 HZ3 LYS 96 HZ3 LYS 96 11.758 -4.987 -2.585 740 H LEU 97 H LEU 97 8.746 0.106 0.351 741 HA LEU 97 HA LEU 97 11.550 0.505 0.869 742 HB2 LEU 97 HB2 LEU 97 9.229 2.364 0.427 743 HB3 LEU 97 HB3 LEU 97 10.792 2.969 0.934 744 HG LEU 97 HG LEU 97 10.629 3.255 -1.424 745 HD11 LEU 97 HD11 LEU 97 12.504 1.920 -2.239 746 HD12 LEU 97 HD12 LEU 97 12.365 0.868 -0.830 747 HD13 LEU 97 HD13 LEU 97 12.806 2.562 -0.625 748 HD21 LEU 97 HD21 LEU 97 8.849 1.645 -1.869 749 HD22 LEU 97 HD22 LEU 97 9.986 0.318 -1.633 750 HD23 LEU 97 HD23 LEU 97 10.203 1.437 -2.980 751 H LYS 98 H LYS 98 8.544 0.710 2.689 752 HA LYS 98 HA LYS 98 9.561 2.065 4.942 753 HB2 LYS 98 HB2 LYS 98 7.239 0.203 4.556 754 HB3 LYS 98 HB3 LYS 98 7.657 0.805 6.152 755 HG2 LYS 98 HG2 LYS 98 7.333 2.779 3.962 756 HG3 LYS 98 HG3 LYS 98 5.887 2.006 4.606 757 HD2 LYS 98 HD2 LYS 98 6.037 3.874 5.946 758 HD3 LYS 98 HD3 LYS 98 6.897 2.686 6.919 759 HE2 LYS 98 HE2 LYS 98 8.387 4.436 5.005 760 HE3 LYS 98 HE3 LYS 98 7.902 5.061 6.575 761 HZ1 LYS 98 HZ1 LYS 98 9.142 3.275 7.633 762 HZ2 LYS 98 HZ2 LYS 98 10.150 4.187 6.619 763 HZ3 LYS 98 HZ3 LYS 98 9.601 2.668 6.121 764 H LEU 99 H LEU 99 9.452 -1.367 4.105 765 HA LEU 99 HA LEU 99 10.464 -2.337 6.559 766 HB2 LEU 99 HB2 LEU 99 10.490 -3.460 3.768 767 HB3 LEU 99 HB3 LEU 99 11.186 -4.324 5.125 768 HG LEU 99 HG LEU 99 8.294 -3.469 4.923 769 HD11 LEU 99 HD11 LEU 99 9.534 -6.195 4.560 770 HD12 LEU 99 HD12 LEU 99 8.885 -5.186 3.268 771 HD13 LEU 99 HD13 LEU 99 7.813 -5.814 4.520 772 HD21 LEU 99 HD21 LEU 99 9.115 -3.642 7.221 773 HD22 LEU 99 HD22 LEU 99 9.708 -5.270 6.891 774 HD23 LEU 99 HD23 LEU 99 7.977 -4.935 6.848 775 H GLN 100 H GLN 100 12.008 -0.921 3.771 776 HA GLN 100 HA GLN 100 14.652 -1.731 4.559 777 HB2 GLN 100 HB2 GLN 100 13.756 0.358 2.568 778 HB3 GLN 100 HB3 GLN 100 15.408 -0.212 2.764 779 HG2 GLN 100 HG2 GLN 100 14.639 -2.492 2.176 780 HG3 GLN 100 HG3 GLN 100 13.036 -1.828 1.867 781 HE21 GLN 100 HE21 GLN 100 14.845 -3.197 0.073 782 HE22 GLN 100 HE22 GLN 100 15.145 -2.108 -1.243 783 H GLY 101 H GLY 101 12.536 0.966 5.136 784 HA2 GLY 101 HA2 GLY 101 12.704 2.125 7.206 785 HA3 GLY 101 HA3 GLY 101 14.432 1.833 7.196 786 H TYR 102 H TYR 102 12.455 3.228 4.569 787 HA TYR 102 HA TYR 102 14.128 5.595 4.639 788 HB2 TYR 102 HB2 TYR 102 13.203 6.219 2.595 789 HB3 TYR 102 HB3 TYR 102 13.139 4.471 2.512 790 HD1 TYR 102 HD2 TYR 102 10.867 3.409 3.367 791 HD2 TYR 102 HD1 TYR 102 11.316 7.429 2.058 792 HE1 TYR 102 HE2 TYR 102 8.452 3.535 2.946 793 HE2 TYR 102 HE1 TYR 102 8.897 7.570 1.641 794 HH TYR 102 HH TYR 102 7.009 6.053 1.199 795 H GLN 103 H GLN 103 13.003 7.737 4.459 796 HA GLN 103 HA GLN 103 10.552 7.907 6.045 797 HB2 GLN 103 HB2 GLN 103 11.537 9.764 7.406 798 HB3 GLN 103 HB3 GLN 103 12.210 8.176 7.740 799 HG2 GLN 103 HG2 GLN 103 14.110 8.784 6.205 800 HG3 GLN 103 HG3 GLN 103 13.471 10.428 6.206 801 HE21 GLN 103 HE21 GLN 103 13.568 11.653 8.102 802 HE22 GLN 103 HE22 GLN 103 14.604 11.208 9.422 803 H LEU 104 H LEU 104 9.224 9.540 5.469 804 HA LEU 104 HA LEU 104 9.995 11.758 3.845 805 HB2 LEU 104 HB2 LEU 104 10.052 9.750 2.263 806 HB3 LEU 104 HB3 LEU 104 8.322 9.623 2.513 807 HG LEU 104 HG LEU 104 8.109 11.965 1.611 808 HD11 LEU 104 HD11 LEU 104 10.973 11.502 0.788 809 HD12 LEU 104 HD12 LEU 104 10.427 12.659 2.002 810 HD13 LEU 104 HD13 LEU 104 9.955 12.864 0.315 811 HD21 LEU 104 HD21 LEU 104 7.602 10.001 0.259 812 HD22 LEU 104 HD22 LEU 104 9.297 9.875 -0.212 813 HD23 LEU 104 HD23 LEU 104 8.342 11.267 -0.719 814 HA PRO 105 HA PRO 105 6.136 13.199 5.635 815 HB2 PRO 105 HB2 PRO 105 5.820 14.754 3.128 816 HB3 PRO 105 HB3 PRO 105 5.831 15.312 4.804 817 HG2 PRO 105 HG2 PRO 105 7.918 15.750 3.203 818 HG3 PRO 105 HG3 PRO 105 8.144 15.352 4.916 819 HD2 PRO 105 HD2 PRO 105 8.475 13.620 2.503 820 HD3 PRO 105 HD3 PRO 105 9.446 13.684 3.988 821 H SER 106 H SER 106 3.811 13.533 4.983 822 HA SER 106 HA SER 106 2.864 11.055 4.011 823 HB2 SER 106 HB2 SER 106 1.280 13.580 4.531 824 HB3 SER 106 HB3 SER 106 0.656 11.932 4.480 825 HG SER 106 HG SER 106 1.049 11.930 6.542 826 H ALA 107 H ALA 107 3.659 13.981 2.482 827 HA ALA 107 HA ALA 107 1.946 13.489 0.203 828 HB1 ALA 107 HB1 ALA 107 2.824 15.574 -0.694 829 HB2 ALA 107 HB2 ALA 107 4.001 15.658 0.616 830 HB3 ALA 107 HB3 ALA 107 2.278 15.797 0.968 831 H LEU 108 H LEU 108 2.563 11.872 -1.041 832 HA LEU 108 HA LEU 108 5.376 11.261 -1.426 833 HB2 LEU 108 HB2 LEU 108 2.873 9.887 -2.410 834 HB3 LEU 108 HB3 LEU 108 4.504 9.273 -2.608 835 HG LEU 108 HG LEU 108 3.179 9.746 0.063 836 HD11 LEU 108 HD11 LEU 108 3.616 7.171 -1.435 837 HD12 LEU 108 HD12 LEU 108 2.064 7.968 -1.179 838 HD13 LEU 108 HD13 LEU 108 2.963 7.328 0.197 839 HD21 LEU 108 HD21 LEU 108 5.605 9.899 0.141 840 HD22 LEU 108 HD22 LEU 108 5.742 8.347 -0.686 841 HD23 LEU 108 HD23 LEU 108 5.046 8.423 0.933 842 HA PRO 109 HA PRO 109 6.004 13.191 -5.316 843 HB2 PRO 109 HB2 PRO 109 6.903 10.595 -6.442 844 HB3 PRO 109 HB3 PRO 109 7.762 12.136 -6.341 845 HG2 PRO 109 HG2 PRO 109 8.404 10.111 -4.734 846 HG3 PRO 109 HG3 PRO 109 8.406 11.784 -4.143 847 HD2 PRO 109 HD2 PRO 109 6.385 9.623 -3.711 848 HD3 PRO 109 HD3 PRO 109 6.982 10.852 -2.576 849 HA PRO 110 HA PRO 110 2.486 12.441 -7.844 850 HB2 PRO 110 HB2 PRO 110 3.900 13.666 -10.102 851 HB3 PRO 110 HB3 PRO 110 2.492 14.247 -9.213 852 HG2 PRO 110 HG2 PRO 110 4.901 15.429 -8.997 853 HG3 PRO 110 HG3 PRO 110 3.772 15.333 -7.630 854 HD2 PRO 110 HD2 PRO 110 6.186 13.655 -8.221 855 HD3 PRO 110 HD3 PRO 110 5.642 14.339 -6.673 856 H VAL 111 H VAL 111 5.509 11.122 -8.591 857 HA VAL 111 HA VAL 111 4.949 9.961 -11.123 858 HB VAL 111 HB VAL 111 6.954 9.015 -9.061 859 HG11 VAL 111 HG11 VAL 111 8.161 8.112 -11.000 860 HG12 VAL 111 HG12 VAL 111 6.839 8.624 -12.050 861 HG13 VAL 111 HG13 VAL 111 6.563 7.388 -10.821 862 HG21 VAL 111 HG21 VAL 111 7.291 11.036 -11.275 863 HG22 VAL 111 HG22 VAL 111 8.581 10.416 -10.244 864 HG23 VAL 111 HG23 VAL 111 7.279 11.379 -9.545 865 H MET 112 H MET 112 4.369 8.950 -7.822 866 HA MET 112 HA MET 112 3.873 6.207 -8.586 867 HB2 MET 112 HB2 MET 112 3.454 7.579 -5.930 868 HB3 MET 112 HB3 MET 112 3.347 5.848 -6.218 869 HG2 MET 112 HG2 MET 112 5.735 5.940 -6.986 870 HG3 MET 112 HG3 MET 112 5.782 7.596 -6.383 871 HE1 MET 112 HE1 MET 112 5.173 3.835 -3.791 872 HE2 MET 112 HE2 MET 112 5.524 3.817 -5.520 873 HE3 MET 112 HE3 MET 112 3.963 4.401 -4.942 874 H LYS 113 H LYS 113 2.042 9.078 -8.318 875 HA LYS 113 HA LYS 113 -0.449 7.542 -8.151 876 HB2 LYS 113 HB2 LYS 113 -1.533 9.570 -7.365 877 HB3 LYS 113 HB3 LYS 113 -0.138 9.204 -6.365 878 HG2 LYS 113 HG2 LYS 113 0.345 11.372 -6.623 879 HG3 LYS 113 HG3 LYS 113 0.945 10.886 -8.211 880 HD2 LYS 113 HD2 LYS 113 -1.307 11.328 -9.145 881 HD3 LYS 113 HD3 LYS 113 -1.809 11.929 -7.564 882 HE2 LYS 113 HE2 LYS 113 -0.203 13.712 -7.672 883 HE3 LYS 113 HE3 LYS 113 0.482 13.063 -9.161 884 HZ1 LYS 113 HZ1 LYS 113 -1.015 14.942 -9.548 885 HZ2 LYS 113 HZ2 LYS 113 -2.300 14.066 -8.870 886 HZ3 LYS 113 HZ3 LYS 113 -1.570 13.530 -10.301 887 H GLN 114 H GLN 114 1.419 9.698 -10.099 888 HA GLN 114 HA GLN 114 1.276 10.377 -12.247 889 HB2 GLN 114 HB2 GLN 114 -0.606 8.028 -12.362 890 HB3 GLN 114 HB3 GLN 114 -0.099 8.933 -13.777 891 HG2 GLN 114 HG2 GLN 114 1.826 7.589 -11.910 892 HG3 GLN 114 HG3 GLN 114 1.151 6.810 -13.337 893 HE21 GLN 114 HE21 GLN 114 3.377 9.150 -12.145 894 HE22 GLN 114 HE22 GLN 114 4.156 9.497 -13.651 895 H GLN 115 H GLN 115 -0.806 10.510 -14.074 896 HA GLN 115 HA GLN 115 -2.407 12.632 -12.999 897 HB2 GLN 115 HB2 GLN 115 -2.088 11.370 -15.713 898 HB3 GLN 115 HB3 GLN 115 -3.308 12.575 -15.388 899 HG2 GLN 115 HG2 GLN 115 -1.471 13.696 -16.365 900 HG3 GLN 115 HG3 GLN 115 -1.488 14.121 -14.657 901 HE21 GLN 115 HE21 GLN 115 0.688 14.670 -14.668 902 HE22 GLN 115 HE22 GLN 115 1.944 13.470 -14.747 903 HA PRO 116 HA PRO 116 -5.979 10.215 -11.964 904 HB2 PRO 116 HB2 PRO 116 -7.941 11.976 -12.800 905 HB3 PRO 116 HB3 PRO 116 -7.123 12.045 -11.237 906 HG2 PRO 116 HG2 PRO 116 -6.609 13.615 -13.723 907 HG3 PRO 116 HG3 PRO 116 -6.552 14.139 -12.031 908 HD2 PRO 116 HD2 PRO 116 -4.319 13.631 -13.444 909 HD3 PRO 116 HD3 PRO 116 -4.427 13.280 -11.707 910 H VAL 117 H VAL 117 -7.251 8.738 -12.965 911 HA VAL 117 HA VAL 117 -6.859 8.289 -15.740 912 HB VAL 117 HB VAL 117 -9.053 7.040 -14.105 913 HG11 VAL 117 HG11 VAL 117 -7.452 6.031 -16.447 914 HG12 VAL 117 HG12 VAL 117 -9.125 6.586 -16.490 915 HG13 VAL 117 HG13 VAL 117 -8.703 5.126 -15.594 916 HG21 VAL 117 HG21 VAL 117 -6.150 6.230 -14.221 917 HG22 VAL 117 HG22 VAL 117 -7.441 5.271 -13.498 918 HG23 VAL 117 HG23 VAL 117 -7.012 6.837 -12.807 919 H ALA 118 H ALA 118 -8.158 8.593 -17.448 920 HA ALA 118 HA ALA 118 -9.623 9.643 -18.810 921 HB1 ALA 118 HB1 ALA 118 -11.948 9.812 -18.138 922 HB2 ALA 118 HB2 ALA 118 -11.502 9.527 -16.455 923 HB3 ALA 118 HB3 ALA 118 -11.279 8.253 -17.654 924 H ILE 119 H ILE 119 -8.518 11.533 -19.089 925 HA ILE 119 HA ILE 119 -8.961 13.727 -17.216 926 HB ILE 119 HB ILE 119 -7.230 13.642 -19.702 927 HG12 ILE 119 HG12 ILE 119 -5.401 13.821 -17.832 928 HG13 ILE 119 HG13 ILE 119 -6.651 13.134 -16.802 929 HG21 ILE 119 HG21 ILE 119 -6.248 15.720 -18.855 930 HG22 ILE 119 HG22 ILE 119 -7.407 15.721 -17.524 931 HG23 ILE 119 HG23 ILE 119 -7.970 15.897 -19.186 932 HD11 ILE 119 HD11 ILE 119 -6.800 11.197 -18.279 933 HD12 ILE 119 HD12 ILE 119 -5.167 11.417 -17.650 934 HD13 ILE 119 HD13 ILE 119 -5.545 11.885 -19.307 935 H SER 120 H SER 120 -9.370 12.957 -20.652 936 HA SER 120 HA SER 120 -10.980 15.345 -21.043 937 HB2 SER 120 HB2 SER 120 -10.276 13.171 -23.033 938 HB3 SER 120 HB3 SER 120 -10.935 14.766 -23.399 939 HG SER 120 HG SER 120 -8.950 15.540 -22.235 940 H SER 121 H SER 121 -12.775 14.927 -19.798 941 HA SER 121 HA SER 121 -14.880 14.254 -19.350 942 HB2 SER 121 HB2 SER 121 -14.835 13.095 -22.146 943 HB3 SER 121 HB3 SER 121 -16.266 13.506 -21.197 944 HG SER 121 HG SER 121 -14.514 15.590 -21.399 Start of MODEL 20 1 H1 MET 1 H1 MET 1 12.687 -10.023 -54.024 2 H2 MET 1 H2 MET 1 12.898 -8.948 -52.736 3 H3 MET 1 H3 MET 1 12.213 -10.471 -52.458 4 HA MET 1 HA MET 1 14.448 -10.516 -51.699 5 HB2 MET 1 HB2 MET 1 13.950 -11.976 -54.286 6 HB3 MET 1 HB3 MET 1 15.451 -12.180 -53.397 7 HG2 MET 1 HG2 MET 1 14.054 -13.971 -52.791 8 HG3 MET 1 HG3 MET 1 14.074 -12.865 -51.421 9 HE1 MET 1 HE1 MET 1 12.021 -14.302 -54.420 10 HE2 MET 1 HE2 MET 1 12.056 -12.585 -54.825 11 HE3 MET 1 HE3 MET 1 10.539 -13.348 -54.353 12 H GLY 2 H GLY 2 16.630 -10.062 -51.953 13 HA2 GLY 2 HA2 GLY 2 17.217 -7.866 -53.724 14 HA3 GLY 2 HA3 GLY 2 18.307 -8.582 -52.548 15 H HIS 3 H HIS 3 19.961 -8.375 -54.178 16 HA HIS 3 HA HIS 3 19.930 -10.629 -56.054 17 HB2 HIS 3 HB2 HIS 3 20.704 -7.798 -56.805 18 HB3 HIS 3 HB3 HIS 3 20.985 -9.214 -57.812 19 HD1 HIS 3 HD1 HIS 3 18.967 -10.186 -59.079 20 HD2 HIS 3 HD2 HIS 3 18.052 -6.892 -56.708 21 HE1 HIS 3 HE1 HIS 3 16.655 -9.467 -59.770 22 HE2 HIS 3 HE2 HIS 3 16.059 -7.580 -58.209 23 H HIS 4 H HIS 4 22.143 -7.911 -55.425 24 HA HIS 4 HA HIS 4 24.124 -9.826 -54.410 25 HB2 HIS 4 HB2 HIS 4 24.519 -9.476 -56.854 26 HB3 HIS 4 HB3 HIS 4 24.748 -7.762 -56.535 27 HD1 HIS 4 HD1 HIS 4 26.370 -11.107 -55.940 28 HD2 HIS 4 HD2 HIS 4 27.264 -7.059 -55.605 29 HE1 HIS 4 HE1 HIS 4 28.834 -10.995 -55.466 30 HE2 HIS 4 HE2 HIS 4 29.388 -8.539 -55.454 31 H HIS 5 H HIS 5 22.655 -6.759 -54.329 32 HA HIS 5 HA HIS 5 24.777 -5.435 -52.891 33 HB2 HIS 5 HB2 HIS 5 23.160 -4.246 -54.397 34 HB3 HIS 5 HB3 HIS 5 21.890 -4.591 -53.231 35 HD1 HIS 5 HD1 HIS 5 21.415 -2.698 -51.754 36 HD2 HIS 5 HD2 HIS 5 25.392 -2.736 -52.975 37 HE1 HIS 5 HE1 HIS 5 22.455 -0.634 -50.752 38 HE2 HIS 5 HE2 HIS 5 24.818 -0.595 -51.633 39 H HIS 6 H HIS 6 25.221 -6.279 -50.932 40 HA HIS 6 HA HIS 6 22.948 -6.770 -49.118 41 HB2 HIS 6 HB2 HIS 6 24.287 -8.588 -48.070 42 HB3 HIS 6 HB3 HIS 6 23.845 -8.918 -49.739 43 HD1 HIS 6 HD1 HIS 6 26.746 -8.674 -47.484 44 HD2 HIS 6 HD2 HIS 6 26.046 -8.678 -51.588 45 HE1 HIS 6 HE1 HIS 6 28.979 -9.110 -48.560 46 HE2 HIS 6 HE2 HIS 6 28.530 -9.138 -51.042 47 H HIS 7 H HIS 7 23.382 -6.519 -46.851 48 HA HIS 7 HA HIS 7 25.536 -4.571 -46.318 49 HB2 HIS 7 HB2 HIS 7 22.709 -4.666 -45.258 50 HB3 HIS 7 HB3 HIS 7 23.972 -3.695 -44.515 51 HD1 HIS 7 HD1 HIS 7 24.365 -1.423 -45.475 52 HD2 HIS 7 HD2 HIS 7 22.013 -3.811 -47.932 53 HE1 HIS 7 HE1 HIS 7 23.542 0.090 -47.303 54 HE2 HIS 7 HE2 HIS 7 21.902 -1.316 -48.597 55 H HIS 8 H HIS 8 25.743 -4.384 -43.774 56 HA HIS 8 HA HIS 8 26.127 -7.093 -42.738 57 HB2 HIS 8 HB2 HIS 8 27.068 -4.376 -41.823 58 HB3 HIS 8 HB3 HIS 8 27.230 -5.813 -40.813 59 HD1 HIS 8 HD1 HIS 8 29.247 -3.876 -42.870 60 HD2 HIS 8 HD2 HIS 8 28.528 -7.968 -42.658 61 HE1 HIS 8 HE1 HIS 8 31.227 -4.974 -43.977 62 HE2 HIS 8 HE2 HIS 8 30.717 -7.443 -43.944 63 H SER 9 H SER 9 25.372 -7.599 -40.551 64 HA SER 9 HA SER 9 23.187 -6.009 -39.525 65 HB2 SER 9 HB2 SER 9 22.685 -8.764 -40.675 66 HB3 SER 9 HB3 SER 9 21.519 -7.833 -39.733 67 HG SER 9 HG SER 9 22.543 -6.378 -41.789 68 H HIS 10 H HIS 10 23.589 -5.995 -37.442 69 HA HIS 10 HA HIS 10 24.295 -8.532 -36.109 70 HB2 HIS 10 HB2 HIS 10 24.822 -5.670 -35.288 71 HB3 HIS 10 HB3 HIS 10 25.052 -7.042 -34.211 72 HD1 HIS 10 HD1 HIS 10 26.989 -4.894 -36.136 73 HD2 HIS 10 HD2 HIS 10 26.861 -9.039 -35.775 74 HE1 HIS 10 HE1 HIS 10 29.242 -5.713 -36.896 75 HE2 HIS 10 HE2 HIS 10 29.060 -8.229 -36.882 76 H MET 11 H MET 11 22.984 -9.303 -34.553 77 HA MET 11 HA MET 11 20.865 -7.585 -33.500 78 HB2 MET 11 HB2 MET 11 20.427 -10.264 -34.821 79 HB3 MET 11 HB3 MET 11 19.263 -9.555 -33.710 80 HG2 MET 11 HG2 MET 11 18.991 -7.644 -35.182 81 HG3 MET 11 HG3 MET 11 20.208 -8.297 -36.279 82 HE1 MET 11 HE1 MET 11 16.768 -8.643 -38.194 83 HE2 MET 11 HE2 MET 11 18.401 -7.984 -38.279 84 HE3 MET 11 HE3 MET 11 17.259 -7.361 -37.089 85 H ALA 12 H ALA 12 22.568 -7.692 -31.814 86 HA ALA 12 HA ALA 12 22.140 -10.066 -30.121 87 HB1 ALA 12 HB1 ALA 12 24.491 -8.170 -30.120 88 HB2 ALA 12 HB2 ALA 12 24.480 -9.812 -30.762 89 HB3 ALA 12 HB3 ALA 12 24.274 -9.542 -29.032 90 H GLN 13 H GLN 13 20.105 -8.914 -29.601 91 HA GLN 13 HA GLN 13 20.450 -6.568 -27.892 92 HB2 GLN 13 HB2 GLN 13 18.145 -7.807 -29.327 93 HB3 GLN 13 HB3 GLN 13 17.815 -6.850 -27.890 94 HG2 GLN 13 HG2 GLN 13 17.613 -5.566 -29.976 95 HG3 GLN 13 HG3 GLN 13 18.828 -4.910 -28.882 96 HE21 GLN 13 HE21 GLN 13 20.973 -4.937 -29.484 97 HE22 GLN 13 HE22 GLN 13 21.488 -5.323 -31.088 98 H PHE 14 H PHE 14 20.946 -7.006 -25.877 99 HA PHE 14 HA PHE 14 19.467 -9.166 -24.517 100 HB2 PHE 14 HB2 PHE 14 22.312 -8.247 -24.046 101 HB3 PHE 14 HB3 PHE 14 21.454 -9.390 -23.022 102 HD1 PHE 14 HD1 PHE 14 20.861 -11.616 -23.887 103 HD2 PHE 14 HD2 PHE 14 23.248 -8.902 -26.127 104 HE1 PHE 14 HE1 PHE 14 21.589 -13.464 -25.332 105 HE2 PHE 14 HE2 PHE 14 23.988 -10.750 -27.577 106 HZ PHE 14 HZ PHE 14 23.155 -13.031 -27.181 107 HA PRO 15 HA PRO 15 18.322 -5.571 -22.039 108 HB2 PRO 15 HB2 PRO 15 15.999 -6.956 -21.179 109 HB3 PRO 15 HB3 PRO 15 16.091 -5.677 -22.390 110 HG2 PRO 15 HG2 PRO 15 15.451 -8.352 -22.860 111 HG3 PRO 15 HG3 PRO 15 15.879 -7.152 -24.086 112 HD2 PRO 15 HD2 PRO 15 17.529 -9.310 -22.880 113 HD3 PRO 15 HD3 PRO 15 17.614 -8.589 -24.501 114 H THR 16 H THR 16 19.927 -5.867 -20.548 115 HA THR 16 HA THR 16 19.657 -8.046 -18.616 116 HB THR 16 HB THR 16 21.851 -7.924 -19.565 117 HG1 THR 16 HG1 THR 16 22.588 -6.676 -17.227 118 HG21 THR 16 HG21 THR 16 21.809 -5.623 -20.373 119 HG22 THR 16 HG22 THR 16 23.266 -5.925 -19.428 120 HG23 THR 16 HG23 THR 16 21.925 -5.029 -18.717 121 HA PRO 17 HA PRO 17 17.984 -5.218 -15.619 122 HB2 PRO 17 HB2 PRO 17 18.744 -7.246 -13.637 123 HB3 PRO 17 HB3 PRO 17 17.140 -6.649 -14.068 124 HG2 PRO 17 HG2 PRO 17 17.987 -9.125 -14.720 125 HG3 PRO 17 HG3 PRO 17 16.865 -8.202 -15.737 126 HD2 PRO 17 HD2 PRO 17 19.800 -8.665 -16.081 127 HD3 PRO 17 HD3 PRO 17 18.512 -8.598 -17.294 128 H PHE 18 H PHE 18 18.647 -4.301 -13.551 129 HA PHE 18 HA PHE 18 20.093 -3.198 -12.196 130 HB2 PHE 18 HB2 PHE 18 21.977 -5.413 -13.029 131 HB3 PHE 18 HB3 PHE 18 22.406 -4.169 -11.859 132 HD1 PHE 18 HD2 PHE 18 21.129 -4.006 -9.724 133 HD2 PHE 18 HD1 PHE 18 20.653 -7.264 -12.420 134 HE1 PHE 18 HE2 PHE 18 20.108 -5.337 -7.926 135 HE2 PHE 18 HE1 PHE 18 19.623 -8.601 -10.628 136 HZ PHE 18 HZ PHE 18 19.355 -7.639 -8.378 137 H GLY 19 H GLY 19 22.917 -2.786 -12.570 138 HA2 GLY 19 HA2 GLY 19 24.350 -1.449 -13.845 139 HA3 GLY 19 HA3 GLY 19 23.112 -1.355 -15.098 140 H GLY 20 H GLY 20 22.990 -0.665 -11.644 141 HA2 GLY 20 HA2 GLY 20 22.844 1.633 -10.811 142 HA3 GLY 20 HA3 GLY 20 22.006 2.040 -12.305 143 H SER 21 H SER 21 21.141 2.318 -9.479 144 HA SER 21 HA SER 21 18.936 0.388 -9.345 145 HB2 SER 21 HB2 SER 21 19.715 2.463 -7.280 146 HB3 SER 21 HB3 SER 21 18.667 1.062 -7.052 147 HG SER 21 HG SER 21 21.440 1.216 -7.154 148 H LEU 22 H LEU 22 17.642 1.208 -10.992 149 HA LEU 22 HA LEU 22 16.689 3.969 -10.648 150 HB2 LEU 22 HB2 LEU 22 17.972 3.466 -12.726 151 HB3 LEU 22 HB3 LEU 22 16.730 2.314 -13.172 152 HG LEU 22 HG LEU 22 15.081 4.178 -13.216 153 HD11 LEU 22 HD11 LEU 22 17.528 5.905 -12.858 154 HD12 LEU 22 HD12 LEU 22 16.235 5.688 -11.681 155 HD13 LEU 22 HD13 LEU 22 15.899 6.475 -13.223 156 HD21 LEU 22 HD21 LEU 22 17.490 4.510 -14.999 157 HD22 LEU 22 HD22 LEU 22 15.871 5.131 -15.323 158 HD23 LEU 22 HD23 LEU 22 16.152 3.391 -15.258 159 H ASP 23 H ASP 23 14.505 4.417 -10.987 160 HA ASP 23 HA ASP 23 12.315 4.174 -10.640 161 HB2 ASP 23 HB2 ASP 23 12.676 1.703 -12.332 162 HB3 ASP 23 HB3 ASP 23 11.181 2.574 -12.043 163 H THR 24 H THR 24 12.435 3.851 -8.432 164 HA THR 24 HA THR 24 11.870 1.084 -7.574 165 HB THR 24 HB THR 24 12.886 3.344 -5.832 166 HG1 THR 24 HG1 THR 24 14.281 1.215 -7.131 167 HG21 THR 24 HG21 THR 24 12.707 0.363 -5.369 168 HG22 THR 24 HG22 THR 24 11.688 1.593 -4.619 169 HG23 THR 24 HG23 THR 24 13.414 1.533 -4.255 170 H TRP 25 H TRP 25 11.097 4.501 -6.989 171 HA TRP 25 HA TRP 25 8.625 3.820 -5.648 172 HB2 TRP 25 HB2 TRP 25 9.769 6.491 -6.499 173 HB3 TRP 25 HB3 TRP 25 8.309 6.281 -5.541 174 HD1 TRP 25 HD1 TRP 25 12.095 6.251 -5.268 175 HE1 TRP 25 HE1 TRP 25 12.761 6.086 -2.785 176 HE3 TRP 25 HE3 TRP 25 7.491 5.294 -3.250 177 HZ2 TRP 25 HZ2 TRP 25 11.496 5.603 -0.298 178 HZ3 TRP 25 HZ3 TRP 25 7.305 4.992 -0.818 179 HH2 TRP 25 HH2 TRP 25 9.266 5.143 0.629 180 H ALA 26 H ALA 26 9.742 4.648 -8.802 181 HA ALA 26 HA ALA 26 7.367 5.562 -9.982 182 HB1 ALA 26 HB1 ALA 26 9.564 5.788 -11.037 183 HB2 ALA 26 HB2 ALA 26 8.415 4.991 -12.112 184 HB3 ALA 26 HB3 ALA 26 9.638 4.040 -11.269 185 H ILE 27 H ILE 27 5.767 4.510 -11.170 186 HA ILE 27 HA ILE 27 5.501 1.650 -10.556 187 HB ILE 27 HB ILE 27 3.325 3.560 -11.420 188 HG12 ILE 27 HG12 ILE 27 3.991 2.480 -8.669 189 HG13 ILE 27 HG13 ILE 27 4.186 4.147 -9.200 190 HG21 ILE 27 HG21 ILE 27 3.184 0.745 -10.348 191 HG22 ILE 27 HG22 ILE 27 2.890 1.233 -12.016 192 HG23 ILE 27 HG23 ILE 27 1.803 1.770 -10.736 193 HD11 ILE 27 HD11 ILE 27 1.772 4.341 -9.481 194 HD12 ILE 27 HD12 ILE 27 2.197 3.880 -7.834 195 HD13 ILE 27 HD13 ILE 27 1.577 2.669 -8.955 196 H THR 28 H THR 28 6.688 0.808 -12.224 197 HA THR 28 HA THR 28 6.100 1.421 -14.971 198 HB THR 28 HB THR 28 7.537 -1.084 -14.223 199 HG1 THR 28 HG1 THR 28 9.201 1.069 -14.103 200 HG21 THR 28 HG21 THR 28 8.131 1.174 -16.147 201 HG22 THR 28 HG22 THR 28 7.382 -0.367 -16.565 202 HG23 THR 28 HG23 THR 28 9.054 -0.322 -16.004 203 H VAL 29 H VAL 29 5.762 -0.821 -16.343 204 HA VAL 29 HA VAL 29 3.101 -1.565 -15.899 205 HB VAL 29 HB VAL 29 5.158 -3.136 -17.461 206 HG11 VAL 29 HG11 VAL 29 2.151 -3.044 -17.697 207 HG12 VAL 29 HG12 VAL 29 3.098 -4.378 -17.038 208 HG13 VAL 29 HG13 VAL 29 3.243 -3.950 -18.743 209 HG21 VAL 29 HG21 VAL 29 3.351 -0.904 -18.383 210 HG22 VAL 29 HG22 VAL 29 4.412 -1.868 -19.410 211 HG23 VAL 29 HG23 VAL 29 5.103 -0.806 -18.182 212 H GLU 30 H GLU 30 6.120 -3.264 -15.143 213 HA GLU 30 HA GLU 30 4.994 -5.584 -14.048 214 HB2 GLU 30 HB2 GLU 30 7.375 -5.317 -14.659 215 HB3 GLU 30 HB3 GLU 30 7.585 -4.211 -13.309 216 HG2 GLU 30 HG2 GLU 30 7.125 -5.978 -11.735 217 HG3 GLU 30 HG3 GLU 30 6.771 -7.096 -13.053 218 H GLU 31 H GLU 31 5.848 -2.495 -12.543 219 HA GLU 31 HA GLU 31 5.143 -3.273 -9.905 220 HB2 GLU 31 HB2 GLU 31 5.339 -0.519 -11.132 221 HB3 GLU 31 HB3 GLU 31 5.144 -0.840 -9.417 222 HG2 GLU 31 HG2 GLU 31 7.471 -1.778 -11.075 223 HG3 GLU 31 HG3 GLU 31 7.470 -0.337 -10.062 224 H ARG 32 H ARG 32 3.380 -1.890 -12.595 225 HA ARG 32 HA ARG 32 0.997 -1.273 -11.206 226 HB2 ARG 32 HB2 ARG 32 1.493 -0.413 -13.454 227 HB3 ARG 32 HB3 ARG 32 1.399 -2.042 -14.107 228 HG2 ARG 32 HG2 ARG 32 -0.634 -0.823 -14.585 229 HG3 ARG 32 HG3 ARG 32 -0.963 -2.155 -13.478 230 HD2 ARG 32 HD2 ARG 32 -2.174 -0.236 -12.714 231 HD3 ARG 32 HD3 ARG 32 -0.847 -0.526 -11.590 232 HE ARG 32 HE ARG 32 -0.148 1.349 -13.642 233 HH11 ARG 32 HH11 ARG 32 -1.778 0.987 -10.565 234 HH12 ARG 32 HH12 ARG 32 -1.641 2.668 -10.143 235 HH21 ARG 32 HH21 ARG 32 0.068 3.563 -13.072 236 HH22 ARG 32 HH22 ARG 32 -0.555 4.127 -11.551 237 H ALA 33 H ALA 33 1.967 -4.118 -13.097 238 HA ALA 33 HA ALA 33 -0.362 -5.634 -12.578 239 HB1 ALA 33 HB1 ALA 33 1.157 -6.082 -14.447 240 HB2 ALA 33 HB2 ALA 33 0.886 -7.517 -13.460 241 HB3 ALA 33 HB3 ALA 33 2.393 -6.613 -13.306 242 H LYS 34 H LYS 34 2.463 -5.024 -10.742 243 HA LYS 34 HA LYS 34 2.722 -7.281 -9.151 244 HB2 LYS 34 HB2 LYS 34 4.274 -5.304 -9.327 245 HB3 LYS 34 HB3 LYS 34 3.180 -4.426 -8.273 246 HG2 LYS 34 HG2 LYS 34 5.054 -5.275 -7.021 247 HG3 LYS 34 HG3 LYS 34 3.567 -6.076 -6.504 248 HD2 LYS 34 HD2 LYS 34 4.167 -8.087 -7.448 249 HD3 LYS 34 HD3 LYS 34 5.227 -7.329 -8.638 250 HE2 LYS 34 HE2 LYS 34 5.797 -7.449 -5.679 251 HE3 LYS 34 HE3 LYS 34 6.436 -8.594 -6.859 252 HZ1 LYS 34 HZ1 LYS 34 8.046 -6.865 -6.394 253 HZ2 LYS 34 HZ2 LYS 34 6.934 -5.660 -6.820 254 HZ3 LYS 34 HZ3 LYS 34 7.514 -6.732 -7.996 255 H HIS 35 H HIS 35 0.349 -4.744 -9.011 256 HA HIS 35 HA HIS 35 -0.412 -4.964 -6.314 257 HB2 HIS 35 HB2 HIS 35 -2.236 -3.622 -6.815 258 HB3 HIS 35 HB3 HIS 35 -1.102 -3.179 -8.074 259 HD1 HIS 35 HD1 HIS 35 -1.748 -3.825 -10.518 260 HD2 HIS 35 HD2 HIS 35 -4.580 -4.893 -7.661 261 HE1 HIS 35 HE1 HIS 35 -3.823 -4.419 -11.805 262 HE2 HIS 35 HE2 HIS 35 -5.469 -5.221 -10.073 263 H ASP 36 H ASP 36 -1.243 -6.846 -9.109 264 HA ASP 36 HA ASP 36 -3.601 -8.059 -8.207 265 HB2 ASP 36 HB2 ASP 36 -2.997 -8.171 -10.532 266 HB3 ASP 36 HB3 ASP 36 -1.506 -9.024 -10.155 267 H GLN 37 H GLN 37 -0.250 -9.206 -8.032 268 HA GLN 37 HA GLN 37 -0.787 -11.695 -6.877 269 HB2 GLN 37 HB2 GLN 37 1.362 -11.115 -7.917 270 HB3 GLN 37 HB3 GLN 37 1.689 -9.981 -6.615 271 HG2 GLN 37 HG2 GLN 37 1.711 -11.823 -5.013 272 HG3 GLN 37 HG3 GLN 37 1.397 -12.962 -6.324 273 HE21 GLN 37 HE21 GLN 37 3.040 -13.447 -7.782 274 HE22 GLN 37 HE22 GLN 37 4.697 -13.029 -7.475 275 H GLN 38 H GLN 38 -0.221 -8.539 -5.390 276 HA GLN 38 HA GLN 38 -0.154 -9.588 -2.719 277 HB2 GLN 38 HB2 GLN 38 -0.521 -6.736 -3.657 278 HB3 GLN 38 HB3 GLN 38 -0.165 -7.234 -2.011 279 HG2 GLN 38 HG2 GLN 38 1.621 -7.533 -4.413 280 HG3 GLN 38 HG3 GLN 38 1.834 -6.417 -3.067 281 HE21 GLN 38 HE21 GLN 38 2.187 -9.664 -4.179 282 HE22 GLN 38 HE22 GLN 38 3.065 -10.263 -2.819 283 H PHE 39 H PHE 39 -2.541 -7.992 -4.765 284 HA PHE 39 HA PHE 39 -4.554 -7.663 -2.810 285 HB2 PHE 39 HB2 PHE 39 -4.484 -6.474 -4.992 286 HB3 PHE 39 HB3 PHE 39 -4.862 -7.986 -5.805 287 HD1 PHE 39 HD1 PHE 39 -6.262 -6.239 -2.818 288 HD2 PHE 39 HD2 PHE 39 -6.987 -7.943 -6.647 289 HE1 PHE 39 HE1 PHE 39 -8.655 -5.722 -2.594 290 HE2 PHE 39 HE2 PHE 39 -9.381 -7.429 -6.425 291 HZ PHE 39 HZ PHE 39 -10.217 -6.306 -4.400 292 H HIS 40 H HIS 40 -3.787 -10.244 -5.059 293 HA HIS 40 HA HIS 40 -6.024 -11.875 -4.680 294 HB2 HIS 40 HB2 HIS 40 -4.371 -12.190 -6.475 295 HB3 HIS 40 HB3 HIS 40 -3.159 -12.647 -5.287 296 HD1 HIS 40 HD1 HIS 40 -2.770 -15.061 -5.364 297 HD2 HIS 40 HD2 HIS 40 -6.768 -14.121 -6.025 298 HE1 HIS 40 HE1 HIS 40 -3.942 -17.263 -5.694 299 HE2 HIS 40 HE2 HIS 40 -6.387 -16.674 -5.874 300 H SER 41 H SER 41 -3.010 -11.630 -2.861 301 HA SER 41 HA SER 41 -3.595 -13.840 -1.160 302 HB2 SER 41 HB2 SER 41 -1.548 -11.634 -0.853 303 HB3 SER 41 HB3 SER 41 -1.577 -13.150 0.040 304 HG SER 41 HG SER 41 -1.216 -14.263 -1.880 305 H LEU 42 H LEU 42 -4.570 -10.563 -1.155 306 HA LEU 42 HA LEU 42 -4.729 -10.202 1.681 307 HB2 LEU 42 HB2 LEU 42 -4.965 -8.570 -0.562 308 HB3 LEU 42 HB3 LEU 42 -6.572 -8.566 0.134 309 HG LEU 42 HG LEU 42 -4.027 -7.774 1.559 310 HD11 LEU 42 HD11 LEU 42 -4.725 -6.143 -0.101 311 HD12 LEU 42 HD12 LEU 42 -4.994 -5.528 1.529 312 HD13 LEU 42 HD13 LEU 42 -6.353 -6.129 0.577 313 HD21 LEU 42 HD21 LEU 42 -5.625 -8.792 3.092 314 HD22 LEU 42 HD22 LEU 42 -6.886 -7.704 2.511 315 HD23 LEU 42 HD23 LEU 42 -5.491 -7.055 3.372 316 H LYS 43 H LYS 43 -6.535 -11.963 -0.515 317 HA LYS 43 HA LYS 43 -8.482 -13.107 -0.448 318 HB2 LYS 43 HB2 LYS 43 -8.281 -12.503 2.505 319 HB3 LYS 43 HB3 LYS 43 -9.517 -13.539 1.808 320 HG2 LYS 43 HG2 LYS 43 -6.547 -14.011 1.683 321 HG3 LYS 43 HG3 LYS 43 -7.688 -14.840 2.745 322 HD2 LYS 43 HD2 LYS 43 -8.877 -15.678 0.745 323 HD3 LYS 43 HD3 LYS 43 -7.653 -14.914 -0.270 324 HE2 LYS 43 HE2 LYS 43 -5.929 -16.291 0.837 325 HE3 LYS 43 HE3 LYS 43 -7.198 -17.095 1.757 326 HZ1 LYS 43 HZ1 LYS 43 -6.628 -18.429 -0.127 327 HZ2 LYS 43 HZ2 LYS 43 -6.847 -17.129 -1.189 328 HZ3 LYS 43 HZ3 LYS 43 -8.181 -17.795 -0.383 329 HA PRO 44 HA PRO 44 -10.967 -9.164 -0.427 330 HB2 PRO 44 HB2 PRO 44 -11.443 -9.126 -3.100 331 HB3 PRO 44 HB3 PRO 44 -10.063 -8.314 -2.353 332 HG2 PRO 44 HG2 PRO 44 -10.173 -10.920 -3.793 333 HG3 PRO 44 HG3 PRO 44 -8.927 -9.668 -3.824 334 HD2 PRO 44 HD2 PRO 44 -8.709 -11.973 -2.366 335 HD3 PRO 44 HD3 PRO 44 -7.907 -10.451 -1.927 336 H ILE 45 H ILE 45 -13.062 -9.434 -0.039 337 HA ILE 45 HA ILE 45 -14.217 -12.034 -0.324 338 HB ILE 45 HB ILE 45 -15.512 -9.466 0.617 339 HG12 ILE 45 HG12 ILE 45 -15.356 -10.783 2.855 340 HG13 ILE 45 HG13 ILE 45 -14.120 -11.726 2.032 341 HG21 ILE 45 HG21 ILE 45 -16.509 -12.308 0.768 342 HG22 ILE 45 HG22 ILE 45 -17.199 -10.999 -0.191 343 HG23 ILE 45 HG23 ILE 45 -17.253 -10.924 1.569 344 HD11 ILE 45 HD11 ILE 45 -13.145 -9.962 3.382 345 HD12 ILE 45 HD12 ILE 45 -14.062 -8.753 2.484 346 HD13 ILE 45 HD13 ILE 45 -12.818 -9.699 1.669 347 H SER 46 H SER 46 -15.623 -8.924 -1.351 348 HA SER 46 HA SER 46 -16.902 -10.356 -3.565 349 HB2 SER 46 HB2 SER 46 -17.564 -7.617 -2.464 350 HB3 SER 46 HB3 SER 46 -18.536 -8.578 -3.581 351 HG SER 46 HG SER 46 -18.544 -10.207 -1.821 352 H GLY 47 H GLY 47 -14.125 -9.546 -3.676 353 HA2 GLY 47 HA2 GLY 47 -12.918 -8.939 -5.602 354 HA3 GLY 47 HA3 GLY 47 -14.298 -8.000 -6.146 355 H PHE 48 H PHE 48 -13.695 -7.341 -2.929 356 HA PHE 48 HA PHE 48 -11.650 -5.341 -3.392 357 HB2 PHE 48 HB2 PHE 48 -12.974 -3.485 -2.603 358 HB3 PHE 48 HB3 PHE 48 -13.803 -4.217 -3.967 359 HD1 PHE 48 HD1 PHE 48 -15.796 -5.690 -3.521 360 HD2 PHE 48 HD2 PHE 48 -13.991 -3.288 -0.508 361 HE1 PHE 48 HE1 PHE 48 -17.840 -5.861 -2.163 362 HE2 PHE 48 HE2 PHE 48 -16.028 -3.463 0.860 363 HZ PHE 48 HZ PHE 48 -17.955 -4.750 0.031 364 H ILE 49 H ILE 49 -11.163 -4.188 -1.273 365 HA ILE 49 HA ILE 49 -11.609 -5.990 1.008 366 HB ILE 49 HB ILE 49 -9.404 -5.569 1.862 367 HG12 ILE 49 HG12 ILE 49 -9.111 -3.248 1.020 368 HG13 ILE 49 HG13 ILE 49 -7.705 -4.261 0.725 369 HG21 ILE 49 HG21 ILE 49 -9.241 -6.366 -1.036 370 HG22 ILE 49 HG22 ILE 49 -9.638 -7.422 0.320 371 HG23 ILE 49 HG23 ILE 49 -8.031 -6.705 0.204 372 HD11 ILE 49 HD11 ILE 49 -9.790 -3.485 -1.302 373 HD12 ILE 49 HD12 ILE 49 -8.395 -4.521 -1.609 374 HD13 ILE 49 HD13 ILE 49 -8.158 -2.830 -1.169 375 H THR 50 H THR 50 -10.751 -4.651 3.083 376 HA THR 50 HA THR 50 -11.777 -1.918 2.910 377 HB THR 50 HB THR 50 -13.675 -3.325 3.606 378 HG1 THR 50 HG1 THR 50 -14.235 -2.066 5.374 379 HG21 THR 50 HG21 THR 50 -11.941 -4.042 5.973 380 HG22 THR 50 HG22 THR 50 -12.450 -5.136 4.685 381 HG23 THR 50 HG23 THR 50 -13.647 -4.452 5.783 382 H GLY 51 H GLY 51 -11.458 -0.831 5.178 383 HA2 GLY 51 HA2 GLY 51 -8.722 -0.622 5.673 384 HA3 GLY 51 HA3 GLY 51 -9.984 -0.035 6.740 385 H ASP 52 H ASP 52 -11.146 -2.600 7.288 386 HA ASP 52 HA ASP 52 -9.619 -3.420 9.488 387 HB2 ASP 52 HB2 ASP 52 -12.018 -3.835 9.350 388 HB3 ASP 52 HB3 ASP 52 -11.774 -4.925 7.989 389 H GLN 53 H GLN 53 -10.013 -4.939 6.301 390 HA GLN 53 HA GLN 53 -8.194 -7.063 6.765 391 HB2 GLN 53 HB2 GLN 53 -9.133 -5.820 4.177 392 HB3 GLN 53 HB3 GLN 53 -8.188 -7.297 4.282 393 HG2 GLN 53 HG2 GLN 53 -10.008 -8.332 5.577 394 HG3 GLN 53 HG3 GLN 53 -10.960 -6.860 5.363 395 HE21 GLN 53 HE21 GLN 53 -9.594 -9.644 3.800 396 HE22 GLN 53 HE22 GLN 53 -10.525 -9.539 2.349 397 H ALA 54 H ALA 54 -7.880 -3.845 5.377 398 HA ALA 54 HA ALA 54 -5.321 -3.932 4.356 399 HB1 ALA 54 HB1 ALA 54 -5.226 -1.523 4.732 400 HB2 ALA 54 HB2 ALA 54 -6.596 -1.629 5.840 401 HB3 ALA 54 HB3 ALA 54 -6.813 -1.999 4.128 402 H ARG 55 H ARG 55 -6.273 -3.045 7.674 403 HA ARG 55 HA ARG 55 -3.691 -2.698 8.689 404 HB2 ARG 55 HB2 ARG 55 -6.197 -3.637 10.098 405 HB3 ARG 55 HB3 ARG 55 -4.722 -3.162 10.920 406 HG2 ARG 55 HG2 ARG 55 -4.961 -0.896 10.028 407 HG3 ARG 55 HG3 ARG 55 -6.457 -1.384 9.223 408 HD2 ARG 55 HD2 ARG 55 -7.475 -1.910 11.349 409 HD3 ARG 55 HD3 ARG 55 -5.966 -1.561 12.190 410 HE ARG 55 HE ARG 55 -7.662 0.437 10.842 411 HH11 ARG 55 HH11 ARG 55 -5.275 -0.459 13.240 412 HH12 ARG 55 HH12 ARG 55 -5.247 1.111 13.987 413 HH21 ARG 55 HH21 ARG 55 -7.642 2.503 11.821 414 HH22 ARG 55 HH22 ARG 55 -6.579 2.809 13.162 415 H ASN 56 H ASN 56 -5.715 -5.597 8.522 416 HA ASN 56 HA ASN 56 -4.120 -7.260 10.117 417 HB2 ASN 56 HB2 ASN 56 -6.451 -7.781 9.377 418 HB3 ASN 56 HB3 ASN 56 -5.829 -8.106 7.762 419 HD21 ASN 56 HD21 ASN 56 -6.047 -9.213 11.034 420 HD22 ASN 56 HD22 ASN 56 -5.444 -10.812 10.752 421 H PHE 57 H PHE 57 -4.099 -6.671 6.630 422 HA PHE 57 HA PHE 57 -1.969 -8.443 6.026 423 HB2 PHE 57 HB2 PHE 57 -3.556 -7.566 4.337 424 HB3 PHE 57 HB3 PHE 57 -2.867 -5.960 4.543 425 HD1 PHE 57 HD1 PHE 57 -0.610 -5.474 3.768 426 HD2 PHE 57 HD2 PHE 57 -2.437 -9.249 3.058 427 HE1 PHE 57 HE1 PHE 57 1.076 -5.965 2.066 428 HE2 PHE 57 HE2 PHE 57 -0.750 -9.747 1.339 429 HZ PHE 57 HZ PHE 57 1.015 -8.103 0.838 430 H PHE 58 H PHE 58 -2.084 -4.929 6.544 431 HA PHE 58 HA PHE 58 0.593 -4.310 6.291 432 HB2 PHE 58 HB2 PHE 58 -1.384 -3.141 8.260 433 HB3 PHE 58 HB3 PHE 58 0.171 -2.429 7.864 434 HD1 PHE 58 HD1 PHE 58 -0.276 -3.322 4.830 435 HD2 PHE 58 HD2 PHE 58 -2.447 -1.019 7.657 436 HE1 PHE 58 HE1 PHE 58 -1.296 -2.043 2.989 437 HE2 PHE 58 HE2 PHE 58 -3.480 0.263 5.828 438 HZ PHE 58 HZ PHE 58 -2.903 -0.249 3.489 439 H PHE 59 H PHE 59 -1.124 -5.243 9.253 440 HA PHE 59 HA PHE 59 1.108 -5.068 10.961 441 HB2 PHE 59 HB2 PHE 59 -1.327 -5.061 11.636 442 HB3 PHE 59 HB3 PHE 59 -1.337 -6.799 11.361 443 HD1 PHE 59 HD1 PHE 59 0.505 -4.190 13.271 444 HD2 PHE 59 HD2 PHE 59 -0.854 -8.220 13.107 445 HE1 PHE 59 HE1 PHE 59 1.306 -4.551 15.570 446 HE2 PHE 59 HE2 PHE 59 -0.058 -8.586 15.405 447 HZ PHE 59 HZ PHE 59 1.022 -6.749 16.640 448 H GLN 60 H GLN 60 -0.281 -7.752 9.143 449 HA GLN 60 HA GLN 60 1.274 -9.797 10.330 450 HB2 GLN 60 HB2 GLN 60 -0.852 -10.113 9.033 451 HB3 GLN 60 HB3 GLN 60 0.058 -9.794 7.564 452 HG2 GLN 60 HG2 GLN 60 1.383 -11.817 9.088 453 HG3 GLN 60 HG3 GLN 60 -0.315 -12.237 8.884 454 HE21 GLN 60 HE21 GLN 60 1.409 -10.305 6.561 455 HE22 GLN 60 HE22 GLN 60 1.462 -11.494 5.303 456 H SER 61 H SER 61 1.995 -7.401 7.990 457 HA SER 61 HA SER 61 4.120 -8.816 6.693 458 HB2 SER 61 HB2 SER 61 3.475 -5.860 6.741 459 HB3 SER 61 HB3 SER 61 4.632 -6.636 5.657 460 HG SER 61 HG SER 61 1.818 -7.004 5.764 461 H GLY 62 H GLY 62 3.810 -7.286 9.691 462 HA2 GLY 62 HA2 GLY 62 5.491 -7.486 11.347 463 HA3 GLY 62 HA3 GLY 62 6.702 -7.541 10.075 464 H LEU 63 H LEU 63 4.137 -5.147 10.334 465 HA LEU 63 HA LEU 63 6.159 -3.154 11.111 466 HB2 LEU 63 HB2 LEU 63 3.975 -2.891 9.038 467 HB3 LEU 63 HB3 LEU 63 4.840 -1.520 9.698 468 HG LEU 63 HG LEU 63 6.137 -3.773 8.131 469 HD11 LEU 63 HD11 LEU 63 6.322 -2.129 6.337 470 HD12 LEU 63 HD12 LEU 63 5.402 -0.969 7.297 471 HD13 LEU 63 HD13 LEU 63 4.637 -2.456 6.739 472 HD21 LEU 63 HD21 LEU 63 7.217 -1.114 9.083 473 HD22 LEU 63 HD22 LEU 63 8.076 -2.290 8.088 474 HD23 LEU 63 HD23 LEU 63 7.635 -2.695 9.747 475 HA PRO 64 HA PRO 64 3.201 -2.197 14.300 476 HB2 PRO 64 HB2 PRO 64 4.458 0.381 14.690 477 HB3 PRO 64 HB3 PRO 64 4.568 -1.061 15.700 478 HG2 PRO 64 HG2 PRO 64 6.655 -0.057 14.252 479 HG3 PRO 64 HG3 PRO 64 6.498 -1.765 14.700 480 HD2 PRO 64 HD2 PRO 64 5.888 -0.415 12.098 481 HD3 PRO 64 HD3 PRO 64 6.640 -1.996 12.397 482 H GLN 65 H GLN 65 1.518 -0.701 14.859 483 HA GLN 65 HA GLN 65 0.023 0.154 12.703 484 HB2 GLN 65 HB2 GLN 65 -0.144 0.868 15.607 485 HB3 GLN 65 HB3 GLN 65 -1.280 1.520 14.436 486 HG2 GLN 65 HG2 GLN 65 -1.713 -0.903 13.765 487 HG3 GLN 65 HG3 GLN 65 -0.868 -1.333 15.252 488 HE21 GLN 65 HE21 GLN 65 -2.731 -2.256 16.137 489 HE22 GLN 65 HE22 GLN 65 -4.044 -1.277 16.721 490 HA PRO 66 HA PRO 66 1.413 4.800 13.534 491 HB2 PRO 66 HB2 PRO 66 4.071 4.897 14.326 492 HB3 PRO 66 HB3 PRO 66 2.683 5.172 15.384 493 HG2 PRO 66 HG2 PRO 66 4.306 2.693 14.991 494 HG3 PRO 66 HG3 PRO 66 3.647 3.379 16.488 495 HD2 PRO 66 HD2 PRO 66 2.472 1.295 15.304 496 HD3 PRO 66 HD3 PRO 66 1.501 2.581 16.054 497 H VAL 67 H VAL 67 3.261 2.111 12.404 498 HA VAL 67 HA VAL 67 4.519 3.677 10.279 499 HB VAL 67 HB VAL 67 4.792 0.744 10.988 500 HG11 VAL 67 HG11 VAL 67 6.389 2.408 9.047 501 HG12 VAL 67 HG12 VAL 67 5.224 1.156 8.617 502 HG13 VAL 67 HG13 VAL 67 6.703 0.727 9.478 503 HG21 VAL 67 HG21 VAL 67 6.629 3.079 11.503 504 HG22 VAL 67 HG22 VAL 67 7.009 1.387 11.825 505 HG23 VAL 67 HG23 VAL 67 5.706 2.183 12.711 506 H LEU 68 H LEU 68 2.035 1.302 10.867 507 HA LEU 68 HA LEU 68 1.433 0.633 8.176 508 HB2 LEU 68 HB2 LEU 68 -0.421 0.645 10.558 509 HB3 LEU 68 HB3 LEU 68 -0.647 -0.246 9.069 510 HG LEU 68 HG LEU 68 1.427 -0.740 11.195 511 HD11 LEU 68 HD11 LEU 68 -0.882 -2.384 10.178 512 HD12 LEU 68 HD12 LEU 68 -0.761 -1.590 11.749 513 HD13 LEU 68 HD13 LEU 68 0.317 -2.927 11.350 514 HD21 LEU 68 HD21 LEU 68 1.104 -2.082 8.516 515 HD22 LEU 68 HD22 LEU 68 2.184 -2.613 9.807 516 HD23 LEU 68 HD23 LEU 68 2.449 -1.058 9.019 517 H ALA 69 H ALA 69 -0.011 2.873 10.481 518 HA ALA 69 HA ALA 69 -1.964 3.994 8.821 519 HB1 ALA 69 HB1 ALA 69 -1.935 4.273 11.258 520 HB2 ALA 69 HB2 ALA 69 -2.046 5.825 10.425 521 HB3 ALA 69 HB3 ALA 69 -0.510 5.303 11.118 522 H GLN 70 H GLN 70 1.448 4.616 9.121 523 HA GLN 70 HA GLN 70 1.572 7.049 7.719 524 HB2 GLN 70 HB2 GLN 70 3.345 5.652 9.099 525 HB3 GLN 70 HB3 GLN 70 3.720 4.971 7.526 526 HG2 GLN 70 HG2 GLN 70 3.742 7.925 8.040 527 HG3 GLN 70 HG3 GLN 70 5.135 6.894 8.348 528 HE21 GLN 70 HE21 GLN 70 3.211 8.455 5.978 529 HE22 GLN 70 HE22 GLN 70 4.187 8.057 4.610 530 H ILE 71 H ILE 71 1.777 3.663 6.658 531 HA ILE 71 HA ILE 71 1.996 4.220 3.877 532 HB ILE 71 HB ILE 71 0.914 1.788 5.316 533 HG12 ILE 71 HG12 ILE 71 3.525 2.188 3.848 534 HG13 ILE 71 HG13 ILE 71 3.344 2.310 5.593 535 HG21 ILE 71 HG21 ILE 71 1.069 0.607 3.179 536 HG22 ILE 71 HG22 ILE 71 1.527 2.111 2.378 537 HG23 ILE 71 HG23 ILE 71 -0.078 1.945 3.090 538 HD11 ILE 71 HD11 ILE 71 2.788 -0.147 3.949 539 HD12 ILE 71 HD12 ILE 71 2.686 -0.020 5.705 540 HD13 ILE 71 HD13 ILE 71 4.244 0.147 4.896 541 H TRP 72 H TRP 72 -0.698 3.489 6.010 542 HA TRP 72 HA TRP 72 -2.714 3.350 4.086 543 HB2 TRP 72 HB2 TRP 72 -2.828 2.533 6.449 544 HB3 TRP 72 HB3 TRP 72 -3.000 4.204 6.971 545 HD1 TRP 72 HD1 TRP 72 -4.857 2.956 3.873 546 HE1 TRP 72 HE1 TRP 72 -7.374 2.936 4.385 547 HE3 TRP 72 HE3 TRP 72 -4.658 4.030 8.849 548 HZ2 TRP 72 HZ2 TRP 72 -9.059 3.293 6.629 549 HZ3 TRP 72 HZ3 TRP 72 -6.767 4.156 10.119 550 HH2 TRP 72 HH2 TRP 72 -8.923 3.801 9.025 551 H ALA 73 H ALA 73 -1.619 6.117 6.054 552 HA ALA 73 HA ALA 73 -3.671 7.864 5.265 553 HB1 ALA 73 HB1 ALA 73 -0.862 8.547 6.135 554 HB2 ALA 73 HB2 ALA 73 -2.247 8.302 7.199 555 HB3 ALA 73 HB3 ALA 73 -2.227 9.663 6.078 556 H LEU 74 H LEU 74 -0.593 7.046 3.829 557 HA LEU 74 HA LEU 74 -0.698 9.055 1.777 558 HB2 LEU 74 HB2 LEU 74 1.077 6.757 2.459 559 HB3 LEU 74 HB3 LEU 74 1.165 7.446 0.856 560 HG LEU 74 HG LEU 74 1.693 8.911 3.449 561 HD11 LEU 74 HD11 LEU 74 3.986 9.010 2.616 562 HD12 LEU 74 HD12 LEU 74 3.524 8.032 1.224 563 HD13 LEU 74 HD13 LEU 74 3.449 7.346 2.848 564 HD21 LEU 74 HD21 LEU 74 2.398 10.761 1.983 565 HD22 LEU 74 HD22 LEU 74 0.678 10.401 1.822 566 HD23 LEU 74 HD23 LEU 74 1.813 9.860 0.585 567 H ALA 75 H ALA 75 -1.722 5.754 2.136 568 HA ALA 75 HA ALA 75 -1.531 4.939 -0.548 569 HB1 ALA 75 HB1 ALA 75 -3.295 3.861 1.651 570 HB2 ALA 75 HB2 ALA 75 -1.641 3.357 1.305 571 HB3 ALA 75 HB3 ALA 75 -2.923 3.044 0.132 572 H ASP 76 H ASP 76 -4.631 5.304 1.222 573 HA ASP 76 HA ASP 76 -5.812 6.084 -1.288 574 HB2 ASP 76 HB2 ASP 76 -7.954 6.142 -0.014 575 HB3 ASP 76 HB3 ASP 76 -7.178 4.577 -0.048 576 H MET 77 H MET 77 -5.118 7.945 -1.844 577 HA MET 77 HA MET 77 -4.294 10.064 -0.317 578 HB2 MET 77 HB2 MET 77 -5.435 9.987 -3.102 579 HB3 MET 77 HB3 MET 77 -4.759 11.450 -2.396 580 HG2 MET 77 HG2 MET 77 -2.601 10.462 -2.222 581 HG3 MET 77 HG3 MET 77 -3.231 8.868 -2.628 582 HE1 MET 77 HE1 MET 77 -3.652 7.996 -4.997 583 HE2 MET 77 HE2 MET 77 -3.908 9.037 -6.399 584 HE3 MET 77 HE3 MET 77 -5.030 9.099 -5.039 585 H ASN 78 H ASN 78 -7.598 9.319 -1.281 586 HA ASN 78 HA ASN 78 -8.674 11.856 -0.496 587 HB2 ASN 78 HB2 ASN 78 -9.813 10.342 -2.091 588 HB3 ASN 78 HB3 ASN 78 -10.060 9.178 -0.794 589 HD21 ASN 78 HD21 ASN 78 -12.252 9.201 -0.841 590 HD22 ASN 78 HD22 ASN 78 -13.206 10.572 -0.379 591 H ASN 79 H ASN 79 -7.460 9.254 1.230 592 HA ASN 79 HA ASN 79 -7.630 8.397 3.318 593 HB2 ASN 79 HB2 ASN 79 -6.961 10.908 3.675 594 HB3 ASN 79 HB3 ASN 79 -8.594 11.066 4.312 595 HD21 ASN 79 HD21 ASN 79 -8.611 8.346 5.418 596 HD22 ASN 79 HD22 ASN 79 -7.598 8.399 6.815 597 H ASP 80 H ASP 80 -9.464 7.248 2.366 598 HA ASP 80 HA ASP 80 -12.096 8.126 3.353 599 HB2 ASP 80 HB2 ASP 80 -11.850 7.626 0.924 600 HB3 ASP 80 HB3 ASP 80 -11.417 5.971 1.334 601 H GLY 81 H GLY 81 -9.658 5.671 3.581 602 HA2 GLY 81 HA2 GLY 81 -9.359 4.169 5.333 603 HA3 GLY 81 HA3 GLY 81 -10.954 4.589 5.939 604 H ARG 82 H ARG 82 -10.739 3.773 2.620 605 HA ARG 82 HA ARG 82 -11.738 1.070 3.207 606 HB2 ARG 82 HB2 ARG 82 -13.174 3.118 2.038 607 HB3 ARG 82 HB3 ARG 82 -12.605 2.194 0.654 608 HG2 ARG 82 HG2 ARG 82 -14.753 1.370 1.263 609 HG3 ARG 82 HG3 ARG 82 -13.558 0.151 1.716 610 HD2 ARG 82 HD2 ARG 82 -13.617 0.946 4.026 611 HD3 ARG 82 HD3 ARG 82 -14.792 2.180 3.576 612 HE ARG 82 HE ARG 82 -15.303 -0.726 3.555 613 HH11 ARG 82 HH11 ARG 82 -16.416 2.587 3.752 614 HH12 ARG 82 HH12 ARG 82 -18.055 2.146 4.118 615 HH21 ARG 82 HH21 ARG 82 -17.459 -1.317 4.067 616 HH22 ARG 82 HH22 ARG 82 -18.646 -0.070 4.319 617 H MET 83 H MET 83 -9.773 3.110 1.259 618 HA MET 83 HA MET 83 -8.481 2.858 -0.572 619 HB2 MET 83 HB2 MET 83 -6.673 1.249 -0.361 620 HB3 MET 83 HB3 MET 83 -6.977 2.081 1.152 621 HG2 MET 83 HG2 MET 83 -7.987 0.151 2.101 622 HG3 MET 83 HG3 MET 83 -8.002 -0.679 0.546 623 HE1 MET 83 HE1 MET 83 -5.627 0.899 3.300 624 HE2 MET 83 HE2 MET 83 -5.071 1.563 1.765 625 HE3 MET 83 HE3 MET 83 -4.054 0.431 2.658 626 H ASP 84 H ASP 84 -9.364 2.566 -2.448 627 HA ASP 84 HA ASP 84 -10.609 0.086 -3.235 628 HB2 ASP 84 HB2 ASP 84 -11.456 2.262 -4.037 629 HB3 ASP 84 HB3 ASP 84 -9.928 2.566 -4.848 630 H GLN 85 H GLN 85 -9.878 -0.844 -5.445 631 HA GLN 85 HA GLN 85 -7.303 -1.915 -5.194 632 HB2 GLN 85 HB2 GLN 85 -9.097 -1.741 -7.623 633 HB3 GLN 85 HB3 GLN 85 -7.619 -2.687 -7.556 634 HG2 GLN 85 HG2 GLN 85 -9.402 -4.190 -7.203 635 HG3 GLN 85 HG3 GLN 85 -8.636 -3.948 -5.636 636 HE21 GLN 85 HE21 GLN 85 -9.768 -2.926 -4.002 637 HE22 GLN 85 HE22 GLN 85 -11.457 -2.558 -4.113 638 H VAL 86 H VAL 86 -8.453 0.976 -6.794 639 HA VAL 86 HA VAL 86 -6.146 1.586 -8.299 640 HB VAL 86 HB VAL 86 -8.010 3.524 -6.900 641 HG11 VAL 86 HG11 VAL 86 -6.109 3.945 -9.206 642 HG12 VAL 86 HG12 VAL 86 -5.934 4.593 -7.576 643 HG13 VAL 86 HG13 VAL 86 -7.263 5.132 -8.601 644 HG21 VAL 86 HG21 VAL 86 -9.185 3.658 -9.035 645 HG22 VAL 86 HG22 VAL 86 -9.211 2.012 -8.402 646 HG23 VAL 86 HG23 VAL 86 -8.109 2.436 -9.713 647 H GLU 87 H GLU 87 -7.092 2.714 -5.056 648 HA GLU 87 HA GLU 87 -4.633 3.899 -4.404 649 HB2 GLU 87 HB2 GLU 87 -6.903 2.843 -2.741 650 HB3 GLU 87 HB3 GLU 87 -5.467 3.530 -1.997 651 HG2 GLU 87 HG2 GLU 87 -7.206 5.179 -2.118 652 HG3 GLU 87 HG3 GLU 87 -5.875 5.635 -3.173 653 H PHE 88 H PHE 88 -5.816 0.594 -3.965 654 HA PHE 88 HA PHE 88 -3.658 -0.245 -2.334 655 HB2 PHE 88 HB2 PHE 88 -5.778 -1.506 -2.489 656 HB3 PHE 88 HB3 PHE 88 -5.390 -1.939 -4.153 657 HD1 PHE 88 HD1 PHE 88 -4.183 -2.249 -0.664 658 HD2 PHE 88 HD2 PHE 88 -4.091 -3.818 -4.615 659 HE1 PHE 88 HE1 PHE 88 -2.917 -4.198 0.144 660 HE2 PHE 88 HE2 PHE 88 -2.837 -5.773 -3.815 661 HZ PHE 88 HZ PHE 88 -2.244 -5.963 -1.436 662 H SER 89 H SER 89 -4.035 0.133 -5.769 663 HA SER 89 HA SER 89 -1.935 -1.549 -6.604 664 HB2 SER 89 HB2 SER 89 -3.674 -0.700 -8.146 665 HB3 SER 89 HB3 SER 89 -3.013 0.928 -7.975 666 HG SER 89 HG SER 89 -0.946 -0.316 -8.660 667 H ILE 90 H ILE 90 -1.972 1.611 -5.203 668 HA ILE 90 HA ILE 90 0.880 1.950 -5.817 669 HB ILE 90 HB ILE 90 -0.571 3.849 -6.411 670 HG12 ILE 90 HG12 ILE 90 1.274 4.474 -4.098 671 HG13 ILE 90 HG13 ILE 90 1.768 4.269 -5.776 672 HG21 ILE 90 HG21 ILE 90 -1.162 4.038 -3.467 673 HG22 ILE 90 HG22 ILE 90 -2.298 3.575 -4.734 674 HG23 ILE 90 HG23 ILE 90 -1.639 5.210 -4.697 675 HD11 ILE 90 HD11 ILE 90 1.641 6.614 -5.171 676 HD12 ILE 90 HD12 ILE 90 -0.056 6.420 -4.729 677 HD13 ILE 90 HD13 ILE 90 0.448 6.214 -6.408 678 H ALA 91 H ALA 91 -1.375 1.322 -3.274 679 HA ALA 91 HA ALA 91 0.184 2.150 -1.060 680 HB1 ALA 91 HB1 ALA 91 -2.240 1.838 -0.955 681 HB2 ALA 91 HB2 ALA 91 -1.409 0.891 0.279 682 HB3 ALA 91 HB3 ALA 91 -2.024 0.103 -1.173 683 H MET 92 H MET 92 -0.058 -0.901 -2.817 684 HA MET 92 HA MET 92 1.221 -2.465 -0.839 685 HB2 MET 92 HB2 MET 92 1.493 -4.161 -2.636 686 HB3 MET 92 HB3 MET 92 -0.150 -3.566 -2.464 687 HG2 MET 92 HG2 MET 92 0.168 -3.678 -4.751 688 HG3 MET 92 HG3 MET 92 0.428 -1.976 -4.381 689 HE1 MET 92 HE1 MET 92 1.581 -1.603 -6.699 690 HE2 MET 92 HE2 MET 92 1.336 -3.297 -7.117 691 HE3 MET 92 HE3 MET 92 2.929 -2.565 -7.301 692 H LYS 93 H LYS 93 2.459 -0.368 -3.309 693 HA LYS 93 HA LYS 93 5.117 -1.381 -3.319 694 HB2 LYS 93 HB2 LYS 93 3.925 1.260 -4.130 695 HB3 LYS 93 HB3 LYS 93 5.660 0.983 -4.169 696 HG2 LYS 93 HG2 LYS 93 5.341 -0.858 -5.735 697 HG3 LYS 93 HG3 LYS 93 3.595 -0.598 -5.691 698 HD2 LYS 93 HD2 LYS 93 4.569 0.450 -7.667 699 HD3 LYS 93 HD3 LYS 93 3.924 1.674 -6.574 700 HE2 LYS 93 HE2 LYS 93 5.981 2.554 -7.196 701 HE3 LYS 93 HE3 LYS 93 6.321 1.798 -5.641 702 HZ1 LYS 93 HZ1 LYS 93 8.059 1.074 -6.930 703 HZ2 LYS 93 HZ2 LYS 93 7.131 0.955 -8.335 704 HZ3 LYS 93 HZ3 LYS 93 6.976 -0.222 -7.126 705 H LEU 94 H LEU 94 3.398 0.999 -1.382 706 HA LEU 94 HA LEU 94 5.640 2.069 -0.052 707 HB2 LEU 94 HB2 LEU 94 2.815 2.363 0.072 708 HB3 LEU 94 HB3 LEU 94 3.391 2.041 1.695 709 HG LEU 94 HG LEU 94 4.997 3.905 1.465 710 HD11 LEU 94 HD11 LEU 94 3.539 4.418 -1.120 711 HD12 LEU 94 HD12 LEU 94 5.227 3.935 -0.948 712 HD13 LEU 94 HD13 LEU 94 4.697 5.509 -0.359 713 HD21 LEU 94 HD21 LEU 94 2.095 4.590 1.028 714 HD22 LEU 94 HD22 LEU 94 3.320 5.696 1.650 715 HD23 LEU 94 HD23 LEU 94 2.877 4.262 2.574 716 H ILE 95 H ILE 95 3.525 -0.658 0.639 717 HA ILE 95 HA ILE 95 4.595 -1.369 3.141 718 HB ILE 95 HB ILE 95 3.523 -3.298 1.069 719 HG12 ILE 95 HG12 ILE 95 1.949 -1.774 3.154 720 HG13 ILE 95 HG13 ILE 95 2.007 -1.337 1.451 721 HG21 ILE 95 HG21 ILE 95 3.580 -3.405 4.085 722 HG22 ILE 95 HG22 ILE 95 4.580 -4.357 2.990 723 HG23 ILE 95 HG23 ILE 95 2.835 -4.606 3.032 724 HD11 ILE 95 HD11 ILE 95 -0.012 -2.562 1.965 725 HD12 ILE 95 HD12 ILE 95 0.942 -3.909 2.585 726 HD13 ILE 95 HD13 ILE 95 1.012 -3.494 0.871 727 H LYS 96 H LYS 96 5.375 -2.391 -0.141 728 HA LYS 96 HA LYS 96 7.422 -4.201 0.395 729 HB2 LYS 96 HB2 LYS 96 6.159 -3.424 -1.820 730 HB3 LYS 96 HB3 LYS 96 7.591 -2.427 -2.005 731 HG2 LYS 96 HG2 LYS 96 7.661 -5.410 -1.638 732 HG3 LYS 96 HG3 LYS 96 7.655 -4.609 -3.207 733 HD2 LYS 96 HD2 LYS 96 9.737 -3.434 -2.568 734 HD3 LYS 96 HD3 LYS 96 9.753 -4.342 -1.055 735 HE2 LYS 96 HE2 LYS 96 9.868 -6.440 -2.310 736 HE3 LYS 96 HE3 LYS 96 9.847 -5.536 -3.823 737 HZ1 LYS 96 HZ1 LYS 96 12.082 -6.095 -3.351 738 HZ2 LYS 96 HZ2 LYS 96 11.971 -5.534 -1.755 739 HZ3 LYS 96 HZ3 LYS 96 11.927 -4.434 -3.044 740 H LEU 97 H LEU 97 7.565 -0.694 -0.205 741 HA LEU 97 HA LEU 97 10.385 -0.514 -0.017 742 HB2 LEU 97 HB2 LEU 97 8.135 1.403 -0.129 743 HB3 LEU 97 HB3 LEU 97 9.630 1.999 0.564 744 HG LEU 97 HG LEU 97 9.498 2.549 -1.801 745 HD11 LEU 97 HD11 LEU 97 11.693 2.138 -0.849 746 HD12 LEU 97 HD12 LEU 97 11.633 1.613 -2.531 747 HD13 LEU 97 HD13 LEU 97 11.554 0.423 -1.233 748 HD21 LEU 97 HD21 LEU 97 8.063 0.703 -2.529 749 HD22 LEU 97 HD22 LEU 97 9.402 -0.423 -2.294 750 HD23 LEU 97 HD23 LEU 97 9.513 0.837 -3.521 751 H LYS 98 H LYS 98 7.808 -0.120 2.379 752 HA LYS 98 HA LYS 98 9.480 0.871 4.437 753 HB2 LYS 98 HB2 LYS 98 6.775 -0.382 4.410 754 HB3 LYS 98 HB3 LYS 98 7.605 -0.088 5.937 755 HG2 LYS 98 HG2 LYS 98 7.951 2.299 4.973 756 HG3 LYS 98 HG3 LYS 98 6.599 1.861 3.921 757 HD2 LYS 98 HD2 LYS 98 5.202 1.414 5.817 758 HD3 LYS 98 HD3 LYS 98 6.560 1.649 6.921 759 HE2 LYS 98 HE2 LYS 98 5.396 3.750 5.111 760 HE3 LYS 98 HE3 LYS 98 5.074 3.585 6.829 761 HZ1 LYS 98 HZ1 LYS 98 7.277 4.122 7.368 762 HZ2 LYS 98 HZ2 LYS 98 6.800 5.260 6.204 763 HZ3 LYS 98 HZ3 LYS 98 7.800 3.964 5.762 764 H LEU 99 H LEU 99 8.442 -2.412 3.594 765 HA LEU 99 HA LEU 99 9.810 -3.640 5.771 766 HB2 LEU 99 HB2 LEU 99 8.715 -4.691 3.179 767 HB3 LEU 99 HB3 LEU 99 9.513 -5.729 4.341 768 HG LEU 99 HG LEU 99 6.992 -4.135 4.807 769 HD11 LEU 99 HD11 LEU 99 6.645 -6.037 3.333 770 HD12 LEU 99 HD12 LEU 99 5.917 -6.335 4.912 771 HD13 LEU 99 HD13 LEU 99 7.449 -7.100 4.490 772 HD21 LEU 99 HD21 LEU 99 6.885 -5.300 6.948 773 HD22 LEU 99 HD22 LEU 99 8.350 -4.324 6.832 774 HD23 LEU 99 HD23 LEU 99 8.433 -6.072 6.615 775 H GLN 100 H GLN 100 10.761 -2.482 2.668 776 HA GLN 100 HA GLN 100 13.300 -3.802 2.584 777 HB2 GLN 100 HB2 GLN 100 12.421 -2.985 0.520 778 HB3 GLN 100 HB3 GLN 100 12.149 -1.385 1.189 779 HG2 GLN 100 HG2 GLN 100 14.017 -1.348 -0.324 780 HG3 GLN 100 HG3 GLN 100 14.567 -1.034 1.319 781 HE21 GLN 100 HE21 GLN 100 13.738 -4.230 0.173 782 HE22 GLN 100 HE22 GLN 100 15.358 -4.854 0.173 783 H GLY 101 H GLY 101 12.004 -0.992 4.148 784 HA2 GLY 101 HA2 GLY 101 13.182 -0.224 6.135 785 HA3 GLY 101 HA3 GLY 101 14.683 -0.443 5.251 786 H TYR 102 H TYR 102 12.070 0.934 3.485 787 HA TYR 102 HA TYR 102 13.419 3.531 3.582 788 HB2 TYR 102 HB2 TYR 102 11.724 2.157 1.596 789 HB3 TYR 102 HB3 TYR 102 11.519 3.894 1.708 790 HD1 TYR 102 HD2 TYR 102 14.012 1.222 1.055 791 HD2 TYR 102 HD1 TYR 102 13.105 5.371 0.811 792 HE1 TYR 102 HE2 TYR 102 16.002 1.575 -0.350 793 HE2 TYR 102 HE1 TYR 102 15.086 5.731 -0.593 794 HH TYR 102 HH TYR 102 17.160 4.750 -1.109 795 H GLN 103 H GLN 103 11.939 5.441 3.346 796 HA GLN 103 HA GLN 103 9.488 5.254 4.894 797 HB2 GLN 103 HB2 GLN 103 11.216 5.511 6.606 798 HB3 GLN 103 HB3 GLN 103 11.866 6.911 5.768 799 HG2 GLN 103 HG2 GLN 103 9.842 8.162 6.225 800 HG3 GLN 103 HG3 GLN 103 9.124 6.748 6.999 801 HE21 GLN 103 HE21 GLN 103 11.534 9.241 7.259 802 HE22 GLN 103 HE22 GLN 103 11.845 9.046 8.952 803 H LEU 104 H LEU 104 8.145 7.083 4.636 804 HA LEU 104 HA LEU 104 8.997 9.149 2.757 805 HB2 LEU 104 HB2 LEU 104 7.933 7.151 1.554 806 HB3 LEU 104 HB3 LEU 104 6.445 7.581 2.371 807 HG LEU 104 HG LEU 104 6.565 9.827 1.258 808 HD11 LEU 104 HD11 LEU 104 8.962 9.850 0.795 809 HD12 LEU 104 HD12 LEU 104 8.021 10.068 -0.679 810 HD13 LEU 104 HD13 LEU 104 8.764 8.506 -0.329 811 HD21 LEU 104 HD21 LEU 104 6.482 7.427 -0.567 812 HD22 LEU 104 HD22 LEU 104 5.775 9.011 -0.893 813 HD23 LEU 104 HD23 LEU 104 5.146 8.017 0.420 814 HA PRO 105 HA PRO 105 6.276 11.334 5.582 815 HB2 PRO 105 HB2 PRO 105 6.293 13.771 4.484 816 HB3 PRO 105 HB3 PRO 105 7.754 13.093 5.217 817 HG2 PRO 105 HG2 PRO 105 7.000 13.299 2.332 818 HG3 PRO 105 HG3 PRO 105 8.578 13.552 3.098 819 HD2 PRO 105 HD2 PRO 105 7.787 11.225 1.812 820 HD3 PRO 105 HD3 PRO 105 9.098 11.339 3.000 821 H SER 106 H SER 106 4.484 13.264 5.068 822 HA SER 106 HA SER 106 2.304 11.771 3.986 823 HB2 SER 106 HB2 SER 106 1.032 13.904 4.540 824 HB3 SER 106 HB3 SER 106 1.869 13.127 5.882 825 HG SER 106 HG SER 106 2.121 15.502 5.603 826 H ALA 107 H ALA 107 4.635 13.626 2.586 827 HA ALA 107 HA ALA 107 2.994 14.589 0.390 828 HB1 ALA 107 HB1 ALA 107 5.039 15.565 -0.489 829 HB2 ALA 107 HB2 ALA 107 5.988 14.741 0.750 830 HB3 ALA 107 HB3 ALA 107 4.838 15.998 1.209 831 H LEU 108 H LEU 108 2.279 12.888 -0.789 832 HA LEU 108 HA LEU 108 3.869 10.588 -1.414 833 HB2 LEU 108 HB2 LEU 108 1.254 11.015 -1.356 834 HB3 LEU 108 HB3 LEU 108 1.496 11.495 -3.020 835 HG LEU 108 HG LEU 108 2.291 8.769 -1.983 836 HD11 LEU 108 HD11 LEU 108 0.195 7.960 -2.935 837 HD12 LEU 108 HD12 LEU 108 -0.284 9.617 -3.296 838 HD13 LEU 108 HD13 LEU 108 -0.093 9.099 -1.620 839 HD21 LEU 108 HD21 LEU 108 2.177 8.159 -4.347 840 HD22 LEU 108 HD22 LEU 108 3.335 9.465 -4.090 841 HD23 LEU 108 HD23 LEU 108 1.744 9.818 -4.761 842 HA PRO 109 HA PRO 109 6.170 12.544 -4.685 843 HB2 PRO 109 HB2 PRO 109 6.533 9.881 -5.877 844 HB3 PRO 109 HB3 PRO 109 7.741 10.986 -5.214 845 HG2 PRO 109 HG2 PRO 109 7.059 8.704 -3.963 846 HG3 PRO 109 HG3 PRO 109 7.495 10.172 -3.066 847 HD2 PRO 109 HD2 PRO 109 4.785 9.027 -3.639 848 HD3 PRO 109 HD3 PRO 109 5.405 9.765 -2.145 849 HA PRO 110 HA PRO 110 3.369 12.745 -8.120 850 HB2 PRO 110 HB2 PRO 110 4.896 14.140 -9.849 851 HB3 PRO 110 HB3 PRO 110 4.218 14.879 -8.392 852 HG2 PRO 110 HG2 PRO 110 6.982 13.848 -8.886 853 HG3 PRO 110 HG3 PRO 110 6.473 15.331 -8.056 854 HD2 PRO 110 HD2 PRO 110 7.218 13.042 -6.758 855 HD3 PRO 110 HD3 PRO 110 6.089 14.233 -6.081 856 H VAL 111 H VAL 111 6.228 11.011 -8.077 857 HA VAL 111 HA VAL 111 6.185 10.133 -10.830 858 HB VAL 111 HB VAL 111 7.790 8.976 -8.538 859 HG11 VAL 111 HG11 VAL 111 7.702 7.568 -10.521 860 HG12 VAL 111 HG12 VAL 111 9.317 8.240 -10.296 861 HG13 VAL 111 HG13 VAL 111 8.242 8.917 -11.519 862 HG21 VAL 111 HG21 VAL 111 9.615 10.448 -9.225 863 HG22 VAL 111 HG22 VAL 111 8.211 11.378 -8.700 864 HG23 VAL 111 HG23 VAL 111 8.564 11.207 -10.420 865 H MET 112 H MET 112 4.808 9.212 -7.821 866 HA MET 112 HA MET 112 4.260 6.489 -8.705 867 HB2 MET 112 HB2 MET 112 3.512 7.849 -6.110 868 HB3 MET 112 HB3 MET 112 3.355 6.136 -6.466 869 HG2 MET 112 HG2 MET 112 5.839 6.074 -6.785 870 HG3 MET 112 HG3 MET 112 5.886 7.723 -6.166 871 HE1 MET 112 HE1 MET 112 3.591 4.695 -5.067 872 HE2 MET 112 HE2 MET 112 4.542 4.035 -3.736 873 HE3 MET 112 HE3 MET 112 5.165 3.965 -5.386 874 H LYS 113 H LYS 113 2.482 9.407 -7.702 875 HA LYS 113 HA LYS 113 -0.033 8.290 -8.538 876 HB2 LYS 113 HB2 LYS 113 -0.960 10.505 -7.988 877 HB3 LYS 113 HB3 LYS 113 0.004 9.848 -6.677 878 HG2 LYS 113 HG2 LYS 113 0.956 11.865 -6.617 879 HG3 LYS 113 HG3 LYS 113 1.844 11.335 -8.045 880 HD2 LYS 113 HD2 LYS 113 0.315 12.403 -9.508 881 HD3 LYS 113 HD3 LYS 113 -0.837 12.691 -8.203 882 HE2 LYS 113 HE2 LYS 113 0.741 14.225 -7.143 883 HE3 LYS 113 HE3 LYS 113 1.905 13.922 -8.432 884 HZ1 LYS 113 HZ1 LYS 113 0.599 15.035 -9.983 885 HZ2 LYS 113 HZ2 LYS 113 0.465 16.001 -8.589 886 HZ3 LYS 113 HZ3 LYS 113 -0.800 14.959 -9.023 887 H GLN 114 H GLN 114 2.523 10.021 -9.991 888 HA GLN 114 HA GLN 114 2.989 10.569 -12.126 889 HB2 GLN 114 HB2 GLN 114 0.576 8.869 -12.775 890 HB3 GLN 114 HB3 GLN 114 1.825 9.367 -13.908 891 HG2 GLN 114 HG2 GLN 114 3.485 8.119 -12.611 892 HG3 GLN 114 HG3 GLN 114 2.215 7.591 -11.510 893 HE21 GLN 114 HE21 GLN 114 3.609 7.268 -14.654 894 HE22 GLN 114 HE22 GLN 114 2.760 5.823 -15.105 895 H GLN 115 H GLN 115 1.380 11.053 -14.334 896 HA GLN 115 HA GLN 115 0.240 13.623 -13.641 897 HB2 GLN 115 HB2 GLN 115 1.678 13.420 -15.617 898 HB3 GLN 115 HB3 GLN 115 0.593 12.224 -16.305 899 HG2 GLN 115 HG2 GLN 115 -1.165 13.910 -16.473 900 HG3 GLN 115 HG3 GLN 115 -0.076 15.109 -15.776 901 HE21 GLN 115 HE21 GLN 115 -0.207 16.404 -17.606 902 HE22 GLN 115 HE22 GLN 115 0.603 15.990 -19.078 903 HA PRO 116 HA PRO 116 -3.939 12.169 -13.126 904 HB2 PRO 116 HB2 PRO 116 -4.559 14.769 -14.446 905 HB3 PRO 116 HB3 PRO 116 -5.220 14.073 -12.960 906 HG2 PRO 116 HG2 PRO 116 -3.417 16.013 -12.870 907 HG3 PRO 116 HG3 PRO 116 -3.387 14.692 -11.695 908 HD2 PRO 116 HD2 PRO 116 -1.605 15.204 -14.027 909 HD3 PRO 116 HD3 PRO 116 -1.239 14.433 -12.471 910 H VAL 117 H VAL 117 -4.805 10.746 -14.404 911 HA VAL 117 HA VAL 117 -4.204 10.552 -17.143 912 HB VAL 117 HB VAL 117 -5.889 8.702 -17.190 913 HG11 VAL 117 HG11 VAL 117 -3.847 8.635 -14.969 914 HG12 VAL 117 HG12 VAL 117 -3.555 8.275 -16.670 915 HG13 VAL 117 HG13 VAL 117 -4.598 7.223 -15.713 916 HG21 VAL 117 HG21 VAL 117 -6.206 9.387 -14.266 917 HG22 VAL 117 HG22 VAL 117 -6.848 7.948 -15.059 918 HG23 VAL 117 HG23 VAL 117 -7.443 9.544 -15.512 919 H ALA 118 H ALA 118 -5.088 11.410 -18.860 920 HA ALA 118 HA ALA 118 -7.914 11.971 -19.006 921 HB1 ALA 118 HB1 ALA 118 -7.063 13.994 -17.887 922 HB2 ALA 118 HB2 ALA 118 -7.694 14.343 -19.497 923 HB3 ALA 118 HB3 ALA 118 -5.951 14.255 -19.232 924 H ILE 119 H ILE 119 -8.515 11.374 -20.982 925 HA ILE 119 HA ILE 119 -6.513 11.350 -23.120 926 HB ILE 119 HB ILE 119 -9.313 10.197 -23.156 927 HG12 ILE 119 HG12 ILE 119 -7.904 9.056 -21.505 928 HG13 ILE 119 HG13 ILE 119 -8.226 8.011 -22.883 929 HG21 ILE 119 HG21 ILE 119 -6.990 9.814 -25.043 930 HG22 ILE 119 HG22 ILE 119 -8.454 10.737 -25.375 931 HG23 ILE 119 HG23 ILE 119 -8.547 8.993 -25.145 932 HD11 ILE 119 HD11 ILE 119 -5.933 7.782 -22.179 933 HD12 ILE 119 HD12 ILE 119 -5.677 9.519 -22.333 934 HD13 ILE 119 HD13 ILE 119 -5.988 8.544 -23.768 935 H SER 120 H SER 120 -6.425 13.564 -23.473 936 HA SER 120 HA SER 120 -8.578 14.680 -25.049 937 HB2 SER 120 HB2 SER 120 -7.711 16.005 -22.462 938 HB3 SER 120 HB3 SER 120 -8.805 16.705 -23.653 939 HG SER 120 HG SER 120 -10.188 14.871 -23.267 940 H SER 121 H SER 121 -7.949 16.614 -26.156 941 HA SER 121 HA SER 121 -5.162 16.678 -26.825 942 HB2 SER 121 HB2 SER 121 -7.012 17.044 -28.487 943 HB3 SER 121 HB3 SER 121 -7.367 18.574 -27.691 944 HG SER 121 HG SER 121 -4.808 17.947 -28.734