data_LACS ################################# # LACS Output Information # ################################# ############################################################ # LACS Designator Definition # # # # Index Value Definition # # # # 0 Outliers # # 1 Normal points # # # ############################################################ save_LACS_CACB_CA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5202_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.10 _LACS_plot.Line_1_terminator_val_y_1 -2.74 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.62 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.43 _LACS_plot.Line_2_terminator_val_x_2 6.50 _LACS_plot.Line_2_terminator_val_y_2 4.55 _LACS_plot.Y_axis_chem_shift_offset 0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 212 ALA -7.10 -1.60 0 201 MET -6.20 -0.50 0 10 PHE -2.80 -0.50 1 13 PHE 0.60 0.10 1 14 LEU 4.30 2.50 1 15 THR -0.80 -0.60 1 18 SER 5.50 5.20 1 19 SER 4.10 4.00 1 20 GLU 3.50 2.60 1 21 THR 5.90 4.90 1 22 LEU 4.60 2.50 1 23 ARG 5.30 4.00 1 24 LYS 4.80 3.10 1 25 ALA 4.80 3.00 1 27 GLN 5.40 4.10 1 28 VAL 5.60 4.00 1 29 PHE 2.20 1.00 1 30 LEU 1.10 0.10 1 31 GLU 3.10 2.70 1 32 GLU 2.60 2.10 1 33 LEU 4.40 2.30 1 35 ASN -1.90 -0.50 1 36 HIS 1.20 4.00 1 37 LYS 5.00 3.80 1 38 ALA 3.30 2.60 1 39 PHE 2.60 3.00 1 40 LYS 5.20 3.60 1 41 LYS 3.30 2.50 1 42 GLU -2.30 -1.40 1 43 LEU 3.30 3.10 1 44 ARG 0.60 2.00 1 45 HIS 0.40 1.50 1 46 PHE -0.20 2.10 1 47 ILE -2.00 -1.30 1 48 SER -0.60 -0.20 1 50 ASP 0.10 0.20 1 51 GLU -0.20 0.20 1 53 LYS -0.10 -0.20 1 54 GLU -0.50 0.00 1 55 LYS -0.70 -0.40 1 56 LEU -2.10 -0.50 1 57 ASP -1.30 -1.70 1 58 LEU 1.80 1.70 1 59 VAL 6.50 4.20 1 60 SER 3.00 2.30 1 61 TYR 3.50 4.10 1 62 PHE 2.20 0.20 1 64 LYS 2.00 0.40 1 65 ARG -0.90 -0.50 1 69 VAL -0.90 -0.60 1 70 LEU 1.00 0.30 1 71 HIS -3.00 -0.30 1 73 THR 3.80 3.30 1 74 THR -1.10 -1.80 1 75 LYS -4.70 -3.60 1 76 PHE 2.40 1.50 1 78 ASP 0.90 0.70 1 79 TYR 5.00 1.00 1 81 LYS 2.10 1.50 1 82 ALA -0.90 -0.60 1 83 THR 3.10 2.30 1 85 ALA 2.70 3.90 1 86 GLU 4.30 3.40 1 87 GLU 4.60 3.30 1 88 TYR 3.70 3.40 1 89 ALA 0.40 1.30 1 90 GLN 0.40 -0.30 1 91 GLN -0.90 0.90 1 92 ASP 4.20 3.90 1 93 VAL 4.90 2.60 1 94 VAL 6.00 4.00 1 95 ARG 5.00 3.60 1 96 ARG 2.90 2.10 1 97 SER 1.40 1.80 1 98 TYR 4.10 3.70 1 100 LYS -0.70 -0.70 1 101 ALA -2.10 -1.00 1 102 PHE -4.80 -0.70 1 103 LYS -1.00 -1.30 1 104 LEU -2.40 -2.20 1 105 SER -1.50 -0.80 1 106 ILE -2.40 -2.50 1 107 SER -1.80 -0.30 1 108 ALA -3.40 -0.40 1 109 LEU -3.00 -1.80 1 110 PHE -4.90 -1.50 1 111 VAL -6.30 -1.40 1 112 THR -0.10 -0.50 1 114 LYS -0.10 1.70 1 115 THR -3.40 0.10 1 116 ALA -4.20 -3.50 1 118 ALA -4.90 -3.20 1 119 GLN 1.00 0.70 1 120 VAL -2.00 -1.80 1 121 VAL -0.70 -1.90 1 122 LEU 0.50 -0.40 1 123 ASN -1.90 -2.20 1 124 GLU 4.70 4.00 1 125 GLN 4.90 3.50 1 126 GLU 4.30 1.90 1 127 LEU 3.40 2.40 1 128 GLN 3.30 2.40 1 129 LEU 0.20 -1.10 1 130 TRP -3.90 -1.40 1 132 SER 1.10 1.20 1 133 ASP 0.70 -0.10 1 134 LEU 0.20 0.30 1 135 ASP 0.20 0.60 1 136 LYS 0.40 0.20 1 138 SER 0.20 0.50 1 139 SER 0.30 0.40 1 140 SER 0.60 0.70 1 141 GLU -0.30 -0.10 1 142 SER 0.30 0.70 1 143 LEU 1.00 0.00 1 148 ARG -0.80 0.30 1 149 ALA 3.50 1.70 1 150 HIS -2.10 0.70 1 151 VAL -4.00 -1.70 1 152 THR 4.80 3.40 1 153 LEU 0.20 -0.40 1 156 ALA -1.10 -1.00 1 157 ALA 2.90 2.10 1 158 ASP 1.80 0.60 1 159 VAL -0.70 -0.10 1 160 GLN -0.00 -0.30 1 162 VAL 3.40 1.50 1 163 GLN 2.20 1.20 1 164 THR 5.40 2.90 1 166 LEU 4.90 2.50 1 167 ASP 3.60 3.00 1 168 LEU 4.90 2.10 1 169 LEU 4.40 3.10 1 170 GLU 3.70 3.00 1 171 ILE 6.00 4.90 1 172 LEU 3.90 2.40 1 173 GLN 4.40 3.10 1 174 GLN 4.60 3.00 1 175 VAL 4.20 2.80 1 176 LYS 3.60 1.90 1 179 SER -1.20 -1.30 1 180 GLN 0.80 0.40 1 182 GLU -2.70 -1.50 1 183 GLU 0.70 -0.20 1 184 VAL 0.30 -0.80 1 186 GLU -2.20 -0.80 1 187 LEU 0.40 -0.20 1 189 ARG 0.20 0.20 1 191 LYS -2.00 0.30 1 192 LEU -4.00 -1.70 1 193 TYR -3.30 -0.90 1 194 SER -2.80 -3.10 1 195 LEU 0.90 0.30 1 197 LYS 4.10 0.70 1 199 ARG -1.00 -0.60 1 200 TRP -5.40 -0.60 1 202 LEU -3.40 -2.20 1 203 SER -1.10 -1.00 1 204 LEU 2.60 0.60 1 205 ALA 2.70 2.00 1 206 LYS -2.70 -2.00 1 207 LYS 2.90 1.30 1 208 MET -2.90 -0.50 1 209 GLU -3.10 -1.50 1 210 VAL -5.50 -3.80 1 211 LYS -1.00 -0.40 1 213 ILE -3.30 -2.30 1 214 PHE 0.90 0.30 1 215 THR 0.10 -2.10 1 217 TYR -1.70 -1.10 1 218 TYR 1.30 1.00 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5202_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.10 _LACS_plot.Line_1_terminator_val_y_1 4.36 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.38 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.57 _LACS_plot.Line_2_terminator_val_x_2 6.50 _LACS_plot.Line_2_terminator_val_y_2 -1.95 _LACS_plot.Y_axis_chem_shift_offset 0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 212 ALA -7.10 5.50 0 201 MET -6.20 5.70 0 10 PHE -2.80 2.30 1 13 PHE 0.60 -0.50 1 14 LEU 4.30 -1.80 1 15 THR -0.80 0.20 1 18 SER 5.50 -0.30 1 19 SER 4.10 -0.10 1 20 GLU 3.50 -0.90 1 21 THR 5.90 -1.00 1 22 LEU 4.60 -2.10 1 23 ARG 5.30 -1.30 1 24 LYS 4.80 -1.70 1 25 ALA 4.80 -1.80 1 27 GLN 5.40 -1.30 1 28 VAL 5.60 -1.60 1 29 PHE 2.20 -1.20 1 30 LEU 1.10 -1.00 1 31 GLU 3.10 -0.40 1 32 GLU 2.60 -0.50 1 33 LEU 4.40 -2.10 1 35 ASN -1.90 1.40 1 36 HIS 1.20 2.80 1 37 LYS 5.00 -1.20 1 38 ALA 3.30 -0.70 1 39 PHE 2.60 0.40 1 40 LYS 5.20 -1.60 1 41 LYS 3.30 -0.80 1 42 GLU -2.30 0.90 1 43 LEU 3.30 -0.20 1 44 ARG 0.60 1.40 1 45 HIS 0.40 1.10 1 46 PHE -0.20 2.30 1 47 ILE -2.00 0.70 1 48 SER -0.60 0.40 1 50 ASP 0.10 0.10 1 51 GLU -0.20 0.40 1 53 LYS -0.10 -0.10 1 54 GLU -0.50 0.50 1 55 LYS -0.70 0.30 1 56 LEU -2.10 1.60 1 57 ASP -1.30 -0.40 1 58 LEU 1.80 -0.10 1 59 VAL 6.50 -2.30 1 60 SER 3.00 -0.70 1 61 TYR 3.50 0.60 1 62 PHE 2.20 -2.00 1 64 LYS 2.00 -1.60 1 65 ARG -0.90 0.40 1 69 VAL -0.90 0.30 1 70 LEU 1.00 -0.70 1 71 HIS -3.00 2.70 1 73 THR 3.80 -0.50 1 74 THR -1.10 -0.70 1 75 LYS -4.70 1.10 1 76 PHE 2.40 -0.90 1 78 ASP 0.90 -0.20 1 79 TYR 5.00 -4.00 1 81 LYS 2.10 -0.60 1 82 ALA -0.90 0.30 1 83 THR 3.10 -0.80 1 85 ALA 2.70 1.20 1 86 GLU 4.30 -0.90 1 87 GLU 4.60 -1.30 1 88 TYR 3.70 -0.30 1 89 ALA 0.40 0.90 1 90 GLN 0.40 -0.70 1 91 GLN -0.90 1.80 1 92 ASP 4.20 -0.30 1 93 VAL 4.90 -2.30 1 94 VAL 6.00 -2.00 1 95 ARG 5.00 -1.40 1 96 ARG 2.90 -0.80 1 97 SER 1.40 0.40 1 98 TYR 4.10 -0.40 1 100 LYS -0.70 0.00 1 101 ALA -2.10 1.10 1 102 PHE -4.80 4.10 1 103 LYS -1.00 -0.30 1 104 LEU -2.40 0.20 1 105 SER -1.50 0.70 1 106 ILE -2.40 -0.10 1 107 SER -1.80 1.50 1 108 ALA -3.40 3.00 1 109 LEU -3.00 1.20 1 110 PHE -4.90 3.40 1 111 VAL -6.30 4.90 1 112 THR -0.10 -0.40 1 114 LYS -0.10 1.80 1 115 THR -3.40 3.50 1 116 ALA -4.20 0.70 1 118 ALA -4.90 1.70 1 119 GLN 1.00 -0.30 1 120 VAL -2.00 0.20 1 121 VAL -0.70 -1.20 1 122 LEU 0.50 -0.90 1 123 ASN -1.90 -0.30 1 124 GLU 4.70 -0.70 1 125 GLN 4.90 -1.40 1 126 GLU 4.30 -2.40 1 127 LEU 3.40 -1.00 1 128 GLN 3.30 -0.90 1 129 LEU 0.20 -1.30 1 130 TRP -3.90 2.50 1 132 SER 1.10 0.10 1 133 ASP 0.70 -0.80 1 134 LEU 0.20 0.10 1 135 ASP 0.20 0.40 1 136 LYS 0.40 -0.20 1 138 SER 0.20 0.30 1 139 SER 0.30 0.10 1 140 SER 0.60 0.10 1 141 GLU -0.30 0.20 1 142 SER 0.30 0.40 1 143 LEU 1.00 -1.00 1 148 ARG -0.80 1.10 1 149 ALA 3.50 -1.80 1 150 HIS -2.10 2.80 1 151 VAL -4.00 2.30 1 152 THR 4.80 -1.40 1 153 LEU 0.20 -0.60 1 156 ALA -1.10 0.10 1 157 ALA 2.90 -0.80 1 158 ASP 1.80 -1.20 1 159 VAL -0.70 0.60 1 160 GLN -0.00 -0.30 1 162 VAL 3.40 -1.90 1 163 GLN 2.20 -1.00 1 164 THR 5.40 -2.50 1 166 LEU 4.90 -2.40 1 167 ASP 3.60 -0.60 1 168 LEU 4.90 -2.80 1 169 LEU 4.40 -1.30 1 170 GLU 3.70 -0.70 1 171 ILE 6.00 -1.10 1 172 LEU 3.90 -1.50 1 173 GLN 4.40 -1.30 1 174 GLN 4.60 -1.60 1 175 VAL 4.20 -1.40 1 176 LYS 3.60 -1.70 1 179 SER -1.20 -0.10 1 180 GLN 0.80 -0.40 1 182 GLU -2.70 1.20 1 183 GLU 0.70 -0.90 1 184 VAL 0.30 -1.10 1 186 GLU -2.20 1.40 1 187 LEU 0.40 -0.60 1 189 ARG 0.20 0.00 1 191 LYS -2.00 2.30 1 192 LEU -4.00 2.30 1 193 TYR -3.30 2.40 1 194 SER -2.80 -0.30 1 195 LEU 0.90 -0.60 1 197 LYS 4.10 -3.40 1 199 ARG -1.00 0.40 1 200 TRP -5.40 4.80 1 202 LEU -3.40 1.20 1 203 SER -1.10 0.10 1 204 LEU 2.60 -2.00 1 205 ALA 2.70 -0.70 1 206 LYS -2.70 0.70 1 207 LYS 2.90 -1.60 1 208 MET -2.90 2.40 1 209 GLU -3.10 1.60 1 210 VAL -5.50 1.70 1 211 LYS -1.00 0.60 1 213 ILE -3.30 1.00 1 214 PHE 0.90 -0.60 1 215 THR 0.10 -2.20 1 217 TYR -1.70 0.60 1 218 TYR 1.30 -0.30 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5202_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.10 _LACS_plot.Line_1_terminator_val_y_1 0.90 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.29 _LACS_plot.Line_2_terminator_val_x_2 6.50 _LACS_plot.Line_2_terminator_val_y_2 -0.62 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 130 TRP -3.90 -1.27 0 10 PHE -2.80 0.60 1 13 PHE 0.60 -0.05 1 14 LEU 4.30 0.14 1 15 THR -0.80 0.55 1 19 SER 4.10 -0.36 1 20 GLU 3.50 -0.13 1 21 THR 5.90 0.04 1 22 LEU 4.60 -0.17 1 23 ARG 5.30 -0.45 1 24 LYS 4.80 -0.42 1 25 ALA 4.80 -0.16 1 27 GLN 5.40 -0.41 1 28 VAL 5.60 -0.34 1 29 PHE 2.20 -0.84 1 30 LEU 1.10 -1.00 1 31 GLU 3.10 -0.55 1 32 GLU 2.60 -0.36 1 33 LEU 4.40 -0.78 1 35 ASN -1.90 0.08 1 36 HIS 1.20 -0.52 1 37 LYS 5.00 -0.35 1 38 ALA 3.30 0.07 1 39 PHE 2.60 -0.75 1 40 LYS 5.20 -0.55 1 41 LYS 3.30 -0.12 1 42 GLU -2.30 0.36 1 43 LEU 3.30 -0.32 1 44 ARG 0.60 -0.09 1 45 HIS 0.40 -0.89 1 46 PHE -0.20 -0.03 1 47 ILE -2.00 0.23 1 48 SER -0.60 0.11 1 50 ASP 0.10 -0.06 1 51 GLU -0.20 0.01 1 53 LYS -0.10 0.13 1 54 GLU -0.50 0.04 1 55 LYS -0.70 -0.03 1 56 LEU -2.10 0.07 1 57 ASP -1.30 0.01 1 58 LEU 1.80 -0.29 1 59 VAL 6.50 -0.50 1 60 SER 3.00 -0.21 1 61 TYR 3.50 -0.56 1 62 PHE 2.20 -0.01 1 64 LYS 2.00 0.12 1 65 ARG -0.90 -0.21 1 69 VAL -0.90 0.26 1 70 LEU 1.00 0.19 1 71 HIS -3.00 0.63 1 73 THR 3.80 -0.20 1 74 THR -1.10 -0.04 1 75 LYS -4.70 -0.25 1 76 PHE 2.40 -0.32 1 78 ASP 0.90 -0.51 1 79 TYR 5.00 -0.80 1 81 LYS 2.10 -0.06 1 82 ALA -0.90 0.21 1 83 THR 3.10 -0.23 1 85 ALA 2.70 -0.35 1 86 GLU 4.30 -0.38 1 87 GLU 4.60 -0.46 1 88 TYR 3.70 -0.39 1 89 ALA 0.40 -0.61 1 90 GLN 0.40 -0.13 1 91 GLN -0.90 -0.22 1 92 ASP 4.20 -0.35 1 93 VAL 4.90 -0.25 1 94 VAL 6.00 -0.85 1 95 ARG 5.00 -0.34 1 96 ARG 2.90 -0.04 1 97 SER 1.40 0.16 1 98 TYR 4.10 -0.55 1 100 LYS -0.70 0.29 1 101 ALA -2.10 1.03 1 102 PHE -4.80 0.09 1 103 LYS -1.00 0.74 1 104 LEU -2.40 0.37 1 105 SER -1.50 0.53 1 106 ILE -2.40 0.90 1 107 SER -1.80 0.21 1 108 ALA -3.40 0.96 1 109 LEU -3.00 0.99 1 110 PHE -4.90 1.39 1 111 VAL -6.30 1.16 1 112 THR -0.10 1.09 1 114 LYS -0.10 0.00 1 115 THR -3.40 0.69 1 116 ALA -4.20 0.70 1 118 ALA -4.90 1.03 1 119 GLN 1.00 0.08 1 120 VAL -2.00 0.45 1 121 VAL -0.70 0.13 1 122 LEU 0.50 -0.26 1 123 ASN -1.90 0.05 1 124 GLU 4.70 -0.41 1 125 GLN 4.90 -0.17 1 126 GLU 4.30 -0.39 1 127 LEU 3.40 -0.16 1 128 GLN 3.30 -0.10 1 129 LEU 0.20 -0.24 1 132 SER 1.10 0.03 1 133 ASP 0.70 -0.01 1 134 LEU 0.20 0.05 1 135 ASP 0.20 0.10 1 136 LYS 0.40 -0.73 1 138 SER 0.20 0.06 1 139 SER 0.30 0.01 1 140 SER 0.60 0.03 1 141 GLU -0.30 0.03 1 142 SER 0.30 -0.01 1 143 LEU 1.00 -0.22 1 148 ARG -0.80 -0.34 1 149 ALA 3.50 0.05 1 150 HIS -2.10 0.09 1 151 VAL -4.00 0.39 1 152 THR 4.80 -0.02 1 153 LEU 0.20 -0.02 1 156 ALA -1.10 -0.06 1 157 ALA 2.90 -0.40 1 158 ASP 1.80 -0.13 1 159 VAL -0.70 0.04 1 160 GLN -0.00 -0.49 1 162 VAL 3.40 0.07 1 163 GLN 2.20 -0.55 1 164 THR 5.40 -0.01 1 166 LEU 4.90 -0.27 1 167 ASP 3.60 -0.30 1 168 LEU 4.90 -1.01 1 169 LEU 4.40 -0.59 1 170 GLU 3.70 -0.36 1 171 ILE 6.00 -0.74 1 172 LEU 3.90 -0.44 1 173 GLN 4.40 -0.35 1 174 GLN 4.60 -0.26 1 175 VAL 4.20 -0.37 1 176 LYS 3.60 -0.20 1 179 SER -1.20 0.23 1 180 GLN 0.80 -0.23 1 182 GLU -2.70 0.20 1 183 GLU 0.70 -0.24 1 184 VAL 0.30 0.49 1 186 GLU -2.20 0.43 1 187 LEU 0.40 0.22 1 189 ARG 0.20 -0.04 1 191 LYS -2.00 0.12 1 192 LEU -4.00 0.77 1 193 TYR -3.30 0.67 1 194 SER -2.80 -0.68 1 195 LEU 0.90 0.01 1 197 LYS 4.10 -0.76 1 199 ARG -1.00 1.40 1 200 TRP -5.40 0.65 1 201 MET -6.20 1.01 1 202 LEU -3.40 0.93 1 203 SER -1.10 0.83 1 204 LEU 2.60 -0.01 1 205 ALA 2.70 -0.17 1 206 LYS -2.70 0.21 1 207 LYS 2.90 -0.17 1 208 MET -2.90 0.06 1 209 GLU -3.10 0.90 1 210 VAL -5.50 0.66 1 211 LYS -1.00 0.63 1 212 ALA -7.10 1.02 1 213 ILE -3.30 1.11 1 214 PHE 0.90 0.72 1 215 THR 0.10 -0.27 1 217 TYR -1.70 -0.19 1 218 TYR 1.30 -0.40 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5202_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.10 _LACS_plot.Line_1_terminator_val_y_1 -2.65 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.74 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.73 _LACS_plot.Line_2_terminator_val_x_2 6.50 _LACS_plot.Line_2_terminator_val_y_2 2.43 _LACS_plot.Y_axis_chem_shift_offset -0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 88 TYR 3.70 6.50 0 10 PHE -2.80 0.00 1 13 PHE 0.60 -0.10 1 14 LEU 4.30 -0.60 1 18 SER 5.50 1.30 1 19 SER 4.10 1.60 1 20 GLU 3.50 2.60 1 21 THR 5.90 2.50 1 22 LEU 4.60 -0.10 1 23 ARG 5.30 4.00 1 24 LYS 4.80 1.60 1 25 ALA 4.80 3.70 1 27 GLN 5.40 2.20 1 28 VAL 5.60 2.20 1 29 PHE 2.20 3.30 1 30 LEU 1.10 2.90 1 31 GLU 3.10 2.50 1 32 GLU 2.60 3.70 1 33 LEU 4.40 0.50 1 35 ASN -1.90 -0.50 1 36 HIS 1.20 3.70 1 38 ALA 3.30 2.20 1 39 PHE 2.60 3.70 1 40 LYS 5.20 2.60 1 41 LYS 3.30 1.60 1 42 GLU -2.30 0.10 1 43 LEU 3.30 1.40 1 44 ARG 0.60 0.70 1 45 HIS 0.40 3.30 1 46 PHE -0.20 -0.50 1 47 ILE -2.00 -1.10 1 48 SER -0.60 0.60 1 50 ASP 0.10 -0.20 1 53 LYS -0.10 -0.30 1 54 GLU -0.50 -0.80 1 55 LYS -0.70 -1.90 1 56 LEU -2.10 -2.50 1 57 ASP -1.30 0.50 1 58 LEU 1.80 0.70 1 59 VAL 6.50 3.20 1 60 SER 3.00 3.00 1 61 TYR 3.50 1.20 1 62 PHE 2.20 0.70 1 64 LYS 2.00 -0.70 1 69 VAL -0.90 0.90 1 70 LEU 1.00 -1.20 1 71 HIS -3.00 -2.80 1 73 THR 3.80 0.00 1 74 THR -1.10 -2.20 1 75 LYS -4.70 -1.30 1 76 PHE 2.40 -1.50 1 78 ASP 0.90 -0.20 1 79 TYR 5.00 0.20 1 81 LYS 2.10 1.00 1 82 ALA -0.90 0.30 1 83 THR 3.10 1.70 1 85 ALA 2.70 0.10 1 86 GLU 4.30 1.90 1 87 GLU 4.60 2.80 1 89 ALA 0.40 -0.60 1 90 GLN 0.40 0.80 1 91 GLN -0.90 1.70 1 92 ASP 4.20 2.20 1 93 VAL 4.90 0.80 1 94 VAL 6.00 0.90 1 95 ARG 5.00 3.80 1 96 ARG 2.90 1.90 1 97 SER 1.40 -1.30 1 98 TYR 4.10 1.20 1 100 LYS -0.70 -1.30 1 101 ALA -2.10 -0.10 1 102 PHE -4.80 -1.40 1 103 LYS -1.00 0.40 1 104 LEU -2.40 -2.20 1 105 SER -1.50 -1.50 1 106 ILE -2.40 -0.20 1 107 SER -1.80 0.60 1 108 ALA -3.40 -1.90 1 109 LEU -3.00 -2.80 1 110 PHE -4.90 -2.60 1 111 VAL -6.30 -1.90 1 114 LYS -0.10 -0.30 1 115 THR -3.40 2.60 1 116 ALA -4.20 -0.20 1 118 ALA -4.90 -0.90 1 119 GLN 1.00 -1.90 1 120 VAL -2.00 -1.90 1 121 VAL -0.70 0.40 1 122 LEU 0.50 -1.10 1 123 ASN -1.90 0.10 1 124 GLU 4.70 2.50 1 125 GLN 4.90 4.00 1 126 GLU 4.30 2.40 1 127 LEU 3.40 2.50 1 128 GLN 3.30 1.20 1 129 LEU 0.20 -1.40 1 132 SER 1.10 0.50 1 133 ASP 0.70 0.40 1 134 LEU 0.20 -0.30 1 135 ASP 0.20 -1.00 1 138 SER 0.20 0.50 1 139 SER 0.30 0.50 1 140 SER 0.60 -0.10 1 141 GLU -0.30 -0.30 1 142 SER 0.30 -0.20 1 148 ARG -0.80 -1.00 1 149 ALA 3.50 -2.20 1 151 VAL -4.00 0.30 1 152 THR 4.80 -1.10 1 153 LEU 0.20 0.10 1 156 ALA -1.10 -0.80 1 157 ALA 2.90 0.50 1 158 ASP 1.80 -0.80 1 159 VAL -0.70 -0.30 1 162 VAL 3.40 0.30 1 163 GLN 2.20 0.20 1 164 THR 5.40 2.50 1 166 LEU 4.90 2.40 1 167 ASP 3.60 2.70 1 168 LEU 4.90 0.40 1 169 LEU 4.40 1.30 1 170 GLU 3.70 3.80 1 171 ILE 6.00 1.00 1 172 LEU 3.90 2.80 1 173 GLN 4.40 2.50 1 174 GLN 4.60 2.90 1 175 VAL 4.20 3.00 1 176 LYS 3.60 1.50 1 179 SER -1.20 -0.70 1 180 GLN 0.80 -1.20 1 182 GLU -2.70 -0.50 1 183 GLU 0.70 0.40 1 184 VAL 0.30 -0.40 1 186 GLU -2.20 -0.70 1 189 ARG 0.20 1.20 1 191 LYS -2.00 -2.80 1 192 LEU -4.00 -3.30 1 193 TYR -3.30 -0.40 1 194 SER -2.80 1.00 1 195 LEU 0.90 -0.30 1 197 LYS 4.10 -0.70 1 199 ARG -1.00 0.80 1 200 TRP -5.40 -1.00 1 201 MET -6.20 -3.50 1 202 LEU -3.40 -1.90 1 203 SER -1.10 0.70 1 204 LEU 2.60 0.30 1 205 ALA 2.70 0.30 1 206 LYS -2.70 -1.20 1 207 LYS 2.90 0.40 1 208 MET -2.90 -1.50 1 209 GLU -3.10 0.00 1 210 VAL -5.50 -2.50 1 211 LYS -1.00 -0.70 1 212 ALA -7.10 -2.70 1 213 ILE -3.30 1.10 1 214 PHE 0.90 -2.00 1 215 THR 0.10 -3.00 1 217 TYR -1.70 -1.80 1 218 TYR 1.30 -1.50 1 stop_ save_