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 bmr27151_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.17 _LACS_plot.Line_1_terminator_val_y_1 -3.28 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.51 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.59 _LACS_plot.Line_2_terminator_val_x_2 7.40 _LACS_plot.Line_2_terminator_val_y_2 5.50 _LACS_plot.Y_axis_chem_shift_offset 0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 39 HIS -3.75 1.52 0 10 LEU -5.43 -2.29 1 11 SER -5.04 -2.24 1 14 SER 2.50 1.35 1 16 ALA -0.43 -0.36 1 18 LYS 6.34 4.52 1 19 SER 3.36 3.29 1 20 THR 5.52 3.94 1 21 LEU 3.63 2.90 1 22 LEU 3.50 2.64 1 23 LYS 4.76 3.74 1 24 ARG 5.04 3.32 1 25 LEU 2.64 2.67 1 26 LEU 3.51 2.39 1 27 GLN 2.56 2.39 1 28 GLU 1.18 1.11 1 29 HIS -0.84 -0.38 1 30 SER 2.79 1.91 1 32 ILE 0.66 0.02 1 33 PHE -3.76 -1.24 1 35 PHE -2.87 -1.24 1 36 SER -1.04 -0.50 1 37 VAL 1.78 0.49 1 38 SER 0.71 1.32 1 40 THR -2.84 -2.96 1 41 THR -1.51 -1.37 1 42 ARG 3.55 -0.16 1 43 ASN 1.65 0.32 1 45 ARG 0.65 -0.28 1 48 GLU -2.68 -0.37 1 49 GLU -5.04 -1.78 1 50 ASN 1.40 1.68 1 52 LYS -0.40 0.46 1 53 ASP 1.04 2.75 1 54 TYR -5.06 -1.02 1 55 TYR 1.90 0.38 1 56 PHE 2.24 0.84 1 57 VAL -7.25 -3.61 1 58 THR -2.96 -1.82 1 59 ARG 5.23 4.11 1 60 GLU 4.37 3.42 1 61 VAL 4.91 3.93 1 62 MET 4.45 4.18 1 63 GLN 5.09 3.59 1 64 ARG 4.59 3.28 1 65 ASP 0.55 3.00 1 66 ILE 4.41 3.58 1 67 ALA 3.90 2.12 1 68 ALA -0.12 -0.05 1 70 ASP 2.08 1.85 1 71 PHE 0.29 0.79 1 72 ILE 1.73 0.95 1 73 GLU -2.83 -1.71 1 74 HIS -1.91 0.90 1 75 ALA -4.71 -0.81 1 76 GLU -3.88 -2.02 1 77 PHE -2.11 -0.60 1 78 SER 1.32 -0.37 1 80 ASN -4.44 -1.25 1 81 LEU -2.33 -1.09 1 82 TYR -5.12 -1.30 1 84 THR 0.02 0.29 1 85 SER -1.18 -1.44 1 86 LYS 5.12 3.90 1 87 VAL 4.34 3.06 1 88 ALA 1.55 2.34 1 89 VAL 4.50 3.33 1 90 GLN 4.58 3.19 1 91 ALA 3.58 2.15 1 92 VAL 4.61 3.67 1 93 GLN 3.90 3.63 1 94 ALA 2.60 1.40 1 95 MET 0.28 -0.54 1 96 ASN 2.38 0.98 1 97 ARG -5.32 -2.56 1 98 ILE 0.68 -0.09 1 100 VAL 0.08 -0.69 1 101 LEU 0.04 -1.38 1 102 ASP -1.11 -1.54 1 103 VAL -8.17 -3.73 1 104 ASP -2.33 -2.30 1 105 LEU 4.29 3.03 1 106 GLN 4.65 2.82 1 108 VAL 7.41 5.65 1 109 ARG 7.02 3.72 1 110 ASN 3.63 2.60 1 111 ILE 5.07 4.36 1 112 LYS 1.79 1.41 1 113 ALA 0.07 -0.43 1 114 THR -3.41 -0.73 1 115 ASP -0.04 -1.32 1 116 LEU -0.05 0.93 1 119 ILE -0.77 0.40 1 120 TYR -1.72 0.09 1 121 ILE -2.69 -1.09 1 122 SER -2.87 -3.48 1 123 VAL -0.44 -0.94 1 124 GLN -2.74 -2.06 1 127 SER -2.66 -2.15 1 128 LEU 3.35 2.22 1 129 HIS 3.44 4.37 1 130 VAL 4.85 3.70 1 131 LEU 4.23 2.99 1 132 GLU 5.51 3.66 1 133 GLN 4.40 3.16 1 134 ARG 4.56 3.46 1 135 LEU 2.69 2.44 1 136 ARG 4.81 3.58 1 137 GLN 2.88 1.88 1 138 ARG 1.22 1.12 1 139 ASN 2.15 1.06 1 140 THR -0.05 -0.30 1 141 GLU -3.90 -2.07 1 142 THR -2.97 -1.74 1 143 GLU 3.96 2.99 1 144 GLU 3.33 2.84 1 145 SER 5.51 3.32 1 146 LEU 3.89 3.04 1 147 VAL 5.69 4.47 1 148 LYS 3.97 3.11 1 149 ARG 4.18 3.22 1 150 LEU 4.27 2.61 1 151 ALA 3.83 2.36 1 152 ALA 3.45 2.10 1 153 ALA 2.70 2.11 1 154 GLN 4.85 3.50 1 155 ALA 3.83 2.35 1 156 ASP 3.08 3.38 1 157 MET 3.75 3.83 1 158 GLU 4.36 2.56 1 159 SER 4.47 3.57 1 160 SER 4.14 3.07 1 161 LYS 0.38 -0.37 1 162 GLU -0.38 0.47 1 165 LEU 2.95 2.55 1 166 PHE -1.46 -0.55 1 167 ASP 1.49 3.10 1 168 VAL -4.89 -1.31 1 169 VAL -0.78 -1.04 1 170 ILE -3.26 -1.23 1 171 ILE 0.32 -2.48 1 172 ASN 0.61 -1.63 1 173 ASP 0.67 1.46 1 174 SER -2.32 -2.09 1 175 LEU 3.54 2.91 1 176 ASP 4.46 3.44 1 177 GLN 4.14 2.22 1 178 ALA 2.42 2.15 1 179 TYR 4.49 3.63 1 180 ALA 4.57 2.78 1 181 GLU 3.16 2.47 1 182 LEU 3.43 2.80 1 183 LYS 6.17 4.37 1 184 GLU 3.65 2.73 1 185 ALA 2.82 1.80 1 186 LEU -0.73 -1.40 1 187 SER 5.50 4.16 1 188 GLU 3.56 2.43 1 189 GLU 1.67 0.88 1 190 ILE 5.45 4.73 1 191 LYS 4.12 3.29 1 192 LYS 4.20 3.08 1 193 ALA 1.15 1.21 1 194 GLN 1.79 0.94 1 195 ARG 1.40 0.78 1 196 THR 0.41 0.07 1 198 ALA 0.25 1.04 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27151_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.17 _LACS_plot.Line_1_terminator_val_y_1 4.89 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.49 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.41 _LACS_plot.Line_2_terminator_val_x_2 7.40 _LACS_plot.Line_2_terminator_val_y_2 -1.90 _LACS_plot.Y_axis_chem_shift_offset 0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 39 HIS -3.75 5.27 0 10 LEU -5.43 3.14 1 11 SER -5.04 2.80 1 14 SER 2.50 -1.15 1 16 ALA -0.43 0.07 1 18 LYS 6.34 -1.82 1 19 SER 3.36 -0.07 1 20 THR 5.52 -1.58 1 21 LEU 3.63 -0.73 1 22 LEU 3.50 -0.86 1 23 LYS 4.76 -1.02 1 24 ARG 5.04 -1.72 1 25 LEU 2.64 0.03 1 26 LEU 3.51 -1.12 1 27 GLN 2.56 -0.17 1 28 GLU 1.18 -0.07 1 29 HIS -0.84 0.46 1 30 SER 2.79 -0.88 1 32 ILE 0.66 -0.64 1 33 PHE -3.76 2.52 1 35 PHE -2.87 1.63 1 36 SER -1.04 0.54 1 37 VAL 1.78 -1.29 1 38 SER 0.71 0.61 1 40 THR -2.84 -0.12 1 41 THR -1.51 0.14 1 42 ARG 3.55 -3.71 1 43 ASN 1.65 -1.33 1 45 ARG 0.65 -0.93 1 48 GLU -2.68 2.31 1 49 GLU -5.04 3.26 1 50 ASN 1.40 0.28 1 52 LYS -0.40 0.86 1 53 ASP 1.04 1.71 1 54 TYR -5.06 4.04 1 55 TYR 1.90 -1.52 1 56 PHE 2.24 -1.40 1 57 VAL -7.25 3.64 1 58 THR -2.96 1.14 1 59 ARG 5.23 -1.12 1 60 GLU 4.37 -0.95 1 61 VAL 4.91 -0.98 1 62 MET 4.45 -0.27 1 63 GLN 5.09 -1.50 1 64 ARG 4.59 -1.31 1 65 ASP 0.55 2.45 1 66 ILE 4.41 -0.83 1 67 ALA 3.90 -1.78 1 68 ALA -0.12 0.07 1 70 ASP 2.08 -0.23 1 71 PHE 0.29 0.50 1 72 ILE 1.73 -0.78 1 73 GLU -2.83 1.12 1 74 HIS -1.91 2.81 1 75 ALA -4.71 3.90 1 76 GLU -3.88 1.86 1 77 PHE -2.11 1.51 1 78 SER 1.32 -1.69 1 80 ASN -4.44 3.19 1 81 LEU -2.33 1.24 1 82 TYR -5.12 3.82 1 84 THR 0.02 0.27 1 85 SER -1.18 -0.26 1 86 LYS 5.12 -1.22 1 87 VAL 4.34 -1.28 1 88 ALA 1.55 0.79 1 89 VAL 4.50 -1.17 1 90 GLN 4.58 -1.39 1 91 ALA 3.58 -1.43 1 92 VAL 4.61 -0.94 1 93 GLN 3.90 -0.27 1 94 ALA 2.60 -1.20 1 95 MET 0.28 -0.82 1 96 ASN 2.38 -1.40 1 97 ARG -5.32 2.76 1 98 ILE 0.68 -0.77 1 100 VAL 0.08 -0.77 1 101 LEU 0.04 -1.42 1 102 ASP -1.11 -0.43 1 103 VAL -8.17 4.44 1 104 ASP -2.33 0.03 1 105 LEU 4.29 -1.26 1 106 GLN 4.65 -1.83 1 108 VAL 7.41 -1.76 1 109 ARG 7.02 -3.30 1 110 ASN 3.63 -1.03 1 111 ILE 5.07 -0.71 1 112 LYS 1.79 -0.38 1 113 ALA 0.07 -0.50 1 114 THR -3.41 2.68 1 115 ASP -0.04 -1.28 1 116 LEU -0.05 0.98 1 119 ILE -0.77 1.17 1 120 TYR -1.72 1.81 1 121 ILE -2.69 1.60 1 122 SER -2.87 -0.61 1 123 VAL -0.44 -0.50 1 124 GLN -2.74 0.68 1 127 SER -2.66 0.51 1 128 LEU 3.35 -1.13 1 129 HIS 3.44 0.93 1 130 VAL 4.85 -1.15 1 131 LEU 4.23 -1.24 1 132 GLU 5.51 -1.85 1 133 GLN 4.40 -1.24 1 134 ARG 4.56 -1.10 1 135 LEU 2.69 -0.25 1 136 ARG 4.81 -1.23 1 137 GLN 2.88 -1.00 1 138 ARG 1.22 -0.10 1 139 ASN 2.15 -1.09 1 140 THR -0.05 -0.25 1 141 GLU -3.90 1.83 1 142 THR -2.97 1.23 1 143 GLU 3.96 -0.97 1 144 GLU 3.33 -0.49 1 145 SER 5.51 -2.19 1 146 LEU 3.89 -0.85 1 147 VAL 5.69 -1.22 1 148 LYS 3.97 -0.86 1 149 ARG 4.18 -0.96 1 150 LEU 4.27 -1.66 1 151 ALA 3.83 -1.47 1 152 ALA 3.45 -1.35 1 153 ALA 2.70 -0.59 1 154 GLN 4.85 -1.35 1 155 ALA 3.83 -1.48 1 156 ASP 3.08 0.30 1 157 MET 3.75 0.08 1 158 GLU 4.36 -1.80 1 159 SER 4.47 -0.90 1 160 SER 4.14 -1.07 1 161 LYS 0.38 -0.75 1 162 GLU -0.38 0.85 1 165 LEU 2.95 -0.40 1 166 PHE -1.46 0.91 1 167 ASP 1.49 1.61 1 168 VAL -4.89 3.58 1 169 VAL -0.78 -0.26 1 170 ILE -3.26 2.03 1 171 ILE 0.32 -2.80 1 172 ASN 0.61 -2.24 1 173 ASP 0.67 0.79 1 174 SER -2.32 0.23 1 175 LEU 3.54 -0.63 1 176 ASP 4.46 -1.02 1 177 GLN 4.14 -1.92 1 178 ALA 2.42 -0.27 1 179 TYR 4.49 -0.86 1 180 ALA 4.57 -1.79 1 181 GLU 3.16 -0.69 1 182 LEU 3.43 -0.63 1 183 LYS 6.17 -1.80 1 184 GLU 3.65 -0.92 1 185 ALA 2.82 -1.02 1 186 LEU -0.73 -0.67 1 187 SER 5.50 -1.34 1 188 GLU 3.56 -1.13 1 189 GLU 1.67 -0.79 1 190 ILE 5.45 -0.72 1 191 LYS 4.12 -0.83 1 192 LYS 4.20 -1.12 1 193 ALA 1.15 0.06 1 194 GLN 1.79 -0.85 1 195 ARG 1.40 -0.62 1 196 THR 0.41 -0.34 1 198 ALA 0.25 0.79 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27151_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.17 _LACS_plot.Line_1_terminator_val_y_1 0.74 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.18 _LACS_plot.Line_2_terminator_val_x_2 7.40 _LACS_plot.Line_2_terminator_val_y_2 -0.62 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 54 TYR -5.06 -0.06 0 41 THR -1.51 1.09 0 10 LEU -5.43 1.00 1 11 SER -5.04 0.55 1 14 SER 2.50 -0.05 1 16 ALA -0.43 -0.15 1 18 LYS 6.34 -0.60 1 19 SER 3.36 -0.59 1 20 THR 5.52 -0.52 1 21 LEU 3.63 -0.49 1 22 LEU 3.50 -0.51 1 23 LYS 4.76 -0.48 1 24 ARG 5.04 -0.45 1 25 LEU 2.64 0.35 1 26 LEU 3.51 -0.39 1 27 GLN 2.56 -0.26 1 28 GLU 1.18 -0.27 1 29 HIS -0.84 0.30 1 30 SER 2.79 -0.05 1 32 ILE 0.66 0.04 1 33 PHE -3.76 0.58 1 35 PHE -2.87 0.46 1 36 SER -1.04 -0.33 1 37 VAL 1.78 -0.28 1 38 SER 0.71 0.74 1 39 HIS -3.75 1.01 1 40 THR -2.84 0.89 1 42 ARG 3.55 -0.08 1 43 ASN 1.65 -0.30 1 45 ARG 0.65 -0.11 1 48 GLU -2.68 0.23 1 49 GLU -5.04 0.46 1 50 ASN 1.40 0.54 1 52 LYS -0.40 0.03 1 53 ASP 1.04 -0.39 1 55 TYR 1.90 0.10 1 56 PHE 2.24 0.31 1 57 VAL -7.25 0.95 1 58 THR -2.96 0.33 1 59 ARG 5.23 -0.48 1 60 GLU 4.37 -0.41 1 61 VAL 4.91 -0.63 1 62 MET 4.45 -0.54 1 63 GLN 5.09 -0.58 1 64 ARG 4.59 -0.31 1 65 ASP 0.55 -0.14 1 66 ILE 4.41 -0.25 1 67 ALA 3.90 -0.22 1 68 ALA -0.12 -0.05 1 70 ASP 2.08 -0.26 1 71 PHE 0.29 -0.01 1 72 ILE 1.73 -0.04 1 73 GLU -2.83 0.34 1 74 HIS -1.91 0.74 1 75 ALA -4.71 0.14 1 76 GLU -3.88 0.90 1 77 PHE -2.11 0.28 1 78 SER 1.32 -0.55 1 80 ASN -4.44 0.13 1 81 LEU -2.33 0.78 1 82 TYR -5.12 1.03 1 84 THR 0.02 0.82 1 85 SER -1.18 -0.42 1 86 LYS 5.12 -0.48 1 87 VAL 4.34 -0.27 1 88 ALA 1.55 0.01 1 89 VAL 4.50 -0.18 1 90 GLN 4.58 -0.28 1 91 ALA 3.58 -0.17 1 92 VAL 4.61 -0.46 1 93 GLN 3.90 -0.08 1 94 ALA 2.60 -0.09 1 95 MET 0.28 0.04 1 96 ASN 2.38 -0.54 1 97 ARG -5.32 0.22 1 98 ILE 0.68 -0.63 1 100 VAL 0.08 0.39 1 101 LEU 0.04 0.34 1 102 ASP -1.11 0.68 1 103 VAL -8.17 0.89 1 104 ASP -2.33 0.14 1 105 LEU 4.29 -0.29 1 106 GLN 4.65 -0.39 1 108 VAL 7.41 -0.72 1 109 ARG 7.02 -0.65 1 110 ASN 3.63 -0.18 1 111 ILE 5.07 -0.36 1 112 LYS 1.79 -0.13 1 113 ALA 0.07 0.22 1 114 THR -3.41 0.51 1 115 ASP -0.04 0.11 1 116 LEU -0.05 -0.22 1 119 ILE -0.77 0.02 1 120 TYR -1.72 0.51 1 121 ILE -2.69 1.05 1 122 SER -2.87 0.26 1 123 VAL -0.44 0.63 1 124 GLN -2.74 -0.06 1 127 SER -2.66 0.01 1 128 LEU 3.35 -0.25 1 129 HIS 3.44 -0.29 1 130 VAL 4.85 -0.47 1 131 LEU 4.23 -0.29 1 132 GLU 5.51 -0.69 1 133 GLN 4.40 -0.45 1 134 ARG 4.56 -0.31 1 135 LEU 2.69 -0.31 1 136 ARG 4.81 -0.32 1 137 GLN 2.88 -0.25 1 138 ARG 1.22 -0.12 1 139 ASN 2.15 -0.07 1 140 THR -0.05 0.06 1 141 GLU -3.90 0.26 1 142 THR -2.97 0.18 1 143 GLU 3.96 -0.33 1 144 GLU 3.33 -0.30 1 145 SER 5.51 -0.50 1 146 LEU 3.89 -0.38 1 147 VAL 5.69 -0.52 1 148 LYS 3.97 -0.16 1 149 ARG 4.18 -0.18 1 150 LEU 4.27 -0.27 1 151 ALA 3.83 -0.08 1 152 ALA 3.45 -0.08 1 153 ALA 2.70 -0.07 1 154 GLN 4.85 -0.29 1 155 ALA 3.83 -0.06 1 156 ASP 3.08 -0.29 1 157 MET 3.75 -0.40 1 158 GLU 4.36 -0.27 1 159 SER 4.47 -0.13 1 160 SER 4.14 -0.13 1 161 LYS 0.38 -0.01 1 162 GLU -0.38 -0.21 1 165 LEU 2.95 -0.76 1 166 PHE -1.46 -0.10 1 167 ASP 1.49 -0.07 1 168 VAL -4.89 0.17 1 169 VAL -0.78 0.45 1 170 ILE -3.26 -0.04 1 171 ILE 0.32 0.11 1 172 ASN 0.61 0.02 1 173 ASP 0.67 -0.08 1 174 SER -2.32 0.18 1 175 LEU 3.54 -0.20 1 176 ASP 4.46 -0.29 1 177 GLN 4.14 -0.14 1 178 ALA 2.42 -0.31 1 179 TYR 4.49 -0.53 1 180 ALA 4.57 -0.49 1 181 GLU 3.16 -0.35 1 182 LEU 3.43 -0.50 1 183 LYS 6.17 -0.92 1 184 GLU 3.65 -0.32 1 185 ALA 2.82 -0.13 1 186 LEU -0.73 0.10 1 187 SER 5.50 -0.51 1 188 GLU 3.56 -0.28 1 189 GLU 1.67 -0.27 1 190 ILE 5.45 -0.96 1 191 LYS 4.12 -0.27 1 192 LYS 4.20 -0.37 1 193 ALA 1.15 -0.16 1 194 GLN 1.79 -0.22 1 195 ARG 1.40 -0.05 1 196 THR 0.41 0.00 1 198 ALA 0.25 -0.18 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27151_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.17 _LACS_plot.Line_1_terminator_val_y_1 -2.97 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.64 _LACS_plot.Line_2_terminator_val_x_2 7.40 _LACS_plot.Line_2_terminator_val_y_2 3.24 _LACS_plot.Y_axis_chem_shift_offset -0.23 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 39 HIS -3.75 2.65 0 101 LEU 0.04 -4.19 0 103 VAL -8.17 -0.39 0 10 LEU -5.43 -2.98 1 11 SER -5.04 -1.13 1 14 SER 2.50 0.40 1 16 ALA -0.43 -0.82 1 18 LYS 6.34 0.57 1 19 SER 3.36 2.78 1 20 THR 5.52 2.13 1 21 LEU 3.63 0.47 1 22 LEU 3.50 0.19 1 23 LYS 4.76 2.57 1 24 ARG 5.04 1.45 1 25 LEU 2.64 2.35 1 26 LEU 3.51 1.82 1 27 GLN 2.56 2.32 1 28 GLU 1.18 -0.19 1 29 HIS -0.84 1.12 1 32 ILE 0.66 -2.35 1 33 PHE -3.76 0.38 1 35 PHE -2.87 0.20 1 36 SER -1.04 -0.42 1 37 VAL 1.78 -0.34 1 38 SER 0.71 -1.01 1 40 THR -2.84 -3.03 1 41 THR -1.51 1.67 1 42 ARG 3.55 -1.30 1 48 GLU -2.68 0.48 1 50 ASN 1.40 1.40 1 52 LYS -0.40 -1.94 1 53 ASP 1.04 -2.23 1 54 TYR -5.06 -0.11 1 55 TYR 1.90 -1.37 1 56 PHE 2.24 0.72 1 57 VAL -7.25 -0.97 1 58 THR -2.96 1.51 1 59 ARG 5.23 3.04 1 60 GLU 4.37 2.95 1 61 VAL 4.91 0.74 1 62 MET 4.45 2.14 1 63 GLN 5.09 3.07 1 64 ARG 4.59 2.64 1 65 ASP 0.55 2.98 1 66 ILE 4.41 4.88 1 67 ALA 3.90 0.93 1 68 ALA -0.12 0.29 1 70 ASP 2.08 0.22 1 71 PHE 0.29 -0.05 1 72 ILE 1.73 -2.24 1 73 GLU -2.83 -2.19 1 74 HIS -1.91 -1.38 1 75 ALA -4.71 -2.89 1 76 GLU -3.88 -0.77 1 78 SER 1.32 0.10 1 80 ASN -4.44 -2.96 1 81 LEU -2.33 -1.48 1 82 TYR -5.12 0.20 1 84 THR 0.02 -1.17 1 85 SER -1.18 0.00 1 86 LYS 5.12 2.59 1 87 VAL 4.34 1.77 1 88 ALA 1.55 1.66 1 89 VAL 4.50 2.67 1 90 GLN 4.58 2.65 1 91 ALA 3.58 2.29 1 92 VAL 4.61 2.29 1 93 GLN 3.90 3.90 1 94 ALA 2.60 0.96 1 95 MET 0.28 -1.14 1 96 ASN 2.38 -1.75 1 97 ARG -5.32 -1.14 1 98 ILE 0.68 -1.99 1 100 VAL 0.08 -1.06 1 102 ASP -1.11 0.28 1 104 ASP -2.33 -0.39 1 105 LEU 4.29 1.13 1 106 GLN 4.65 2.63 1 108 VAL 7.41 1.22 1 109 ARG 7.02 3.37 1 110 ASN 3.63 3.68 1 111 ILE 5.07 2.79 1 112 LYS 1.79 0.82 1 113 ALA 0.07 0.04 1 115 ASP -0.04 1.08 1 119 ILE -0.77 -1.51 1 120 TYR -1.72 0.16 1 121 ILE -2.69 -2.99 1 122 SER -2.87 -0.59 1 123 VAL -0.44 -1.54 1 129 HIS 3.44 3.88 1 130 VAL 4.85 1.58 1 131 LEU 4.23 0.03 1 132 GLU 5.51 1.11 1 133 GLN 4.40 3.19 1 134 ARG 4.56 3.77 1 135 LEU 2.69 3.24 1 136 ARG 4.81 2.66 1 137 GLN 2.88 1.15 1 138 ARG 1.22 0.43 1 139 ASN 2.15 -0.23 1 140 THR -0.05 0.50 1 141 GLU -3.90 0.59 1 142 THR -2.97 0.63 1 143 GLU 3.96 2.34 1 144 GLU 3.33 2.61 1 145 SER 5.51 2.84 1 146 LEU 3.89 0.90 1 147 VAL 5.69 4.77 1 148 LYS 3.97 3.39 1 149 ARG 4.18 4.15 1 150 LEU 4.27 1.11 1 151 ALA 3.83 3.48 1 152 ALA 3.45 2.42 1 153 ALA 2.70 1.71 1 154 GLN 4.85 2.21 1 155 ALA 3.83 3.04 1 156 ASP 3.08 3.63 1 157 MET 3.75 3.40 1 158 GLU 4.36 3.83 1 159 SER 4.47 1.36 1 160 SER 4.14 -0.61 1 161 LYS 0.38 0.23 1 165 LEU 2.95 -1.90 1 166 PHE -1.46 0.01 1 167 ASP 1.49 0.30 1 168 VAL -4.89 -2.91 1 169 VAL -0.78 -0.99 1 170 ILE -3.26 -2.35 1 171 ILE 0.32 -0.15 1 172 ASN 0.61 -1.04 1 173 ASP 0.67 -0.26 1 174 SER -2.32 0.16 1 175 LEU 3.54 1.28 1 176 ASP 4.46 2.92 1 177 GLN 4.14 1.42 1 178 ALA 2.42 -0.17 1 179 TYR 4.49 0.79 1 180 ALA 4.57 3.48 1 181 GLU 3.16 2.86 1 182 LEU 3.43 -0.39 1 183 LYS 6.17 2.91 1 184 GLU 3.65 3.22 1 185 ALA 2.82 1.71 1 186 LEU -0.73 -0.03 1 187 SER 5.50 1.88 1 188 GLU 3.56 2.41 1 189 GLU 1.67 2.28 1 190 ILE 5.45 1.27 1 191 LYS 4.12 3.16 1 192 LYS 4.20 2.37 1 193 ALA 1.15 0.83 1 194 GLN 1.79 0.81 1 195 ARG 1.40 0.37 1 196 THR 0.41 0.48 1 stop_ save_