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 bmr27631_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.70 _LACS_plot.Line_1_terminator_val_y_1 -3.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.85 _LACS_plot.Line_2_terminator_val_x_2 7.29 _LACS_plot.Line_2_terminator_val_y_2 4.63 _LACS_plot.Y_axis_chem_shift_offset 0.48 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 263 HIS -4.11 2.48 0 10 THR 0.22 1.09 1 11 SER -2.26 -1.25 1 12 VAL -4.38 -2.50 1 13 SER -1.86 -0.88 1 14 ARG -2.92 -3.37 1 17 ARG -0.69 -1.19 1 19 GLU 0.37 -0.11 1 21 ARG -0.26 -0.57 1 22 PHE -4.38 -1.71 1 23 ILE -4.75 -2.21 1 24 ALA -8.06 -3.58 1 25 VAL -5.41 -2.72 1 27 TYR -4.65 -0.45 1 28 VAL 0.15 -0.45 1 29 ASP 5.23 1.42 1 30 ASP 2.78 0.42 1 31 THR 0.22 0.99 1 32 GLN 1.91 -0.50 1 33 PHE -5.28 -1.32 1 34 VAL -7.49 -2.90 1 35 ARG -4.69 -1.99 1 36 PHE -4.85 -0.21 1 37 ASP -4.39 -2.68 1 38 SER 4.39 3.15 1 39 ASP 1.01 -0.19 1 40 ALA -0.62 -1.14 1 41 ALA 1.98 1.29 1 42 SER 3.84 1.98 1 43 GLN 3.61 0.00 1 44 ARG -4.57 -2.84 1 45 MET 0.55 1.08 1 46 GLU -5.65 -3.82 1 49 ALA 3.37 4.81 1 51 TRP 2.19 1.25 1 54 GLN 1.37 0.43 1 55 GLU 0.85 -0.35 1 58 GLU 4.91 2.67 1 59 TYR 3.79 2.83 1 60 TRP 2.60 1.90 1 61 ASP 4.26 3.13 1 63 GLU 2.81 1.35 1 65 ARG 5.64 3.75 1 66 LYS 3.92 2.63 1 67 VAL 7.29 3.30 1 68 LYS 5.58 3.12 1 69 ALA 4.59 2.14 1 70 HIS 6.06 4.38 1 71 SER 4.02 1.84 1 72 GLN -3.18 -1.55 1 74 HIS 3.47 2.86 1 75 ARG 6.01 3.93 1 76 VAL 5.68 3.71 1 77 ASP 3.36 2.79 1 78 LEU 4.59 3.61 1 80 THR 5.44 2.77 1 81 LEU 5.43 2.87 1 82 ARG 5.53 2.91 1 84 TYR 1.20 -1.30 1 85 TYR 2.77 1.03 1 86 ASN 3.19 0.96 1 87 GLN -1.48 -1.58 1 90 ALA 0.66 0.28 1 92 SER -0.84 -1.43 1 93 HIS -4.54 -0.50 1 94 THR -1.67 -0.43 1 95 VAL -3.22 -1.73 1 96 GLN -9.70 -2.85 1 97 ARG -6.41 -2.42 1 98 MET -4.67 -1.68 1 99 TYR -3.92 -1.63 1 102 ASP -4.17 -2.44 1 103 VAL -5.97 -4.23 1 108 ARG -0.38 -0.98 1 109 PHE 3.04 2.67 1 110 LEU -2.35 -0.33 1 111 ARG -2.38 -0.81 1 113 TYR -5.07 -2.20 1 114 HIS 2.40 3.29 1 116 TYR -6.95 -1.06 1 117 ALA -2.48 -1.89 1 118 TYR -4.69 -3.43 1 119 ASP 3.61 0.82 1 121 LYS -3.86 -2.80 1 122 ASP 2.69 2.70 1 123 TYR -0.58 1.81 1 124 ILE -3.16 -1.25 1 125 ALA -4.90 -1.13 1 126 LEU -1.58 -0.65 1 127 LYS 2.51 1.14 1 128 GLU 3.36 2.08 1 129 ASP 1.45 -0.50 1 130 LEU 4.69 0.43 1 131 ARG -2.58 -0.58 1 132 SER -1.97 -1.64 1 134 THR -0.68 -1.12 1 136 ALA 1.21 1.73 1 137 ASP -2.25 -2.15 1 139 ALA 4.50 2.06 1 140 ALA 1.31 0.92 1 141 GLN 5.20 2.42 1 142 THR 6.96 4.37 1 143 THR 7.12 4.64 1 145 HIS 3.88 3.97 1 147 TRP 2.27 0.12 1 148 GLU 4.45 3.09 1 149 ALA 3.72 1.76 1 150 ALA -0.93 -1.42 1 151 HIS 5.23 2.00 1 152 VAL 4.21 3.49 1 153 ALA 6.07 3.10 1 154 GLU 4.59 3.05 1 155 GLN 3.53 2.27 1 156 LEU 2.64 1.63 1 157 ARG 7.04 4.50 1 158 ALA 3.60 1.77 1 159 TYR 2.76 2.41 1 160 LEU 3.43 2.88 1 161 GLU -0.11 -0.44 1 163 THR 5.27 4.61 1 165 VAL 4.55 3.12 1 166 GLU 3.23 2.29 1 167 TRP 4.42 3.77 1 168 LEU 5.74 3.34 1 169 ARG 5.47 3.56 1 170 ARG 4.70 2.51 1 171 TYR 2.07 -0.68 1 172 LEU 5.30 3.70 1 173 GLU 2.71 1.57 1 174 ASN 4.27 1.95 1 176 LYS 5.49 4.32 1 177 GLU 3.66 2.42 1 181 ARG -1.94 -1.74 1 182 THR -2.35 -1.93 1 183 ASP -1.75 -1.39 1 184 ALA 0.72 -0.84 1 186 LYS 1.21 -0.68 1 187 THR -4.40 -2.77 1 188 HIS -1.72 0.98 1 189 MET -5.99 -1.74 1 190 THR -2.28 -1.66 1 191 HIS -4.99 -0.15 1 192 HIS -3.26 -1.14 1 193 ALA 1.17 0.13 1 194 VAL 0.81 0.25 1 195 SER -2.74 -2.01 1 197 HIS -1.39 0.78 1 198 GLU -5.63 -1.67 1 199 ALA -5.07 -2.26 1 200 THR -0.54 -0.68 1 201 LEU -3.37 -2.77 1 202 ARG -1.26 -0.96 1 204 TRP -2.22 -0.41 1 205 ALA -4.72 -2.01 1 206 LEU -4.98 -1.75 1 207 SER 1.79 -0.59 1 208 PHE -5.92 -4.29 1 209 TYR -1.46 2.48 1 211 ALA 4.15 1.69 1 212 GLU 2.22 0.66 1 213 ILE -1.16 -0.82 1 214 THR -0.79 -0.11 1 215 LEU -3.53 -1.65 1 216 THR -4.20 -2.05 1 217 TRP -3.96 -1.42 1 218 GLN -4.26 -1.85 1 219 ARG -2.71 -1.95 1 220 ASP 2.75 0.94 1 222 GLU -3.36 -2.59 1 223 ASP 2.36 1.85 1 224 GLN -1.59 -2.13 1 226 GLN 2.30 1.23 1 227 ASP 0.98 0.46 1 228 THR -1.47 -0.50 1 229 GLU -2.84 -1.53 1 230 LEU -3.40 -1.52 1 231 VAL -2.40 -3.38 1 232 GLU 0.41 -0.57 1 233 THR 3.93 2.27 1 234 ARG -3.32 -3.63 1 236 ALA 0.50 0.70 1 238 ASP -2.20 -3.02 1 240 THR -3.39 -1.93 1 241 PHE -3.76 -0.33 1 242 GLN -6.10 -2.88 1 243 LYS -3.88 0.95 1 244 TRP -6.29 -2.92 1 245 ALA -6.16 -2.18 1 246 ALA -6.50 -1.98 1 247 VAL -4.97 -3.44 1 248 VAL 0.87 -1.01 1 249 VAL -2.79 -3.42 1 251 SER 2.84 1.09 1 253 GLN 0.41 -1.00 1 254 GLU 6.39 5.42 1 255 GLN 4.25 2.02 1 256 ARG 1.62 0.89 1 257 TYR -1.40 -0.71 1 258 THR -3.63 -3.18 1 260 HIS -2.01 -0.83 1 261 VAL -2.31 -1.76 1 262 GLN -3.52 -1.92 1 264 GLU 2.58 1.89 1 266 LEU -1.83 -2.24 1 268 LYS -2.05 -1.52 1 270 LEU -3.46 -1.53 1 271 THR -0.53 -0.67 1 272 LEU -2.34 -0.47 1 273 ARG -4.61 -1.79 1 274 TRP 0.58 0.19 1 275 GLU -3.97 -4.13 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27631_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.70 _LACS_plot.Line_1_terminator_val_y_1 5.86 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.82 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.15 _LACS_plot.Line_2_terminator_val_x_2 7.29 _LACS_plot.Line_2_terminator_val_y_2 -2.66 _LACS_plot.Y_axis_chem_shift_offset 0.48 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 263 HIS -4.11 6.59 0 10 THR 0.22 0.87 1 11 SER -2.26 1.01 1 12 VAL -4.38 1.88 1 13 SER -1.86 0.98 1 14 ARG -2.92 -0.45 1 17 ARG -0.69 -0.50 1 19 GLU 0.37 -0.48 1 21 ARG -0.26 -0.31 1 22 PHE -4.38 2.67 1 23 ILE -4.75 2.54 1 24 ALA -8.06 4.48 1 25 VAL -5.41 2.69 1 27 TYR -4.65 4.20 1 28 VAL 0.15 -0.60 1 29 ASP 5.23 -3.81 1 30 ASP 2.78 -2.36 1 31 THR 0.22 0.77 1 32 GLN 1.91 -2.41 1 33 PHE -5.28 3.96 1 34 VAL -7.49 4.59 1 35 ARG -4.69 2.70 1 36 PHE -4.85 4.64 1 37 ASP -4.39 1.71 1 38 SER 4.39 -1.24 1 39 ASP 1.01 -1.20 1 40 ALA -0.62 -0.52 1 41 ALA 1.98 -0.69 1 42 SER 3.84 -1.86 1 43 GLN 3.61 -3.61 1 44 ARG -4.57 1.73 1 45 MET 0.55 0.53 1 46 GLU -5.65 1.83 1 49 ALA 3.37 1.44 1 51 TRP 2.19 -0.94 1 54 GLN 1.37 -0.94 1 55 GLU 0.85 -1.20 1 58 GLU 4.91 -2.24 1 59 TYR 3.79 -0.96 1 60 TRP 2.60 -0.70 1 61 ASP 4.26 -1.13 1 63 GLU 2.81 -1.46 1 65 ARG 5.64 -1.89 1 66 LYS 3.92 -1.29 1 67 VAL 7.29 -3.99 1 68 LYS 5.58 -2.46 1 69 ALA 4.59 -2.45 1 70 HIS 6.06 -1.68 1 71 SER 4.02 -2.18 1 72 GLN -3.18 1.63 1 74 HIS 3.47 -0.61 1 75 ARG 6.01 -2.08 1 76 VAL 5.68 -1.97 1 77 ASP 3.36 -0.57 1 78 LEU 4.59 -0.98 1 80 THR 5.44 -2.67 1 81 LEU 5.43 -2.56 1 82 ARG 5.53 -2.62 1 84 TYR 1.20 -2.50 1 85 TYR 2.77 -1.74 1 86 ASN 3.19 -2.23 1 87 GLN -1.48 -0.10 1 90 ALA 0.66 -0.38 1 92 SER -0.84 -0.59 1 93 HIS -4.54 4.04 1 94 THR -1.67 1.24 1 95 VAL -3.22 1.49 1 96 GLN -9.70 6.85 1 97 ARG -6.41 3.99 1 98 MET -4.67 2.99 1 99 TYR -3.92 2.29 1 102 ASP -4.17 1.73 1 103 VAL -5.97 1.74 1 108 ARG -0.38 -0.60 1 109 PHE 3.04 -0.37 1 110 LEU -2.35 2.02 1 111 ARG -2.38 1.57 1 113 TYR -5.07 2.87 1 114 HIS 2.40 0.89 1 116 TYR -6.95 5.89 1 117 ALA -2.48 0.59 1 118 TYR -4.69 1.26 1 119 ASP 3.61 -2.79 1 121 LYS -3.86 1.06 1 122 ASP 2.69 0.01 1 123 TYR -0.58 2.39 1 124 ILE -3.16 1.91 1 125 ALA -4.90 3.77 1 126 LEU -1.58 0.93 1 127 LYS 2.51 -1.37 1 128 GLU 3.36 -1.28 1 129 ASP 1.45 -1.95 1 130 LEU 4.69 -4.26 1 131 ARG -2.58 2.00 1 132 SER -1.97 0.33 1 134 THR -0.68 -0.44 1 136 ALA 1.21 0.52 1 137 ASP -2.25 0.10 1 139 ALA 4.50 -2.44 1 140 ALA 1.31 -0.39 1 141 GLN 5.20 -2.78 1 142 THR 6.96 -2.59 1 143 THR 7.12 -2.48 1 145 HIS 3.88 0.09 1 147 TRP 2.27 -2.15 1 148 GLU 4.45 -1.36 1 149 ALA 3.72 -1.96 1 150 ALA -0.93 -0.49 1 151 HIS 5.23 -3.23 1 152 VAL 4.21 -0.72 1 153 ALA 6.07 -2.97 1 154 GLU 4.59 -1.54 1 155 GLN 3.53 -1.26 1 156 LEU 2.64 -1.01 1 157 ARG 7.04 -2.54 1 158 ALA 3.60 -1.83 1 159 TYR 2.76 -0.35 1 160 LEU 3.43 -0.55 1 161 GLU -0.11 -0.33 1 163 THR 5.27 -0.66 1 165 VAL 4.55 -1.43 1 166 GLU 3.23 -0.94 1 167 TRP 4.42 -0.65 1 168 LEU 5.74 -2.40 1 169 ARG 5.47 -1.91 1 170 ARG 4.70 -2.19 1 171 TYR 2.07 -2.75 1 172 LEU 5.30 -1.60 1 173 GLU 2.71 -1.14 1 174 ASN 4.27 -2.32 1 176 LYS 5.49 -1.17 1 177 GLU 3.66 -1.24 1 181 ARG -1.94 0.20 1 182 THR -2.35 0.42 1 183 ASP -1.75 0.36 1 184 ALA 0.72 -1.56 1 186 LYS 1.21 -1.89 1 187 THR -4.40 1.63 1 188 HIS -1.72 2.70 1 189 MET -5.99 4.25 1 190 THR -2.28 0.62 1 191 HIS -4.99 4.84 1 192 HIS -3.26 2.12 1 193 ALA 1.17 -1.04 1 194 VAL 0.81 -0.56 1 195 SER -2.74 0.73 1 197 HIS -1.39 2.17 1 198 GLU -5.63 3.96 1 199 ALA -5.07 2.81 1 200 THR -0.54 -0.14 1 201 LEU -3.37 0.60 1 202 ARG -1.26 0.30 1 204 TRP -2.22 1.81 1 205 ALA -4.72 2.71 1 206 LEU -4.98 3.23 1 207 SER 1.79 -2.38 1 208 PHE -5.92 1.63 1 209 TYR -1.46 3.94 1 211 ALA 4.15 -2.46 1 212 GLU 2.22 -1.56 1 213 ILE -1.16 0.34 1 214 THR -0.79 0.68 1 215 LEU -3.53 1.88 1 216 THR -4.20 2.15 1 217 TRP -3.96 2.54 1 218 GLN -4.26 2.41 1 219 ARG -2.71 0.76 1 220 ASP 2.75 -1.81 1 222 GLU -3.36 0.77 1 223 ASP 2.36 -0.51 1 224 GLN -1.59 -0.54 1 226 GLN 2.30 -1.07 1 227 ASP 0.98 -0.52 1 228 THR -1.47 0.97 1 229 GLU -2.84 1.31 1 230 LEU -3.40 1.88 1 231 VAL -2.40 -0.98 1 232 GLU 0.41 -0.98 1 233 THR 3.93 -1.66 1 234 ARG -3.32 -0.31 1 236 ALA 0.50 0.20 1 238 ASP -2.20 -0.82 1 240 THR -3.39 1.46 1 241 PHE -3.76 3.43 1 242 GLN -6.10 3.22 1 243 LYS -3.88 4.83 1 244 TRP -6.29 3.37 1 245 ALA -6.16 3.98 1 246 ALA -6.50 4.52 1 247 VAL -4.97 1.53 1 248 VAL 0.87 -1.88 1 249 VAL -2.79 -0.63 1 251 SER 2.84 -1.75 1 253 GLN 0.41 -1.41 1 254 GLU 6.39 -0.97 1 255 GLN 4.25 -2.23 1 256 ARG 1.62 -0.73 1 257 TYR -1.40 0.69 1 258 THR -3.63 0.45 1 260 HIS -2.01 1.18 1 261 VAL -2.31 0.55 1 262 GLN -3.52 1.60 1 264 GLU 2.58 -0.69 1 266 LEU -1.83 -0.41 1 268 LYS -2.05 0.53 1 270 LEU -3.46 1.93 1 271 THR -0.53 -0.14 1 272 LEU -2.34 1.87 1 273 ARG -4.61 2.82 1 274 TRP 0.58 -0.39 1 275 GLU -3.97 -0.16 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27631_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.70 _LACS_plot.Line_1_terminator_val_y_1 -3.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.36 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.95 _LACS_plot.Line_2_terminator_val_x_2 7.29 _LACS_plot.Line_2_terminator_val_y_2 1.97 _LACS_plot.Y_axis_chem_shift_offset 0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 147 TRP 2.27 5.64 0 10 THR 0.22 -0.86 1 11 SER -2.26 -1.28 1 12 VAL -4.38 0.45 1 13 SER -1.86 -0.88 1 17 ARG -0.69 -0.24 1 21 ARG -0.26 -1.04 1 22 PHE -4.38 -3.05 1 23 ILE -4.75 -2.47 1 24 ALA -8.06 -1.68 1 25 VAL -5.41 -2.36 1 27 TYR -4.65 0.45 1 28 VAL 0.15 -0.50 1 29 ASP 5.23 -0.53 1 30 ASP 2.78 -0.31 1 31 THR 0.22 -2.19 1 32 GLN 1.91 -0.30 1 33 PHE -5.28 -1.23 1 34 VAL -7.49 -0.39 1 35 ARG -4.69 -2.96 1 36 PHE -4.85 -2.94 1 37 ASP -4.39 0.78 1 38 SER 4.39 0.64 1 39 ASP 1.01 0.51 1 40 ALA -0.62 -0.17 1 41 ALA 1.98 2.57 1 42 SER 3.84 0.95 1 43 GLN 3.61 -0.78 1 45 MET 0.55 -1.54 1 54 GLN 1.37 1.39 1 55 GLU 0.85 1.38 1 58 GLU 4.91 3.75 1 59 TYR 3.79 1.43 1 60 TRP 2.60 3.64 1 61 ASP 4.26 3.07 1 65 ARG 5.64 -0.08 1 66 LYS 3.92 3.51 1 67 VAL 7.29 1.24 1 68 LYS 5.58 2.78 1 69 ALA 4.59 3.33 1 70 HIS 6.06 2.30 1 71 SER 4.02 -0.48 1 74 HIS 3.47 2.98 1 75 ARG 6.01 3.14 1 76 VAL 5.68 2.67 1 77 ASP 3.36 1.40 1 78 LEU 4.59 2.89 1 80 THR 5.44 2.59 1 81 LEU 5.43 0.32 1 82 ARG 5.53 3.22 1 84 TYR 1.20 2.90 1 85 TYR 2.77 -1.34 1 86 ASN 3.19 -0.34 1 90 ALA 0.66 0.10 1 92 SER -0.84 -0.10 1 93 HIS -4.54 -1.31 1 95 VAL -3.22 -2.00 1 96 GLN -9.70 -2.91 1 97 ARG -6.41 -2.79 1 98 MET -4.67 -1.26 1 99 TYR -3.92 -2.11 1 102 ASP -4.17 0.01 1 103 VAL -5.97 -0.69 1 108 ARG -0.38 0.00 1 109 PHE 3.04 -1.40 1 110 LEU -2.35 -1.76 1 111 ARG -2.38 -1.59 1 113 TYR -5.07 0.10 1 117 ALA -2.48 -2.61 1 118 TYR -4.69 -0.79 1 119 ASP 3.61 -1.74 1 122 ASP 2.69 -2.03 1 123 TYR -0.58 -3.33 1 124 ILE -3.16 -3.83 1 125 ALA -4.90 -2.05 1 126 LEU -1.58 -0.31 1 127 LYS 2.51 0.73 1 128 GLU 3.36 -0.22 1 129 ASP 1.45 -0.29 1 130 LEU 4.69 -2.56 1 131 ARG -2.58 -1.17 1 132 SER -1.97 -2.92 1 136 ALA 1.21 -0.86 1 139 ALA 4.50 0.83 1 140 ALA 1.31 1.73 1 141 GLN 5.20 2.16 1 142 THR 6.96 2.10 1 143 THR 7.12 -1.13 1 145 HIS 3.88 4.62 1 148 GLU 4.45 3.01 1 149 ALA 3.72 0.79 1 150 ALA -0.93 -1.23 1 151 HIS 5.23 1.41 1 152 VAL 4.21 1.95 1 153 ALA 6.07 -1.81 1 154 GLU 4.59 3.44 1 155 GLN 3.53 3.78 1 156 LEU 2.64 0.72 1 157 ARG 7.04 0.67 1 158 ALA 3.60 3.34 1 160 LEU 3.43 -1.88 1 161 GLU -0.11 0.00 1 163 THR 5.27 -0.15 1 165 VAL 4.55 1.24 1 166 GLU 3.23 3.43 1 167 TRP 4.42 -0.64 1 168 LEU 5.74 0.49 1 169 ARG 5.47 1.38 1 170 ARG 4.70 2.10 1 171 TYR 2.07 2.21 1 172 LEU 5.30 1.75 1 173 GLU 2.71 2.93 1 174 ASN 4.27 2.53 1 176 LYS 5.49 0.69 1 181 ARG -1.94 -1.61 1 182 THR -2.35 -0.92 1 183 ASP -1.75 -1.60 1 186 LYS 1.21 1.47 1 187 THR -4.40 -0.35 1 189 MET -5.99 -0.56 1 190 THR -2.28 -2.71 1 191 HIS -4.99 0.00 1 193 ALA 1.17 -0.32 1 194 VAL 0.81 -1.08 1 197 HIS -1.39 1.36 1 198 GLU -5.63 -2.49 1 199 ALA -5.07 -3.26 1 200 THR -0.54 -0.48 1 201 LEU -3.37 -2.61 1 202 ARG -1.26 -3.46 1 204 TRP -2.22 -1.65 1 205 ALA -4.72 -2.74 1 206 LEU -4.98 -0.96 1 207 SER 1.79 -0.93 1 208 PHE -5.92 -0.76 1 211 ALA 4.15 0.06 1 212 GLU 2.22 -3.04 1 213 ILE -1.16 -3.71 1 214 THR -0.79 -2.36 1 215 LEU -3.53 -2.17 1 216 THR -4.20 -1.89 1 217 TRP -3.96 0.23 1 218 GLN -4.26 -1.12 1 219 ARG -2.71 0.21 1 220 ASP 2.75 -0.30 1 222 GLU -3.36 0.08 1 223 ASP 2.36 0.12 1 226 GLN 2.30 -0.19 1 227 ASP 0.98 -1.15 1 228 THR -1.47 -0.77 1 229 GLU -2.84 -2.52 1 230 LEU -3.40 -0.91 1 231 VAL -2.40 -0.64 1 232 GLU 0.41 -0.74 1 233 THR 3.93 -0.84 1 236 ALA 0.50 0.30 1 238 ASP -2.20 -0.16 1 240 THR -3.39 -0.36 1 241 PHE -3.76 -4.06 1 242 GLN -6.10 -0.36 1 243 LYS -3.88 -4.53 1 244 TRP -6.29 -2.20 1 245 ALA -6.16 -0.57 1 246 ALA -6.50 -3.00 1 247 VAL -4.97 -3.92 1 248 VAL 0.87 -0.41 1 251 SER 2.84 1.57 1 253 GLN 0.41 0.72 1 254 GLU 6.39 1.98 1 255 GLN 4.25 0.71 1 256 ARG 1.62 -0.10 1 257 TYR -1.40 0.02 1 258 THR -3.63 -2.49 1 260 HIS -2.01 0.66 1 261 VAL -2.31 -2.22 1 262 GLN -3.52 -2.32 1 263 HIS -4.11 0.80 1 264 GLU 2.58 0.46 1 270 LEU -3.46 -0.85 1 271 THR -0.53 -1.16 1 272 LEU -2.34 -2.91 1 273 ARG -4.61 -1.56 1 274 TRP 0.58 -1.22 1 stop_ save_