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 bmr17820_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.24 _LACS_plot.Line_1_terminator_val_y_1 -4.07 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.72 _LACS_plot.Line_2_terminator_val_x_2 9.40 _LACS_plot.Line_2_terminator_val_y_2 6.09 _LACS_plot.Y_axis_chem_shift_offset 1.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 138 ILE 2.40 -2.84 0 62 ILE -1.39 -5.47 0 10 ILE 5.44 1.66 1 11 LYS 1.07 -1.40 1 12 ASN -1.12 -1.50 1 14 ALA 2.12 0.82 1 15 ILE -3.02 -3.03 1 16 ILE 5.44 2.72 1 17 ASP 3.96 0.96 1 18 LYS -1.05 -1.29 1 19 GLU 1.97 0.29 1 20 HIS 0.27 -2.33 1 21 THR 0.24 -0.79 1 22 ALA -4.16 -2.58 1 23 ASP 2.59 1.51 1 24 ASN -1.43 -1.09 1 25 TRP -4.56 -2.95 1 26 ARG -4.53 -2.91 1 28 ILE -5.47 -3.62 1 29 ASP -0.45 -0.46 1 30 PHE -4.02 -2.53 1 31 GLN -4.95 -2.33 1 32 MET -2.91 -2.62 1 36 LYS 0.29 -1.60 1 38 GLU -3.01 -3.20 1 39 ARG 1.84 0.31 1 48 VAL 1.68 -0.03 1 49 GLU -3.96 -2.55 1 51 ALA -0.24 -1.62 1 52 THR -0.75 -0.17 1 53 VAL -0.66 -2.32 1 54 ILE -1.47 -1.57 1 55 PHE 0.55 -1.37 1 56 THR -4.59 -2.59 1 58 THR 0.75 -1.30 1 61 ILE -4.23 -3.10 1 63 GLU -5.22 -3.30 1 64 LEU -7.24 -3.53 1 66 LEU -1.08 -2.59 1 67 LYS -1.29 -2.10 1 69 ALA 2.75 2.62 1 70 SER 3.87 2.09 1 71 THR -0.11 -0.58 1 72 TRP 0.96 0.21 1 76 GLU -5.64 -3.17 1 77 VAL -1.93 -2.42 1 78 TYR -4.51 -2.14 1 79 GLU -3.43 -2.73 1 81 ASP 0.38 -0.77 1 82 LYS -0.46 -1.28 1 83 LYS 1.83 0.08 1 84 LEU 0.26 -1.53 1 86 VAL -1.35 -1.45 1 87 GLU -5.01 -3.23 1 88 LEU 0.22 -1.63 1 89 VAL 0.54 -1.23 1 90 SER 1.08 -0.47 1 91 TYR -4.94 -3.16 1 92 ASP -1.93 -2.51 1 93 SER 3.15 1.55 1 94 ASP 1.69 1.58 1 95 LYS 1.05 -1.09 1 96 ASP 3.29 0.42 1 97 TYR -6.25 -6.23 1 99 TYR -0.28 -1.00 1 100 ILE -5.29 -4.21 1 101 ARG -5.95 -2.80 1 102 PHE -1.53 -2.81 1 104 VAL -5.68 -4.46 1 105 SER 1.18 -0.32 1 106 ASN 2.18 1.46 1 108 THR 4.41 3.26 1 109 ARG -1.65 -0.77 1 110 GLU -4.48 -3.23 1 111 VAL -4.25 -3.08 1 112 LYS -2.71 -2.30 1 113 ILE -3.97 -2.95 1 118 GLU -3.05 -1.50 1 119 TYR -1.55 -1.83 1 121 GLU 1.49 -0.85 1 122 ASN 1.57 0.29 1 123 ILE 2.29 -0.69 1 124 HIS -1.54 -1.13 1 125 GLU -3.36 -2.06 1 126 ASP -1.58 -0.72 1 132 MET -0.29 -1.43 1 133 VAL -0.69 -1.82 1 134 PHE 0.62 0.95 1 135 ALA 1.43 1.25 1 136 GLN -2.34 -2.04 1 139 THR -3.70 -3.17 1 140 ASN -2.03 -2.09 1 141 ASN -3.22 -3.15 1 143 ASP 3.08 0.83 1 144 ASP 2.71 0.40 1 145 TYR -2.77 -2.16 1 146 VAL 0.51 -1.18 1 147 ASP -0.95 -1.95 1 148 GLU 4.27 2.62 1 150 THR 6.92 4.01 1 151 TYR 4.31 3.17 1 152 ASN 3.75 2.08 1 153 LEU 4.57 2.27 1 154 GLN 5.59 2.40 1 155 LYS 4.29 1.75 1 156 LEU 2.77 1.28 1 157 LEU -0.36 -1.11 1 158 ALA 9.40 5.77 1 160 TYR 3.76 1.93 1 161 HIS 2.38 1.61 1 162 LYS 0.93 -0.47 1 163 ALA 0.98 -0.35 1 165 THR -3.51 -3.79 1 166 LEU 3.32 2.49 1 167 GLU 6.74 4.42 1 168 ARG 2.43 -0.17 1 169 GLN 6.28 4.62 1 170 VAL 7.66 4.82 1 171 TYR 4.03 2.58 1 172 GLU 2.12 -0.13 1 173 LEU 2.03 1.85 1 174 GLU 4.49 2.61 1 175 LYS 3.74 1.27 1 176 LEU 2.47 1.09 1 177 GLN 4.12 2.37 1 178 GLU 0.88 -0.28 1 179 LYS -1.85 -1.00 1 180 LEU -0.28 -0.30 1 182 GLU 4.35 2.68 1 183 LYS 4.07 1.53 1 184 TYR -1.59 -0.39 1 185 LYS 5.62 4.27 1 186 ALA 5.39 2.57 1 187 GLU 3.64 1.49 1 188 TYR 6.17 4.16 1 189 LYS 5.12 2.42 1 190 LYS 5.55 2.51 1 191 LYS 4.35 1.88 1 192 LEU 5.88 2.86 1 193 ASP 5.34 3.03 1 194 GLN 4.24 1.96 1 195 THR 6.56 4.20 1 196 ARG 6.36 4.34 1 197 VAL 6.02 3.46 1 198 GLU 3.69 2.09 1 199 LEU 4.90 1.87 1 200 ALA 4.50 1.86 1 201 ASP 3.38 2.13 1 202 GLN 3.01 3.56 1 203 VAL 4.70 2.61 1 204 LYS 4.49 2.56 1 205 SER 3.92 2.07 1 206 ALA 4.53 2.63 1 207 VAL 6.17 3.84 1 208 THR 2.77 0.99 1 209 GLU -1.06 -0.34 1 210 PHE 1.00 3.04 1 211 GLU 4.85 4.44 1 212 ASN -0.70 -2.03 1 213 VAL -1.19 -1.80 1 214 THR 0.89 -0.50 1 216 THR 2.65 0.92 1 217 ASN 3.26 0.50 1 218 ASP -0.35 0.92 1 219 GLN -0.09 -1.91 1 220 LEU 0.29 -1.51 1 221 THR -3.22 -2.54 1 222 ASP 2.62 -0.29 1 223 LEU 2.20 0.56 1 224 GLN -3.70 -2.28 1 225 GLU 1.92 0.88 1 226 ALA -5.46 -3.26 1 227 HIS 1.57 -0.45 1 228 PHE -5.37 -3.22 1 229 VAL -4.87 -3.04 1 230 VAL 2.16 -0.74 1 231 PHE -5.75 -4.33 1 232 GLU -0.61 -0.59 1 233 SER 4.18 3.18 1 234 GLU -1.94 -1.00 1 235 GLU -2.67 -2.21 1 236 ASN 2.15 -2.09 1 237 SER -3.28 -2.58 1 238 GLU 3.67 1.51 1 239 SER -0.60 -2.00 1 240 VAL 5.18 2.27 1 241 MET 2.75 -0.69 1 242 ASP 2.68 3.32 1 244 PHE 1.22 -0.09 1 245 VAL -4.25 -3.60 1 246 GLU -0.61 -1.58 1 247 HIS 0.27 0.11 1 249 PHE -1.24 -1.83 1 250 TYR -4.48 -1.57 1 251 THR -3.42 -1.99 1 252 ALA -6.87 -2.02 1 253 THR -1.11 -1.40 1 254 LEU -1.46 -0.99 1 255 ASN 3.31 0.81 1 257 GLN -3.55 -2.88 1 258 LYS -1.30 -1.57 1 259 TYR -2.70 -0.37 1 260 VAL 2.80 -0.59 1 261 VAL -1.73 -2.88 1 262 MET -7.08 -3.16 1 263 LYS -3.71 -3.35 1 264 THR -2.46 -1.92 1 265 LYS -3.17 -2.25 1 267 ASP 3.11 3.71 1 268 SER 3.73 1.56 1 269 TYR 0.40 -1.48 1 270 TRP 2.69 0.81 1 271 LYS -0.24 -1.65 1 272 ASP -2.62 -1.41 1 273 LEU 0.92 0.28 1 274 ILE -2.40 -1.83 1 275 VAL -0.10 -1.20 1 276 GLU 3.65 -0.34 1 278 LYS -3.28 -2.79 1 279 ARG 4.53 1.52 1 280 VAL 1.26 -0.99 1 281 THR 0.06 -0.20 1 282 THR 3.62 1.57 1 283 VAL 0.85 -0.48 1 284 SER -2.39 -1.70 1 285 LYS -2.13 -0.50 1 286 ASP -2.66 -2.93 1 288 LYS 4.24 1.72 1 289 ASN -0.54 -1.23 1 291 SER -4.19 -2.50 1 292 ARG -3.86 -2.71 1 293 THR 1.25 -0.45 1 294 LEU -5.12 -2.88 1 295 ILE -5.98 -3.58 1 296 PHE -0.88 -1.88 1 298 TYR -1.11 -1.79 1 299 ILE -1.11 -2.78 1 301 ASP 1.80 -0.45 1 302 LYS -0.35 -1.08 1 303 ALA 1.19 1.01 1 304 VAL -1.27 -1.25 1 305 TYR -0.87 -2.79 1 306 ASN 0.25 1.36 1 307 ALA -5.76 -3.00 1 308 ILE -2.67 -2.36 1 309 VAL -4.16 -3.52 1 311 VAL -6.23 -4.12 1 312 VAL 1.46 -0.24 1 313 VAL 0.80 -1.51 1 314 ALA 2.42 0.98 1 315 ASN 2.72 0.88 1 316 ILE 0.77 -0.48 1 318 ALA -2.38 -2.02 1 319 GLU -1.14 -1.44 1 321 GLN 0.01 -1.76 1 322 TYR -3.90 -2.18 1 323 HIS -2.04 0.10 1 324 VAL -5.93 -4.69 1 325 ARG -2.78 -2.65 1 326 ILE 2.18 -0.10 1 327 ILE -1.54 -2.42 1 328 ASN -0.80 -2.55 1 329 GLN 1.83 0.67 1 330 ASP 1.87 0.35 1 331 ILE 0.47 -2.31 1 332 ASN 0.08 -0.63 1 333 THR 0.23 -0.90 1 334 LYS 0.34 -0.99 1 335 ASP -0.07 -0.75 1 336 ASP 0.72 0.68 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17820_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.24 _LACS_plot.Line_1_terminator_val_y_1 3.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.72 _LACS_plot.Line_2_terminator_val_x_2 9.40 _LACS_plot.Line_2_terminator_val_y_2 -3.31 _LACS_plot.Y_axis_chem_shift_offset 1.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 138 ILE 2.40 -5.24 0 62 ILE -1.39 -4.08 0 10 ILE 5.44 -3.78 1 11 LYS 1.07 -2.47 1 12 ASN -1.12 -0.38 1 14 ALA 2.12 -1.30 1 15 ILE -3.02 -0.01 1 16 ILE 5.44 -2.72 1 17 ASP 3.96 -3.00 1 18 LYS -1.05 -0.24 1 19 GLU 1.97 -1.68 1 20 HIS 0.27 -2.60 1 21 THR 0.24 -1.03 1 22 ALA -4.16 1.58 1 23 ASP 2.59 -1.08 1 24 ASN -1.43 0.34 1 25 TRP -4.56 1.61 1 26 ARG -4.53 1.62 1 28 ILE -5.47 1.85 1 29 ASP -0.45 -0.01 1 30 PHE -4.02 1.49 1 31 GLN -4.95 2.62 1 32 MET -2.91 0.29 1 36 LYS 0.29 -1.89 1 38 GLU -3.01 -0.19 1 39 ARG 1.84 -1.53 1 48 VAL 1.68 -1.71 1 49 GLU -3.96 1.41 1 51 ALA -0.24 -1.38 1 52 THR -0.75 0.58 1 53 VAL -0.66 -1.66 1 54 ILE -1.47 -0.10 1 55 PHE 0.55 -1.92 1 56 THR -4.59 2.00 1 58 THR 0.75 -2.05 1 61 ILE -4.23 1.13 1 63 GLU -5.22 1.92 1 64 LEU -7.24 3.71 1 66 LEU -1.08 -1.51 1 67 LYS -1.29 -0.81 1 69 ALA 2.75 -0.13 1 70 SER 3.87 -1.78 1 71 THR -0.11 -0.47 1 72 TRP 0.96 -0.75 1 76 GLU -5.64 2.47 1 77 VAL -1.93 -0.49 1 78 TYR -4.51 2.37 1 79 GLU -3.43 0.70 1 81 ASP 0.38 -1.15 1 82 LYS -0.46 -0.82 1 83 LYS 1.83 -1.75 1 84 LEU 0.26 -1.79 1 86 VAL -1.35 -0.10 1 87 GLU -5.01 1.78 1 88 LEU 0.22 -1.85 1 89 VAL 0.54 -1.77 1 90 SER 1.08 -1.55 1 91 TYR -4.94 1.78 1 92 ASP -1.93 -0.58 1 93 SER 3.15 -1.60 1 94 ASP 1.69 -0.11 1 95 LYS 1.05 -2.14 1 96 ASP 3.29 -2.87 1 97 TYR -6.25 0.02 1 99 TYR -0.28 -0.72 1 100 ILE -5.29 1.08 1 101 ARG -5.95 3.15 1 102 PHE -1.53 -1.28 1 104 VAL -5.68 1.22 1 105 SER 1.18 -1.50 1 106 ASN 2.18 -0.72 1 108 THR 4.41 -1.15 1 109 ARG -1.65 0.88 1 110 GLU -4.48 1.25 1 111 VAL -4.25 1.17 1 112 LYS -2.71 0.41 1 113 ILE -3.97 1.02 1 118 GLU -3.05 1.55 1 119 TYR -1.55 -0.28 1 121 GLU 1.49 -2.34 1 122 ASN 1.57 -1.28 1 123 ILE 2.29 -2.98 1 124 HIS -1.54 0.41 1 125 GLU -3.36 1.30 1 126 ASP -1.58 0.86 1 132 MET -0.29 -1.14 1 133 VAL -0.69 -1.13 1 134 PHE 0.62 0.33 1 135 ALA 1.43 -0.18 1 136 GLN -2.34 0.30 1 139 THR -3.70 0.53 1 140 ASN -2.03 -0.06 1 141 ASN -3.22 0.07 1 143 ASP 3.08 -2.25 1 144 ASP 2.71 -2.31 1 145 TYR -2.77 0.61 1 146 VAL 0.51 -1.69 1 147 ASP -0.95 -1.00 1 148 GLU 4.27 -1.65 1 150 THR 6.92 -2.91 1 151 TYR 4.31 -1.14 1 152 ASN 3.75 -1.67 1 153 LEU 4.57 -2.30 1 154 GLN 5.59 -3.19 1 155 LYS 4.29 -2.54 1 156 LEU 2.77 -1.49 1 157 LEU -0.36 -0.75 1 158 ALA 9.40 -3.63 1 160 TYR 3.76 -1.83 1 161 HIS 2.38 -0.77 1 162 LYS 0.93 -1.40 1 163 ALA 0.98 -1.33 1 165 THR -3.51 -0.28 1 166 LEU 3.32 -0.83 1 167 GLU 6.74 -2.32 1 168 ARG 2.43 -2.60 1 169 GLN 6.28 -1.66 1 170 VAL 7.66 -2.84 1 171 TYR 4.03 -1.45 1 172 GLU 2.12 -2.25 1 173 LEU 2.03 -0.18 1 174 GLU 4.49 -1.88 1 175 LYS 3.74 -2.47 1 176 LEU 2.47 -1.38 1 177 GLN 4.12 -1.75 1 178 GLU 0.88 -1.16 1 179 LYS -1.85 0.85 1 180 LEU -0.28 -0.02 1 182 GLU 4.35 -1.67 1 183 LYS 4.07 -2.54 1 184 TYR -1.59 1.20 1 185 LYS 5.62 -1.35 1 186 ALA 5.39 -2.82 1 187 GLU 3.64 -2.15 1 188 TYR 6.17 -2.01 1 189 LYS 5.12 -2.70 1 190 LYS 5.55 -3.04 1 191 LYS 4.35 -2.47 1 192 LEU 5.88 -3.02 1 193 ASP 5.34 -2.31 1 194 GLN 4.24 -2.28 1 195 THR 6.56 -2.36 1 196 ARG 6.36 -2.02 1 197 VAL 6.02 -2.56 1 198 GLU 3.69 -1.60 1 199 LEU 4.90 -3.03 1 200 ALA 4.50 -2.64 1 201 ASP 3.38 -1.25 1 202 GLN 3.01 0.55 1 203 VAL 4.70 -2.09 1 204 LYS 4.49 -1.93 1 205 SER 3.92 -1.85 1 206 ALA 4.53 -1.90 1 207 VAL 6.17 -2.33 1 208 THR 2.77 -1.78 1 209 GLU -1.06 0.72 1 210 PHE 1.00 2.04 1 211 GLU 4.85 -0.41 1 212 ASN -0.70 -1.33 1 213 VAL -1.19 -0.61 1 214 THR 0.89 -1.39 1 216 THR 2.65 -1.73 1 217 ASN 3.26 -2.76 1 218 ASP -0.35 1.27 1 219 GLN -0.09 -1.82 1 220 LEU 0.29 -1.80 1 221 THR -3.22 0.68 1 222 ASP 2.62 -2.91 1 223 LEU 2.20 -1.64 1 224 GLN -3.70 1.42 1 225 GLU 1.92 -1.04 1 226 ALA -5.46 2.20 1 227 HIS 1.57 -2.02 1 228 PHE -5.37 2.15 1 229 VAL -4.87 1.83 1 230 VAL 2.16 -2.90 1 231 PHE -5.75 1.42 1 232 GLU -0.61 0.02 1 233 SER 4.18 -1.00 1 234 GLU -1.94 0.94 1 235 GLU -2.67 0.46 1 236 ASN 2.15 -4.24 1 237 SER -3.28 0.70 1 238 GLU 3.67 -2.16 1 239 SER -0.60 -1.40 1 240 VAL 5.18 -2.91 1 241 MET 2.75 -3.44 1 242 ASP 2.68 0.64 1 244 PHE 1.22 -1.31 1 245 VAL -4.25 0.65 1 246 GLU -0.61 -0.97 1 247 HIS 0.27 -0.16 1 249 PHE -1.24 -0.59 1 250 TYR -4.48 2.91 1 251 THR -3.42 1.43 1 252 ALA -6.87 4.85 1 253 THR -1.11 -0.29 1 254 LEU -1.46 0.47 1 255 ASN 3.31 -2.50 1 257 GLN -3.55 0.67 1 258 LYS -1.30 -0.27 1 259 TYR -2.70 2.33 1 260 VAL 2.80 -3.39 1 261 VAL -1.73 -1.15 1 262 MET -7.08 3.92 1 263 LYS -3.71 0.36 1 264 THR -2.46 0.54 1 265 LYS -3.17 0.92 1 267 ASP 3.11 0.60 1 268 SER 3.73 -2.17 1 269 TYR 0.40 -1.88 1 270 TRP 2.69 -1.88 1 271 LYS -0.24 -1.41 1 272 ASP -2.62 1.21 1 273 LEU 0.92 -0.64 1 274 ILE -2.40 0.57 1 275 VAL -0.10 -1.10 1 276 GLU 3.65 -3.99 1 278 LYS -3.28 0.49 1 279 ARG 4.53 -3.01 1 280 VAL 1.26 -2.25 1 281 THR 0.06 -0.26 1 282 THR 3.62 -2.05 1 283 VAL 0.85 -1.33 1 284 SER -2.39 0.69 1 285 LYS -2.13 1.63 1 286 ASP -2.66 -0.27 1 288 LYS 4.24 -2.52 1 289 ASN -0.54 -0.69 1 291 SER -4.19 1.69 1 292 ARG -3.86 1.15 1 293 THR 1.25 -1.70 1 294 LEU -5.12 2.24 1 295 ILE -5.98 2.40 1 296 PHE -0.88 -1.00 1 298 TYR -1.11 -0.68 1 299 ILE -1.11 -1.67 1 301 ASP 1.80 -2.25 1 302 LYS -0.35 -0.73 1 303 ALA 1.19 -0.18 1 304 VAL -1.27 0.02 1 305 TYR -0.87 -1.92 1 306 ASN 0.25 1.11 1 307 ALA -5.76 2.76 1 308 ILE -2.67 0.31 1 309 VAL -4.16 0.64 1 311 VAL -6.23 2.11 1 312 VAL 1.46 -1.70 1 313 VAL 0.80 -2.31 1 314 ALA 2.42 -1.44 1 315 ASN 2.72 -1.84 1 316 ILE 0.77 -1.25 1 318 ALA -2.38 0.36 1 319 GLU -1.14 -0.30 1 321 GLN 0.01 -1.77 1 322 TYR -3.90 1.72 1 323 HIS -2.04 2.14 1 324 VAL -5.93 1.24 1 325 ARG -2.78 0.13 1 326 ILE 2.18 -2.28 1 327 ILE -1.54 -0.88 1 328 ASN -0.80 -1.75 1 329 GLN 1.83 -1.16 1 330 ASP 1.87 -1.52 1 331 ILE 0.47 -2.78 1 332 ASN 0.08 -0.71 1 333 THR 0.23 -1.13 1 334 LYS 0.34 -1.33 1 335 ASP -0.07 -0.68 1 336 ASP 0.72 -0.04 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17820_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.24 _LACS_plot.Line_1_terminator_val_y_1 -2.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.03 _LACS_plot.Line_2_terminator_val_x_2 9.40 _LACS_plot.Line_2_terminator_val_y_2 2.67 _LACS_plot.Y_axis_chem_shift_offset 0.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 273 LEU 0.92 -4.22 0 158 ALA 9.40 0.90 0 172 GLU 2.12 4.71 0 10 ILE 5.44 -2.57 0 336 ASP 0.72 4.40 0 11 LYS 1.07 0.01 1 12 ASN -1.12 0.67 1 14 ALA 2.12 1.25 1 15 ILE -3.02 0.40 1 16 ILE 5.44 -0.30 1 17 ASP 3.96 -1.44 1 18 LYS -1.05 1.21 1 19 GLU 1.97 -0.71 1 20 HIS 0.27 -1.03 1 21 THR 0.24 -1.19 1 22 ALA -4.16 -1.53 1 23 ASP 2.59 0.08 1 24 ASN -1.43 -2.49 1 25 TRP -4.56 -0.35 1 26 ARG -4.53 -2.01 1 28 ILE -5.47 -3.73 1 29 ASP -0.45 -0.86 1 30 PHE -4.02 -2.30 1 31 GLN -4.95 -1.30 1 36 LYS 0.29 0.48 1 38 GLU -3.01 -1.11 1 39 ARG 1.84 -0.71 1 48 VAL 1.68 -1.86 1 49 GLU -3.96 0.39 1 51 ALA -0.24 -1.07 1 52 THR -0.75 -2.34 1 53 VAL -0.66 -2.93 1 54 ILE -1.47 -1.86 1 55 PHE 0.55 1.06 1 56 THR -4.59 1.46 1 58 THR 0.75 -0.77 1 61 ILE -4.23 -2.50 1 62 ILE -1.39 -1.40 1 63 GLU -5.22 -2.60 1 64 LEU -7.24 -2.95 1 66 LEU -1.08 -0.98 1 67 LYS -1.29 -0.16 1 69 ALA 2.75 0.05 1 71 THR -0.11 0.08 1 72 TRP 0.96 -0.72 1 76 GLU -5.64 -2.07 1 77 VAL -1.93 -2.93 1 78 TYR -4.51 -0.33 1 79 GLU -3.43 0.31 1 81 ASP 0.38 -0.58 1 82 LYS -0.46 -2.11 1 83 LYS 1.83 -0.11 1 84 LEU 0.26 -0.76 1 86 VAL -1.35 -0.53 1 87 GLU -5.01 -1.48 1 88 LEU 0.22 -1.53 1 89 VAL 0.54 -0.91 1 90 SER 1.08 -2.36 1 91 TYR -4.94 -3.09 1 92 ASP -1.93 -0.31 1 93 SER 3.15 1.45 1 94 ASP 1.69 1.39 1 95 LYS 1.05 -0.26 1 96 ASP 3.29 -1.07 1 97 TYR -6.25 -0.99 1 99 TYR -0.28 -1.48 1 101 ARG -5.95 0.00 1 102 PHE -1.53 -3.18 1 104 VAL -5.68 -0.64 1 105 SER 1.18 0.95 1 106 ASN 2.18 1.84 1 108 THR 4.41 -1.34 1 111 VAL -4.25 -3.11 1 112 LYS -2.71 -2.10 1 118 GLU -3.05 -2.14 1 121 GLU 1.49 -0.25 1 122 ASN 1.57 -0.80 1 123 ILE 2.29 -1.43 1 124 HIS -1.54 -0.30 1 125 GLU -3.36 -2.55 1 126 ASP -1.58 -1.46 1 132 MET -0.29 -2.73 1 133 VAL -0.69 1.38 1 134 PHE 0.62 1.06 1 135 ALA 1.43 -1.11 1 138 ILE 2.40 -0.13 1 139 THR -3.70 1.11 1 140 ASN -2.03 -1.32 1 141 ASN -3.22 -0.17 1 143 ASP 3.08 0.52 1 144 ASP 2.71 -1.31 1 145 TYR -2.77 0.33 1 146 VAL 0.51 -0.62 1 147 ASP -0.95 -1.04 1 148 GLU 4.27 1.09 1 151 TYR 4.31 2.11 1 154 GLN 5.59 3.54 1 155 LYS 4.29 3.34 1 156 LEU 2.77 1.27 1 157 LEU -0.36 -1.34 1 161 HIS 2.38 2.34 1 162 LYS 0.93 -0.56 1 163 ALA 0.98 0.32 1 165 THR -3.51 0.09 1 166 LEU 3.32 1.46 1 167 GLU 6.74 3.12 1 168 ARG 2.43 2.32 1 169 GLN 6.28 2.42 1 170 VAL 7.66 0.47 1 171 TYR 4.03 2.40 1 173 LEU 2.03 2.56 1 175 LYS 3.74 2.58 1 176 LEU 2.47 0.96 1 177 GLN 4.12 1.07 1 178 GLU 0.88 0.59 1 179 LYS -1.85 0.02 1 180 LEU -0.28 -1.09 1 182 GLU 4.35 1.89 1 183 LYS 4.07 0.10 1 184 TYR -1.59 0.12 1 185 LYS 5.62 2.39 1 186 ALA 5.39 3.29 1 187 GLU 3.64 2.63 1 188 TYR 6.17 2.37 1 189 LYS 5.12 1.40 1 190 LYS 5.55 2.84 1 191 LYS 4.35 3.21 1 192 LEU 5.88 -0.76 1 193 ASP 5.34 3.10 1 194 GLN 4.24 2.84 1 196 ARG 6.36 3.41 1 197 VAL 6.02 1.50 1 198 GLU 3.69 3.58 1 199 LEU 4.90 -0.52 1 200 ALA 4.50 3.29 1 201 ASP 3.38 2.53 1 202 GLN 3.01 2.30 1 203 VAL 4.70 2.83 1 204 LYS 4.49 3.78 1 205 SER 3.92 1.40 1 206 ALA 4.53 2.39 1 207 VAL 6.17 1.26 1 208 THR 2.77 2.04 1 209 GLU -1.06 0.35 1 210 PHE 1.00 0.77 1 211 GLU 4.85 0.66 1 212 ASN -0.70 -0.72 1 214 THR 0.89 -0.65 1 216 THR 2.65 1.82 1 217 ASN 3.26 -0.24 1 219 GLN -0.09 -1.40 1 220 LEU 0.29 -0.86 1 221 THR -3.22 -1.58 1 222 ASP 2.62 -1.64 1 223 LEU 2.20 1.36 1 224 GLN -3.70 -1.09 1 225 GLU 1.92 -1.61 1 226 ALA -5.46 -2.60 1 227 HIS 1.57 -2.59 1 228 PHE -5.37 -0.53 1 229 VAL -4.87 -3.47 1 230 VAL 2.16 -0.83 1 231 PHE -5.75 1.03 1 232 GLU -0.61 -0.43 1 234 GLU -1.94 -0.84 1 235 GLU -2.67 -0.30 1 237 SER -3.28 -2.27 1 238 GLU 3.67 0.46 1 239 SER -0.60 3.26 1 240 VAL 5.18 1.71 1 241 MET 2.75 2.61 1 244 PHE 1.22 -2.50 1 245 VAL -4.25 -1.62 1 246 GLU -0.61 -0.69 1 247 HIS 0.27 0.55 1 249 PHE -1.24 -1.79 1 250 TYR -4.48 0.34 1 251 THR -3.42 -1.10 1 252 ALA -6.87 -1.96 1 253 THR -1.11 -1.10 1 254 LEU -1.46 -1.07 1 255 ASN 3.31 0.36 1 257 GLN -3.55 -2.71 1 258 LYS -1.30 -0.58 1 259 TYR -2.70 -1.17 1 260 VAL 2.80 -2.77 1 261 VAL -1.73 -1.90 1 262 MET -7.08 -3.05 1 263 LYS -3.71 0.20 1 264 THR -2.46 -0.17 1 265 LYS -3.17 -1.56 1 267 ASP 3.11 2.14 1 269 TYR 0.40 0.36 1 270 TRP 2.69 0.24 1 271 LYS -0.24 -0.93 1 272 ASP -2.62 -1.83 1 274 ILE -2.40 -0.31 1 275 VAL -0.10 -0.24 1 276 GLU 3.65 0.03 1 278 LYS -3.28 -0.68 1 279 ARG 4.53 0.45 1 280 VAL 1.26 -0.86 1 281 THR 0.06 -0.36 1 282 THR 3.62 -1.23 1 283 VAL 0.85 -0.47 1 284 SER -2.39 -2.17 1 285 LYS -2.13 -2.46 1 286 ASP -2.66 -0.04 1 288 LYS 4.24 1.00 1 289 ASN -0.54 -1.11 1 291 SER -4.19 -2.01 1 292 ARG -3.86 -2.86 1 293 THR 1.25 -1.93 1 294 LEU -5.12 -4.01 1 295 ILE -5.98 -0.50 1 296 PHE -0.88 -2.11 1 298 TYR -1.11 -1.38 1 299 ILE -1.11 -0.47 1 301 ASP 1.80 -2.10 1 302 LYS -0.35 -1.82 1 303 ALA 1.19 -1.80 1 304 VAL -1.27 -2.35 1 305 TYR -0.87 -0.17 1 306 ASN 0.25 -0.77 1 307 ALA -5.76 -3.28 1 308 ILE -2.67 -1.83 1 309 VAL -4.16 -2.60 1 311 VAL -6.23 -1.70 1 312 VAL 1.46 -1.46 1 313 VAL 0.80 0.20 1 314 ALA 2.42 0.78 1 315 ASN 2.72 0.28 1 316 ILE 0.77 0.27 1 318 ALA -2.38 -1.55 1 319 GLU -1.14 -0.58 1 321 GLN 0.01 -1.63 1 322 TYR -3.90 -1.11 1 323 HIS -2.04 0.41 1 324 VAL -5.93 -3.31 1 325 ARG -2.78 -1.83 1 326 ILE 2.18 -1.15 1 327 ILE -1.54 -0.93 1 328 ASN -0.80 1.21 1 329 GLN 1.83 0.59 1 330 ASP 1.87 -0.34 1 331 ILE 0.47 -1.18 1 332 ASN 0.08 -0.09 1 333 THR 0.23 -0.54 1 334 LYS 0.34 -0.68 1 335 ASP -0.07 -1.41 1 stop_ save_