| Chain sequence(s) |
A: MAKTPSDHLLSTLEELVPYDFEKFKFKLQNTSVQKEHSRIPRSQIQRARPVKMATLLVTYYGEEYAVQLTLQVLRAINQRLLAEELHRAAIQEYSTQENGTDDSAASSSLGENKPRSLKTPDHPEGNEGNGPRPYGGGAASLRCSQPEAGRGLSRKPLSKRREKASEGLDAQGKPRTRSPALPGGRSPGPCRALEGGQAEVRLRRNASSAGRLQGLAGGAPGQKECRPFEVYLPSGKMRPRSLEVTISTGEKAPANPEILLTLEEKTAANLDSATEPRARPTPDGGASADLKEGPGNPEHSVTGRPPDTAASPRCHAQEGDPVDGTCVRDSCSFPEAVSGHPQASGSRSPGCPRCQDSHERKSPGSLSPQPLPQCKRHLKQVQLLFCEDHDEPICLICSLSQEHQGHRVRPIEEVALEHKKKIQKQLEHLKKLRKSGEEQRSYGEEKAVSFLKQTEALKQRVQRKLEQVYYFLEQQEHFFVASLEDVGQMVGQIRKAYDTRVSQDIALLDALIGELEAKECQSEWELLQDIGDILHRAKTVPVPEKWTTPQEIKQKIQLLHQKSEFVEKSTKYFSETLRSEMEMFNVPELIGAQAHAVNVILDAETAYPNLIFSDDLKSVRLGNKWERLPDGPQRFDSCIIVLGSPSFLSGRRYWEVEVGDKTAWILGACKTSISRKGNMTLSPENGYWVVIMMKENEYQASSVPPTRLLIKEPPKRVGIFVDYRVGSISFYNVTARSHIYTFASCSFSGPLQPIFSPGTRDGGKNTAPLTICPVGGQGPD
C: MAKTPSDHLLSTLEELVPYDFEKFKFKLQNTSVQKEHSRIPRSQIQRARPVKMATLLVTYYGEEYAVQLTLQVLRAINQRLLAEELHRAAIQEYSTQENGTDDSAASSSLGENKPRSLKTPDHPEGNEGNGPRPYGGGAASLRCSQPEAGRGLSRKPLSKRREKASEGLDAQGKPRTRSPALPGGRSPGPCRALEGGQAEVRLRRNASSAGRLQGLAGGAPGQKECRPFEVYLPSGKMRPRSLEVTISTGEKAPANPEILLTLEEKTAANLDSATEPRARPTPDGGASADLKEGPGNPEHSVTGRPPDTAASPRCHAQEGDPVDGTCVRDSCSFPEAVSGHPQASGSRSPGCPRCQDSHERKSPGSLSPQPLPQCKRHLKQVQLLFCEDHDEPICLICSLSQEHQGHRVRPIEEVALEHKKKIQKQLEHLKKLRKSGEEQRSYGEEKAVSFLKQTEALKQRVQRKLEQVYYFLEQQEHFFVASLEDVGQMVGQIRKAYDTRVSQDIALLDALIGELEAKECQSEWELLQDIGDILHRAKTVPVPEKWTTPQEIKQKIQLLHQKSEFVEKSTKYFSETLRSEMEMFNVPELIGAQAHAVNVILDAETAYPNLIFSDDLKSVRLGNKWERLPDGPQRFDSCIIVLGSPSFLSGRRYWEVEVGDKTAWILGACKTSISRKGNMTLSPENGYWVVIMMKENEYQASSVPPTRLLIKEPPKRVGIFVDYRVGSISFYNVTARSHIYTFASCSFSGPLQPIFSPGTRDGGKNTAPLTICPVGGQGPD B: MAKTPSDHLLSTLEELVPYDFEKFKFKLQNTSVQKEHSRIPRSQIQRARPVKMATLLVTYYGEEYAVQLTLQVLRAINQRLLAEELHRAAIQEYSTQENGTDDSAASSSLGENKPRSLKTPDHPEGNEGNGPRPYGGGAASLRCSQPEAGRGLSRKPLSKRREKASEGLDAQGKPRTRSPALPGGRSPGPCRALEGGQAEVRLRRNASSAGRLQGLAGGAPGQKECRPFEVYLPSGKMRPRSLEVTISTGEKAPANPEILLTLEEKTAANLDSATEPRARPTPDGGASADLKEGPGNPEHSVTGRPPDTAASPRCHAQEGDPVDGTCVRDSCSFPEAVSGHPQASGSRSPGCPRCQDSHERKSPGSLSPQPLPQCKRHLKQVQLLFCEDHDEPICLICSLSQEHQGHRVRPIEEVALEHKKKIQKQLEHLKKLRKSGEEQRSYGEEKAVSFLKQTEALKQRVQRKLEQVYYFLEQQEHFFVASLEDVGQMVGQIRKAYDTRVSQDIALLDALIGELEAKECQSEWELLQDIGDILHRAKTVPVPEKWTTPQEIKQKIQLLHQKSEFVEKSTKYFSETLRSEMEMFNVPELIGAQAHAVNVILDAETAYPNLIFSDDLKSVRLGNKWERLPDGPQRFDSCIIVLGSPSFLSGRRYWEVEVGDKTAWILGACKTSISRKGNMTLSPENGYWVVIMMKENEYQASSVPPTRLLIKEPPKRVGIFVDYRVGSISFYNVTARSHIYTFASCSFSGPLQPIFSPGTRDGGKNTAPLTICPVGGQGPD input PDB |
| Selected Chain(s) | A,B,C |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:09)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:09)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:09)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:09)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:19)
[INFO] FoldX: Starting FoldX energy minimization (00:00:19)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:54:43)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/df2ba597e42b898/tmp/folded.pdb (00:54:44)
[INFO] Main: Simulation completed successfully. (01:40:21)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 0.5919 | |
| 2 | A | A | -0.4106 | |
| 3 | K | A | -1.7364 | |
| 4 | T | A | -1.0925 | |
| 5 | P | A | -1.2059 | |
| 6 | S | A | -1.0519 | |
| 7 | D | A | -1.4081 | |
| 8 | H | A | -1.4140 | |
| 9 | L | A | 0.0000 | |
| 10 | L | A | -0.9585 | |
| 11 | S | A | -1.4990 | |
| 12 | T | A | 0.0000 | |
| 13 | L | A | 0.0000 | |
| 14 | E | A | -2.8215 | |
| 15 | E | A | -2.5520 | |
| 16 | L | A | 0.0000 | |
| 17 | V | A | -0.3885 | |
| 18 | P | A | -0.7294 | |
| 19 | Y | A | 0.0000 | |
| 20 | D | A | 0.0000 | |
| 21 | F | A | 0.0000 | |
| 22 | E | A | 0.0000 | |
| 23 | K | A | -0.6670 | |
| 24 | F | A | 0.0000 | |
| 25 | K | A | 0.0000 | |
| 26 | F | A | -0.9730 | |
| 27 | K | A | -1.1280 | |
| 28 | L | A | 0.0000 | |
| 29 | Q | A | 0.0000 | |
| 30 | N | A | -1.1634 | |
| 31 | T | A | -0.9212 | |
| 32 | S | A | -1.0433 | |
| 33 | V | A | -1.6436 | |
| 34 | Q | A | -2.7625 | |
| 35 | K | A | -3.4032 | |
| 36 | E | A | -3.2780 | |
| 37 | H | A | -2.3052 | |
| 38 | S | A | -1.8158 | |
| 39 | R | A | -2.3716 | |
| 40 | I | A | 0.0000 | |
| 41 | P | A | -1.4470 | |
| 42 | R | A | -2.3909 | |
| 43 | S | A | -1.7984 | |
| 44 | Q | A | -1.9992 | |
| 45 | I | A | 0.0000 | |
| 46 | Q | A | -2.4687 | |
| 47 | R | A | -3.0869 | |
| 48 | A | A | 0.0000 | |
| 49 | R | A | -2.9028 | |
| 50 | P | A | -2.0093 | |
| 51 | V | A | -1.0247 | |
| 52 | K | A | -1.8346 | |
| 53 | M | A | 0.0000 | |
| 54 | A | A | 0.0000 | |
| 55 | T | A | -0.6898 | |
| 56 | L | A | 0.0000 | |
| 57 | L | A | 0.0000 | |
| 58 | V | A | -0.3092 | |
| 59 | T | A | 0.0766 | |
| 60 | Y | A | -0.1183 | |
| 61 | Y | A | 0.0000 | |
| 62 | G | A | -0.8876 | |
| 63 | E | A | -1.6990 | |
| 64 | E | A | -2.3295 | |
| 65 | Y | A | -1.4207 | |
| 66 | A | A | 0.0000 | |
| 67 | V | A | 0.0000 | |
| 68 | Q | A | -2.0022 | |
| 69 | L | A | 0.0000 | |
| 70 | T | A | 0.0000 | |
| 71 | L | A | -1.9315 | |
| 72 | Q | A | -2.0703 | |
| 73 | V | A | 0.0000 | |
| 74 | L | A | 0.0000 | |
| 75 | R | A | -2.5503 | |
| 76 | A | A | -1.5151 | |
| 77 | I | A | -1.0998 | |
| 78 | N | A | -1.1330 | |
| 79 | Q | A | -0.9767 | |
| 80 | R | A | -1.6742 | |
| 81 | L | A | -0.2660 | |
| 82 | L | A | -1.4341 | |
| 83 | A | A | -2.3337 | |
| 84 | E | A | -3.1390 | |
| 85 | E | A | -2.8618 | |
| 86 | L | A | 0.0000 | |
| 87 | H | A | -2.5449 | |
| 88 | R | A | -3.0219 | |
| 89 | A | A | -2.0731 | |
| 90 | A | A | 0.0000 | |
| 91 | I | A | -0.2366 | |
| 92 | Q | A | -1.5371 | |
| 93 | E | A | -1.6691 | |
| 94 | Y | A | -1.2828 | |
| 95 | S | A | -1.5149 | |
| 96 | T | A | -2.3394 | |
| 97 | Q | A | -3.1427 | |
| 98 | E | A | -4.0505 | |
| 99 | N | A | -4.0442 | |
| 100 | G | A | -3.3283 | |
| 101 | T | A | -3.1227 | |
| 102 | D | A | -4.0406 | |
| 103 | D | A | -3.7563 | |
| 104 | S | A | -2.0586 | |
| 105 | A | A | -1.6089 | |
| 106 | A | A | -1.2101 | |
| 107 | S | A | -0.8211 | |
| 108 | S | A | -0.3036 | |
| 109 | S | A | 0.0076 | |
| 110 | L | A | 0.4365 | |
| 111 | G | A | -1.3414 | |
| 112 | E | A | -2.8811 | |
| 113 | N | A | -3.2121 | |
| 114 | K | A | -3.6465 | |
| 115 | P | A | -2.4158 | |
| 116 | R | A | -2.5455 | |
| 117 | S | A | -1.1671 | |
| 118 | L | A | -0.0336 | |
| 119 | K | A | -1.5845 | |
| 120 | T | A | -1.2447 | |
| 121 | P | A | -1.6679 | |
| 122 | D | A | -2.6884 | |
| 123 | H | A | -2.4489 | |
| 124 | P | A | -2.2691 | |
| 125 | E | A | -2.6688 | |
| 126 | G | A | -2.5067 | |
| 127 | N | A | -2.9028 | |
| 128 | E | A | -3.1032 | |
| 129 | G | A | -2.5014 | |
| 130 | N | A | -2.2033 | |
| 131 | G | A | -1.7780 | |
| 132 | P | A | -1.7700 | |
| 133 | R | A | -1.8958 | |
| 134 | P | A | -0.7026 | |
| 135 | Y | A | 0.4293 | |
| 136 | G | A | -0.2509 | |
| 137 | G | A | -0.6639 | |
| 138 | G | A | -0.7601 | |
| 139 | A | A | -0.2879 | |
| 140 | A | A | 0.2416 | |
| 141 | S | A | 0.1910 | |
| 142 | L | A | 0.7305 | |
| 143 | R | A | -0.8094 | |
| 144 | C | A | -0.1948 | |
| 145 | S | A | -0.9240 | |
| 146 | Q | A | -1.6504 | |
| 147 | P | A | -1.8423 | |
| 148 | E | A | -2.2709 | |
| 149 | A | A | -1.6427 | |
| 150 | G | A | -1.8904 | |
| 151 | R | A | -1.9686 | |
| 152 | G | A | -0.8950 | |
| 153 | L | A | 0.3813 | |
| 154 | S | A | -0.9266 | |
| 155 | R | A | -2.5195 | |
| 156 | K | A | -2.4261 | |
| 157 | P | A | -0.8558 | |
| 158 | L | A | 0.5050 | |
| 159 | S | A | -0.9723 | |
| 160 | K | A | -3.0005 | |
| 161 | R | A | -4.1319 | |
| 162 | R | A | -4.6179 | |
| 163 | E | A | -4.2599 | |
| 164 | K | A | -3.1683 | |
| 165 | A | A | -1.8352 | |
| 166 | S | A | -1.6208 | |
| 167 | E | A | -2.1739 | |
| 168 | G | A | -1.0548 | |
| 169 | L | A | -0.0975 | |
| 170 | D | A | -1.6616 | |
| 171 | A | A | -1.3870 | |
| 172 | Q | A | -2.1841 | |
| 173 | G | A | -2.3634 | |
| 174 | K | A | -2.8131 | |
| 175 | P | A | -2.4386 | |
| 176 | R | A | -2.8596 | |
| 177 | T | A | -2.0076 | |
| 178 | R | A | -2.4193 | |
| 179 | S | A | -1.3695 | |
| 180 | P | A | -0.4047 | |
| 181 | A | A | 0.6172 | |
| 182 | L | A | 1.2871 | |
| 183 | P | A | 0.2094 | |
| 184 | G | A | -0.8726 | |
| 185 | G | A | -1.7257 | |
| 186 | R | A | -2.3468 | |
| 187 | S | A | -1.5771 | |
| 188 | P | A | -1.0086 | |
| 189 | G | A | -0.5897 | |
| 190 | P | A | -0.5993 | |
| 191 | C | A | -0.4390 | |
| 192 | R | A | -1.3281 | |
| 193 | A | A | -0.3965 | |
| 194 | L | A | 0.0571 | |
| 195 | E | A | -1.5023 | |
| 196 | G | A | -1.5160 | |
| 197 | G | A | -1.6815 | |
| 198 | Q | A | -1.8830 | |
| 199 | A | A | -1.2462 | |
| 200 | E | A | -1.6216 | |
| 201 | V | A | 0.1276 | |
| 202 | R | A | -1.3020 | |
| 203 | L | A | -0.2721 | |
| 204 | R | A | -2.6706 | |
| 205 | R | A | -3.3148 | |
| 206 | N | A | -2.6512 | |
| 207 | A | A | -1.1201 | |
| 208 | S | A | -0.6274 | |
| 209 | S | A | -0.7470 | |
| 210 | A | A | -0.5978 | |
| 211 | G | A | -1.1140 | |
| 212 | R | A | -1.6734 | |
| 213 | L | A | -0.0166 | |
| 214 | Q | A | -0.7828 | |
| 215 | G | A | -0.1162 | |
| 216 | L | A | 1.0371 | |
| 217 | A | A | 0.1839 | |
| 218 | G | A | -0.3242 | |
| 219 | G | A | -0.5901 | |
| 220 | A | A | -0.6767 | |
| 221 | P | A | -1.1335 | |
| 222 | G | A | -1.8759 | |
| 223 | Q | A | -2.7459 | |
| 224 | K | A | -3.3846 | |
| 225 | E | A | -3.2963 | |
| 226 | C | A | -1.4241 | |
| 227 | R | A | -2.1426 | |
| 228 | P | A | -0.5101 | |
| 229 | F | A | 1.2994 | |
| 230 | E | A | 0.1715 | |
| 231 | V | A | 2.2669 | |
| 232 | Y | A | 2.1707 | |
| 233 | L | A | 1.2609 | |
| 234 | P | A | 0.2386 | |
| 235 | S | A | -0.5183 | |
| 236 | G | A | -1.3479 | |
| 237 | K | A | -2.1192 | |
| 238 | M | A | -1.2112 | |
| 239 | R | A | -2.4804 | |
| 240 | P | A | -1.6905 | |
| 241 | R | A | -2.2812 | |
| 242 | S | A | -1.5202 | |
| 243 | L | A | -0.5306 | |
| 244 | E | A | -1.4542 | |
| 245 | V | A | -0.0225 | |
| 246 | T | A | -0.0079 | |
| 247 | I | A | 0.9495 | |
| 248 | S | A | -0.0966 | |
| 249 | T | A | -0.8362 | |
| 250 | G | A | -1.7748 | |
| 251 | E | A | -2.9785 | |
| 252 | K | A | -2.7961 | |
| 253 | A | A | -1.7021 | |
| 254 | P | A | -1.4258 | |
| 255 | A | A | -1.2693 | |
| 256 | N | A | -1.6697 | |
| 257 | P | A | -0.9274 | |
| 258 | E | A | -0.6017 | |
| 259 | I | A | 2.0863 | |
| 260 | L | A | 2.8334 | |
| 261 | L | A | 2.8505 | |
| 262 | T | A | 1.4642 | |
| 263 | L | A | 0.5332 | |
| 264 | E | A | -2.2323 | |
| 265 | E | A | -3.1304 | |
| 266 | K | A | -2.8773 | |
| 267 | T | A | -1.4627 | |
| 268 | A | A | -1.0905 | |
| 269 | A | A | -0.4144 | |
| 270 | N | A | -0.8893 | |
| 271 | L | A | -0.0335 | |
| 272 | D | A | -1.3836 | |
| 273 | S | A | -0.7539 | |
| 274 | A | A | -0.8679 | |
| 275 | T | A | -1.1466 | |
| 276 | E | A | -2.3579 | |
| 277 | P | A | -2.0921 | |
| 278 | R | A | -2.7320 | |
| 279 | A | A | -1.9191 | |
| 280 | R | A | -2.3735 | |
| 281 | P | A | -1.2793 | |
| 282 | T | A | -1.1420 | |
| 283 | P | A | -1.4535 | |
| 284 | D | A | -2.2769 | |
| 285 | G | A | -1.6450 | |
| 286 | G | A | -1.1422 | |
| 287 | A | A | -0.3807 | |
| 288 | S | A | -0.6390 | |
| 289 | A | A | -0.6333 | |
| 290 | D | A | -1.4094 | |
| 291 | L | A | -0.7083 | |
| 292 | K | A | -2.2507 | |
| 293 | E | A | -2.6322 | |
| 294 | G | A | -2.0040 | |
| 295 | P | A | -1.4889 | |
| 296 | G | A | -1.5619 | |
| 297 | N | A | -2.2928 | |
| 298 | P | A | -2.1451 | |
| 299 | E | A | -2.8933 | |
| 300 | H | A | -1.8714 | |
| 301 | S | A | -0.3301 | |
| 302 | V | A | 1.0999 | |
| 303 | T | A | 0.0061 | |
| 304 | G | A | -1.1423 | |
| 305 | R | A | -2.2743 | |
| 306 | P | A | -1.8510 | |
| 307 | P | A | -1.9127 | |
| 308 | D | A | -2.2095 | |
| 309 | T | A | -1.0021 | |
| 310 | A | A | -0.4426 | |
| 311 | A | A | -0.5111 | |
| 312 | S | A | -0.7095 | |
| 313 | P | A | -1.1710 | |
| 314 | R | A | -1.9440 | |
| 315 | C | A | -0.9065 | |
| 316 | H | A | -1.7866 | |
| 317 | A | A | -1.5276 | |
| 318 | Q | A | -2.6020 | |
| 319 | E | A | -3.2932 | |
| 320 | G | A | -2.3678 | |
| 321 | D | A | -2.4181 | |
| 322 | P | A | -1.0321 | |
| 323 | V | A | 0.0345 | |
| 324 | D | A | -1.3683 | |
| 325 | G | A | -0.5584 | |
| 326 | T | A | 0.0178 | |
| 327 | C | A | 0.4887 | |
| 328 | V | A | 0.7454 | |
| 329 | R | A | -1.7087 | |
| 330 | D | A | -2.2191 | |
| 331 | S | A | -1.2986 | |
| 332 | C | A | 0.5194 | |
| 333 | S | A | 0.8295 | |
| 334 | F | A | 1.4790 | |
| 335 | P | A | -0.0388 | |
| 336 | E | A | -1.1379 | |
| 337 | A | A | -0.1823 | |
| 338 | V | A | 1.0689 | |
| 339 | S | A | 0.0050 | |
| 340 | G | A | -0.7749 | |
| 341 | H | A | -1.5102 | |
| 342 | P | A | -1.4692 | |
| 343 | Q | A | -1.7097 | |
| 344 | A | A | -0.9470 | |
| 345 | S | A | -1.0330 | |
| 346 | G | A | -1.2399 | |
| 347 | S | A | -1.4827 | |
| 348 | R | A | -2.3114 | |
| 349 | S | A | -1.3559 | |
| 350 | P | A | -0.9379 | |
| 351 | G | A | -0.8427 | |
| 352 | C | A | -0.0909 | |
| 353 | P | A | -0.9524 | |
| 354 | R | A | -2.1409 | |
| 355 | C | A | -1.5628 | |
| 356 | Q | A | -2.5763 | |
| 357 | D | A | -3.1259 | |
| 358 | S | A | -2.7934 | |
| 359 | H | A | -3.5531 | |
| 360 | E | A | -4.2165 | |
| 361 | R | A | -4.0606 | |
| 362 | K | A | -3.6801 | |
| 363 | S | A | -2.1705 | |
| 364 | P | A | -0.9224 | |
| 365 | G | A | -0.6306 | |
| 366 | S | A | 0.3237 | |
| 367 | L | A | 1.2558 | |
| 368 | S | A | 0.4427 | |
| 369 | P | A | -0.1701 | |
| 370 | Q | A | -0.2702 | |
| 371 | P | A | -0.4995 | |
| 372 | L | A | 0.0000 | |
| 373 | P | A | -1.0922 | |
| 374 | Q | A | -2.2693 | |
| 375 | C | A | 0.0000 | |
| 376 | K | A | -3.0153 | |
| 377 | R | A | -2.7614 | |
| 378 | H | A | -1.1934 | |
| 379 | L | A | -0.5914 | |
| 380 | K | A | -2.2969 | |
| 381 | Q | A | 0.0000 | |
| 382 | V | A | -0.6487 | |
| 383 | Q | A | 0.0000 | |
| 384 | L | A | 0.0000 | |
| 385 | L | A | 0.0000 | |
| 386 | F | A | 0.0000 | |
| 387 | C | A | 0.0000 | |
| 388 | E | A | -3.1195 | |
| 389 | D | A | -3.4362 | |
| 390 | H | A | -3.0757 | |
| 391 | D | A | -3.4003 | |
| 392 | E | A | -2.5948 | |
| 393 | P | A | -1.0184 | |
| 394 | I | A | 0.0000 | |
| 395 | C | A | 0.0000 | |
| 396 | L | A | 1.4552 | |
| 397 | I | A | 1.1436 | |
| 398 | C | A | 0.0000 | |
| 399 | S | A | 0.0000 | |
| 400 | L | A | 0.5477 | |
| 401 | S | A | -0.7973 | |
| 402 | Q | A | -2.3829 | |
| 403 | E | A | -2.5700 | |
| 404 | H | A | 0.0000 | |
| 405 | Q | A | -2.5598 | |
| 406 | G | A | -2.4900 | |
| 407 | H | A | -2.7897 | |
| 408 | R | A | -3.1457 | |
| 409 | V | A | 0.0000 | |
| 410 | R | A | 0.0000 | |
| 411 | P | A | 0.0000 | |
| 412 | I | A | 0.0000 | |
| 413 | E | A | 0.0000 | |
| 414 | E | A | -1.8654 | |
| 415 | V | A | 0.0000 | |
| 416 | A | A | 0.0000 | |
| 417 | L | A | 0.0000 | |
| 418 | E | A | -1.8885 | |
| 419 | H | A | 0.0000 | |
| 420 | K | A | 0.0000 | |
| 421 | K | A | -2.8997 | |
| 422 | K | A | -1.7152 | |
| 423 | I | A | 0.0000 | |
| 424 | Q | A | 0.0000 | |
| 425 | K | A | -2.2471 | |
| 426 | Q | A | -2.1144 | |
| 427 | L | A | 0.0000 | |
| 428 | E | A | -2.3264 | |
| 429 | H | A | -2.2410 | |
| 430 | L | A | 0.0000 | |
| 431 | K | A | 0.0000 | |
| 432 | K | A | -2.2605 | |
| 433 | L | A | -0.7373 | |
| 434 | R | A | 0.0000 | |
| 435 | K | A | -2.0302 | |
| 436 | S | A | -1.2484 | |
| 437 | G | A | 0.0000 | |
| 438 | E | A | 0.0000 | |
| 439 | E | A | -1.9517 | |
| 440 | Q | A | -2.0245 | |
| 441 | R | A | -2.2615 | |
| 442 | S | A | -1.7651 | |
| 443 | Y | A | -1.2177 | |
| 444 | G | A | 0.0000 | |
| 445 | E | A | -2.2773 | |
| 446 | E | A | -2.4658 | |
| 447 | K | A | -1.5505 | |
| 448 | A | A | 0.0000 | |
| 449 | V | A | -0.8521 | |
| 450 | S | A | -0.9486 | |
| 451 | F | A | 0.0000 | |
| 452 | L | A | 0.0000 | |
| 453 | K | A | -0.6604 | |
| 454 | Q | A | -0.7844 | |
| 455 | T | A | 0.0000 | |
| 456 | E | A | 0.0000 | |
| 457 | A | A | -0.4696 | |
| 458 | L | A | 0.0000 | |
| 459 | K | A | 0.0000 | |
| 460 | Q | A | -0.6997 | |
| 461 | R | A | -0.7923 | |
| 462 | V | A | 0.0000 | |
| 463 | Q | A | -1.1139 | |
| 464 | R | A | -1.1824 | |
| 465 | K | A | 0.0000 | |
| 466 | L | A | 0.0000 | |
| 467 | E | A | -1.4843 | |
| 468 | Q | A | 0.0000 | |
| 469 | V | A | 0.0000 | |
| 470 | Y | A | -0.6431 | |
| 471 | Y | A | -0.4790 | |
| 472 | F | A | 0.0000 | |
| 473 | L | A | 0.0000 | |
| 474 | E | A | -1.2158 | |
| 475 | Q | A | -0.9365 | |
| 476 | Q | A | 0.0000 | |
| 477 | E | A | -0.9259 | |
| 478 | H | A | -0.7408 | |
| 479 | F | A | -0.1935 | |
| 480 | F | A | 0.0000 | |
| 481 | V | A | -0.1219 | |
| 482 | A | A | -0.1795 | |
| 483 | S | A | 0.0000 | |
| 484 | L | A | 0.0000 | |
| 485 | E | A | -0.8377 | |
| 486 | D | A | -0.7444 | |
| 487 | V | A | 0.0000 | |
| 488 | G | A | -0.6373 | |
| 489 | Q | A | 0.0000 | |
| 490 | M | A | -0.3707 | |
| 491 | V | A | 0.0000 | |
| 492 | G | A | -0.2719 | |
| 493 | Q | A | 0.0000 | |
| 494 | I | A | -0.3174 | |
| 495 | R | A | -1.3992 | |
| 496 | K | A | -1.0363 | |
| 497 | A | A | 0.0000 | |
| 498 | Y | A | 0.0000 | |
| 499 | D | A | -1.4777 | |
| 500 | T | A | -0.7222 | |
| 501 | R | A | -0.9405 | |
| 502 | V | A | 0.0000 | |
| 503 | S | A | -0.9598 | |
| 504 | Q | A | -0.8479 | |
| 505 | D | A | 0.0000 | |
| 506 | I | A | 0.0000 | |
| 507 | A | A | -0.8850 | |
| 508 | L | A | 0.0000 | |
| 509 | L | A | 0.0000 | |
| 510 | D | A | -1.5424 | |
| 511 | A | A | -1.2533 | |
| 512 | L | A | 0.0000 | |
| 513 | I | A | 0.0000 | |
| 514 | G | A | -1.0483 | |
| 515 | E | A | 0.0000 | |
| 516 | L | A | 0.0000 | |
| 517 | E | A | -1.5583 | |
| 518 | A | A | -0.6983 | |
| 519 | K | A | 0.0000 | |
| 520 | E | A | -1.0198 | |
| 521 | C | A | -0.0023 | |
| 522 | Q | A | -0.3691 | |
| 523 | S | A | 0.0000 | |
| 524 | E | A | -1.4788 | |
| 525 | W | A | 0.0000 | |
| 526 | E | A | 0.0000 | |
| 527 | L | A | 0.0000 | |
| 528 | L | A | 0.0000 | |
| 529 | Q | A | 0.0000 | |
| 530 | D | A | 0.0000 | |
| 531 | I | A | 0.0000 | |
| 532 | G | A | -1.0165 | |
| 533 | D | A | -1.1960 | |
| 534 | I | A | 0.0000 | |
| 535 | L | A | -1.6182 | |
| 536 | H | A | -1.8537 | |
| 537 | R | A | -1.6409 | |
| 538 | A | A | 0.0000 | |
| 539 | K | A | -2.4462 | |
| 540 | T | A | -1.0721 | |
| 541 | V | A | 0.0000 | |
| 542 | P | A | 0.2169 | |
| 543 | V | A | 0.9176 | |
| 544 | P | A | 0.0000 | |
| 545 | E | A | -1.4698 | |
| 546 | K | A | -2.1548 | |
| 547 | W | A | 0.0000 | |
| 548 | T | A | -0.8188 | |
| 549 | T | A | -1.0572 | |
| 550 | P | A | -1.3690 | |
| 551 | Q | A | -2.4995 | |
| 552 | E | A | -2.6983 | |
| 553 | I | A | 0.0000 | |
| 554 | K | A | -2.5722 | |
| 555 | Q | A | -2.5189 | |
| 556 | K | A | -1.8390 | |
| 557 | I | A | 0.0000 | |
| 558 | Q | A | -1.6814 | |
| 559 | L | A | -1.0346 | |
| 560 | L | A | 0.0000 | |
| 561 | H | A | -1.4174 | |
| 562 | Q | A | -1.4016 | |
| 563 | K | A | 0.0000 | |
| 564 | S | A | 0.0000 | |
| 565 | E | A | -2.6766 | |
| 566 | F | A | 0.0000 | |
| 567 | V | A | 0.0000 | |
| 568 | E | A | -2.6957 | |
| 569 | K | A | -2.1213 | |
| 570 | S | A | 0.0000 | |
| 571 | T | A | 0.0000 | |
| 572 | K | A | -2.0466 | |
| 573 | Y | A | -0.9257 | |
| 574 | F | A | 0.0000 | |
| 575 | S | A | -1.8405 | |
| 576 | E | A | -2.6272 | |
| 577 | T | A | -1.6648 | |
| 578 | L | A | 0.0000 | |
| 579 | R | A | -2.6586 | |
| 580 | S | A | -1.6679 | |
| 581 | E | A | -1.2384 | |
| 582 | M | A | -0.8443 | |
| 583 | E | A | -0.9089 | |
| 584 | M | A | -0.3575 | |
| 585 | F | A | 0.4428 | |
| 586 | N | A | -0.7400 | |
| 587 | V | A | -0.5116 | |
| 588 | P | A | -0.7251 | |
| 589 | E | A | -1.7017 | |
| 590 | L | A | 0.0000 | |
| 591 | I | A | 0.7545 | |
| 592 | G | A | -0.0755 | |
| 593 | A | A | 0.0000 | |
| 594 | Q | A | -0.2004 | |
| 595 | A | A | -0.0385 | |
| 596 | H | A | -0.5074 | |
| 597 | A | A | -0.6623 | |
| 598 | V | A | -0.5160 | |
| 599 | N | A | -0.6920 | |
| 600 | V | A | 0.0000 | |
| 601 | I | A | 0.3088 | |
| 602 | L | A | 0.0000 | |
| 603 | D | A | -0.8161 | |
| 604 | A | A | -0.8405 | |
| 605 | E | A | -2.4534 | |
| 606 | T | A | 0.0000 | |
| 607 | A | A | 0.0000 | |
| 608 | Y | A | -0.8202 | |
| 609 | P | A | 0.0000 | |
| 610 | N | A | -1.3733 | |
| 611 | L | A | 0.0000 | |
| 612 | I | A | -0.4376 | |
| 613 | F | A | -0.5341 | |
| 614 | S | A | -1.4020 | |
| 615 | D | A | -2.4854 | |
| 616 | D | A | -2.3681 | |
| 617 | L | A | -0.8491 | |
| 618 | K | A | -0.8118 | |
| 619 | S | A | -0.8233 | |
| 620 | V | A | 0.0000 | |
| 621 | R | A | -1.1902 | |
| 622 | L | A | -0.8996 | |
| 623 | G | A | -1.1915 | |
| 624 | N | A | -1.4638 | |
| 625 | K | A | -1.9097 | |
| 626 | W | A | -0.6378 | |
| 627 | E | A | -1.6387 | |
| 628 | R | A | -2.4711 | |
| 629 | L | A | -1.4139 | |
| 630 | P | A | -1.8283 | |
| 631 | D | A | -2.7404 | |
| 632 | G | A | -1.8948 | |
| 633 | P | A | -1.7746 | |
| 634 | Q | A | -2.2190 | |
| 635 | R | A | 0.0000 | |
| 636 | F | A | 0.0000 | |
| 637 | D | A | -2.0214 | |
| 638 | S | A | -1.0693 | |
| 639 | C | A | -0.4401 | |
| 640 | I | A | 0.2094 | |
| 641 | I | A | 0.0000 | |
| 642 | V | A | 0.0000 | |
| 643 | L | A | 0.0000 | |
| 644 | G | A | 0.0000 | |
| 645 | S | A | -0.1450 | |
| 646 | P | A | -0.1024 | |
| 647 | S | A | -0.0594 | |
| 648 | F | A | 0.0000 | |
| 649 | L | A | 1.0803 | |
| 650 | S | A | -0.1258 | |
| 651 | G | A | -0.7501 | |
| 652 | R | A | -1.0988 | |
| 653 | R | A | -1.0654 | |
| 654 | Y | A | 0.0000 | |
| 655 | W | A | 0.0000 | |
| 656 | E | A | 0.0000 | |
| 657 | V | A | 0.0000 | |
| 658 | E | A | -1.7855 | |
| 659 | V | A | 0.0000 | |
| 660 | G | A | -1.9495 | |
| 661 | D | A | -2.7816 | |
| 662 | K | A | 0.0000 | |
| 663 | T | A | 0.0000 | |
| 664 | A | A | -1.6115 | |
| 665 | W | A | 0.0000 | |
| 666 | I | A | 0.0000 | |
| 667 | L | A | 0.0000 | |
| 668 | G | A | 0.0000 | |
| 669 | A | A | 0.0000 | |
| 670 | C | A | 0.0000 | |
| 671 | K | A | -0.6124 | |
| 672 | T | A | -0.4286 | |
| 673 | S | A | -0.5246 | |
| 674 | I | A | 0.0000 | |
| 675 | S | A | -1.2358 | |
| 676 | R | A | -1.8806 | |
| 677 | K | A | -2.6250 | |
| 678 | G | A | -1.7361 | |
| 679 | N | A | -1.5095 | |
| 680 | M | A | -0.8644 | |
| 681 | T | A | 0.0000 | |
| 682 | L | A | 0.0000 | |
| 683 | S | A | 0.0000 | |
| 684 | P | A | -1.1115 | |
| 685 | E | A | -2.1192 | |
| 686 | N | A | -1.5655 | |
| 687 | G | A | 0.0000 | |
| 688 | Y | A | 0.0000 | |
| 689 | W | A | 0.0000 | |
| 690 | V | A | 0.0000 | |
| 691 | V | A | 0.0000 | |
| 692 | I | A | 0.0000 | |
| 693 | M | A | 0.0000 | |
| 694 | M | A | -1.3773 | |
| 695 | K | A | -3.1986 | |
| 696 | E | A | -3.7453 | |
| 697 | N | A | -2.9466 | |
| 698 | E | A | -2.5655 | |
| 699 | Y | A | 0.0000 | |
| 700 | Q | A | 0.0000 | |
| 701 | A | A | 0.0000 | |
| 702 | S | A | 0.0000 | |
| 703 | S | A | -0.2754 | |
| 704 | V | A | -0.6391 | |
| 705 | P | A | -0.8045 | |
| 706 | P | A | -0.5887 | |
| 707 | T | A | -0.6907 | |
| 708 | R | A | -1.5819 | |
| 709 | L | A | -0.4542 | |
| 710 | L | A | 0.3310 | |
| 711 | I | A | -0.6194 | |
| 712 | K | A | -1.4999 | |
| 713 | E | A | -1.3931 | |
| 714 | P | A | -1.6970 | |
| 715 | P | A | 0.0000 | |
| 716 | K | A | -2.1648 | |
| 717 | R | A | -1.8118 | |
| 718 | V | A | 0.0000 | |
| 719 | G | A | 0.0000 | |
| 720 | I | A | 0.0000 | |
| 721 | F | A | 0.0000 | |
| 722 | V | A | 0.0000 | |
| 723 | D | A | 0.0000 | |
| 724 | Y | A | -0.5415 | |
| 725 | R | A | -1.3880 | |
| 726 | V | A | -0.4749 | |
| 727 | G | A | 0.0000 | |
| 728 | S | A | 0.0000 | |
| 729 | I | A | 0.0000 | |
| 730 | S | A | 0.0000 | |
| 731 | F | A | 0.0000 | |
| 732 | Y | A | 0.0000 | |
| 733 | N | A | 0.0000 | |
| 734 | V | A | -0.8808 | |
| 735 | T | A | -1.1274 | |
| 736 | A | A | -1.4544 | |
| 737 | R | A | -2.1614 | |
| 738 | S | A | -1.3880 | |
| 739 | H | A | -0.9166 | |
| 740 | I | A | 0.0212 | |
| 741 | Y | A | 0.0186 | |
| 742 | T | A | -0.0191 | |
| 743 | F | A | 0.0000 | |
| 744 | A | A | -0.3981 | |
| 745 | S | A | -0.1357 | |
| 746 | C | A | -0.3082 | |
| 747 | S | A | -0.2799 | |
| 748 | F | A | -0.0182 | |
| 749 | S | A | -0.0446 | |
| 750 | G | A | 0.0465 | |
| 751 | P | A | 0.2473 | |
| 752 | L | A | 0.0000 | |
| 753 | Q | A | 0.0000 | |
| 754 | P | A | 0.0000 | |
| 755 | I | A | 0.0000 | |
| 756 | F | A | 0.0000 | |
| 757 | S | A | 0.0000 | |
| 758 | P | A | 0.0000 | |
| 759 | G | A | -0.4853 | |
| 760 | T | A | -0.9994 | |
| 761 | R | A | -2.1644 | |
| 762 | D | A | -2.4625 | |
| 763 | G | A | -1.8792 | |
| 764 | G | A | -2.0370 | |
| 765 | K | A | -2.7916 | |
| 766 | N | A | 0.0000 | |
| 767 | T | A | -1.6831 | |
| 768 | A | A | -1.1252 | |
| 769 | P | A | -0.7568 | |
| 770 | L | A | 0.0000 | |
| 771 | T | A | -0.5930 | |
| 772 | I | A | 0.0000 | |
| 773 | C | A | -0.5510 | |
| 774 | P | A | -0.8585 | |
| 775 | V | A | 0.0000 | |
| 776 | G | A | -0.9647 | |
| 777 | G | A | -1.0426 | |
| 778 | Q | A | -1.3631 | |
| 779 | G | A | -1.4111 | |
| 780 | P | A | -1.6098 | |
| 781 | D | A | -2.1533 | |
| 1 | M | B | 0.1822 | |
| 2 | A | B | -0.0771 | |
| 3 | K | B | -0.8212 | |
| 4 | T | B | -0.4922 | |
| 5 | P | B | 0.0000 | |
| 6 | S | B | 0.0000 | |
| 7 | D | B | 0.0000 | |
| 8 | H | B | -1.0653 | |
| 9 | L | B | 0.0000 | |
| 10 | L | B | 0.0000 | |
| 11 | S | B | -0.9345 | |
| 12 | T | B | 0.0000 | |
| 13 | L | B | 0.0000 | |
| 14 | E | B | -1.6250 | |
| 15 | E | B | -1.8877 | |
| 16 | L | B | 0.0000 | |
| 17 | V | B | 0.0102 | |
| 18 | P | B | -0.7508 | |
| 19 | Y | B | 0.0000 | |
| 20 | D | B | -0.5817 | |
| 21 | F | B | 0.0000 | |
| 22 | E | B | -1.8471 | |
| 23 | K | B | 0.0000 | |
| 24 | F | B | 0.0000 | |
| 25 | K | B | 0.0000 | |
| 26 | F | B | -1.0377 | |
| 27 | K | B | -0.8663 | |
| 28 | L | B | 0.0000 | |
| 29 | Q | B | 0.0000 | |
| 30 | N | B | -1.0866 | |
| 31 | T | B | 0.0000 | |
| 32 | S | B | -1.0488 | |
| 33 | V | B | -1.6565 | |
| 34 | Q | B | -2.7562 | |
| 35 | K | B | -3.4021 | |
| 36 | E | B | -3.2789 | |
| 37 | H | B | -2.2658 | |
| 38 | S | B | -1.7889 | |
| 39 | R | B | -2.3738 | |
| 40 | I | B | 0.0000 | |
| 41 | P | B | -1.7783 | |
| 42 | R | B | -2.9627 | |
| 43 | S | B | -2.1933 | |
| 44 | Q | B | -2.4478 | |
| 45 | I | B | 0.0000 | |
| 46 | Q | B | -3.2410 | |
| 47 | R | B | -3.5764 | |
| 48 | A | B | 0.0000 | |
| 49 | R | B | -2.7828 | |
| 50 | P | B | -1.7009 | |
| 51 | V | B | 0.0000 | |
| 52 | K | B | -1.6620 | |
| 53 | M | B | 0.0000 | |
| 54 | A | B | 0.0000 | |
| 55 | T | B | 0.0000 | |
| 56 | L | B | 0.0000 | |
| 57 | L | B | 0.0000 | |
| 58 | V | B | 0.0000 | |
| 59 | T | B | -0.1069 | |
| 60 | Y | B | -0.0517 | |
| 61 | Y | B | 0.0000 | |
| 62 | G | B | -0.8243 | |
| 63 | E | B | -1.5085 | |
| 64 | E | B | -2.2561 | |
| 65 | Y | B | -1.3956 | |
| 66 | A | B | 0.0000 | |
| 67 | V | B | 0.0000 | |
| 68 | Q | B | -1.9919 | |
| 69 | L | B | 0.0000 | |
| 70 | T | B | 0.0000 | |
| 71 | L | B | 0.0000 | |
| 72 | Q | B | -2.0773 | |
| 73 | V | B | 0.0000 | |
| 74 | L | B | 0.0000 | |
| 75 | R | B | -2.9840 | |
| 76 | A | B | -1.7302 | |
| 77 | I | B | 0.0000 | |
| 78 | N | B | -2.1411 | |
| 79 | Q | B | -1.6651 | |
| 80 | R | B | -2.4563 | |
| 81 | L | B | -0.6402 | |
| 82 | L | B | -1.7260 | |
| 83 | A | B | -2.7019 | |
| 84 | E | B | -3.3657 | |
| 85 | E | B | -3.0562 | |
| 86 | L | B | 0.0000 | |
| 87 | H | B | -2.5495 | |
| 88 | R | B | -2.9930 | |
| 89 | A | B | -1.8765 | |
| 90 | A | B | 0.0000 | |
| 91 | I | B | 0.1796 | |
| 92 | Q | B | -1.2760 | |
| 93 | E | B | -1.2566 | |
| 94 | Y | B | -0.8345 | |
| 95 | S | B | -1.3394 | |
| 96 | T | B | -1.9935 | |
| 97 | Q | B | -2.8197 | |
| 98 | E | B | -3.9795 | |
| 99 | N | B | -3.9858 | |
| 100 | G | B | -3.2120 | |
| 101 | T | B | -3.0463 | |
| 102 | D | B | -3.9741 | |
| 103 | D | B | -3.5799 | |
| 104 | S | B | -2.0160 | |
| 105 | A | B | -1.5291 | |
| 106 | A | B | -1.1253 | |
| 107 | S | B | -0.7487 | |
| 108 | S | B | -0.2636 | |
| 109 | S | B | 0.0066 | |
| 110 | L | B | 0.4979 | |
| 111 | G | B | -1.3245 | |
| 112 | E | B | -2.9204 | |
| 113 | N | B | -3.2006 | |
| 114 | K | B | -3.6415 | |
| 115 | P | B | -2.4147 | |
| 116 | R | B | -2.5375 | |
| 117 | S | B | -1.1751 | |
| 118 | L | B | 0.0261 | |
| 119 | K | B | -1.3436 | |
| 120 | T | B | -1.1809 | |
| 121 | P | B | -1.7082 | |
| 122 | D | B | -2.7065 | |
| 123 | H | B | -2.5817 | |
| 124 | P | B | -2.2803 | |
| 125 | E | B | -2.9071 | |
| 126 | G | B | -2.6743 | |
| 127 | N | B | -2.9375 | |
| 128 | E | B | -3.1302 | |
| 129 | G | B | -2.3467 | |
| 130 | N | B | -2.4365 | |
| 131 | G | B | -2.0310 | |
| 132 | P | B | -1.7347 | |
| 133 | R | B | -2.0267 | |
| 134 | P | B | -0.6809 | |
| 135 | Y | B | 0.4063 | |
| 136 | G | B | -0.2083 | |
| 137 | G | B | -0.5909 | |
| 138 | G | B | -0.7514 | |
| 139 | A | B | -0.2945 | |
| 140 | A | B | 0.2141 | |
| 141 | S | B | 0.2430 | |
| 142 | L | B | 0.7005 | |
| 143 | R | B | -0.7595 | |
| 144 | C | B | -0.3119 | |
| 145 | S | B | -0.9821 | |
| 146 | Q | B | -1.6583 | |
| 147 | P | B | -1.8721 | |
| 148 | E | B | -2.4908 | |
| 149 | A | B | -1.6092 | |
| 150 | G | B | -1.7582 | |
| 151 | R | B | -2.0672 | |
| 152 | G | B | -0.9823 | |
| 153 | L | B | -0.0435 | |
| 154 | S | B | -1.2003 | |
| 155 | R | B | -2.3165 | |
| 156 | K | B | -2.1374 | |
| 157 | P | B | -1.1265 | |
| 158 | L | B | -0.2520 | |
| 159 | S | B | -1.2812 | |
| 160 | K | B | -2.9306 | |
| 161 | R | B | -3.9412 | |
| 162 | R | B | -4.6825 | |
| 163 | E | B | -4.3182 | |
| 164 | K | B | -3.2093 | |
| 165 | A | B | -2.0848 | |
| 166 | S | B | -1.7514 | |
| 167 | E | B | -2.2352 | |
| 168 | G | B | -1.0997 | |
| 169 | L | B | -0.1728 | |
| 170 | D | B | -1.5697 | |
| 171 | A | B | -1.4002 | |
| 172 | Q | B | -2.1841 | |
| 173 | G | B | -2.3318 | |
| 174 | K | B | -2.8433 | |
| 175 | P | B | -2.4981 | |
| 176 | R | B | -2.9190 | |
| 177 | T | B | -2.2859 | |
| 178 | R | B | -2.5070 | |
| 179 | S | B | -1.2782 | |
| 180 | P | B | -0.3664 | |
| 181 | A | B | 0.5674 | |
| 182 | L | B | 1.2835 | |
| 183 | P | B | 0.2177 | |
| 184 | G | B | -0.9061 | |
| 185 | G | B | -1.6788 | |
| 186 | R | B | -2.3436 | |
| 187 | S | B | -1.5646 | |
| 188 | P | B | -1.0050 | |
| 189 | G | B | -0.8096 | |
| 190 | P | B | -0.6299 | |
| 191 | C | B | -0.2526 | |
| 192 | R | B | -1.2191 | |
| 193 | A | B | -0.4301 | |
| 194 | L | B | 0.2014 | |
| 195 | E | B | -1.5015 | |
| 196 | G | B | -1.5546 | |
| 197 | G | B | -1.5562 | |
| 198 | Q | B | -1.9498 | |
| 199 | A | B | -1.1745 | |
| 200 | E | B | -1.4418 | |
| 201 | V | B | 0.0137 | |
| 202 | R | B | -1.3035 | |
| 203 | L | B | -0.6358 | |
| 204 | R | B | -2.4120 | |
| 205 | R | B | -3.2456 | |
| 206 | N | B | -2.5273 | |
| 207 | A | B | -1.3270 | |
| 208 | S | B | -0.5623 | |
| 209 | S | B | -0.3903 | |
| 210 | A | B | -0.5672 | |
| 211 | G | B | -1.0908 | |
| 212 | R | B | -1.6411 | |
| 213 | L | B | -0.0208 | |
| 214 | Q | B | -0.7880 | |
| 215 | G | B | -0.1168 | |
| 216 | L | B | 1.0468 | |
| 217 | A | B | 0.1915 | |
| 218 | G | B | -0.3339 | |
| 219 | G | B | -0.5879 | |
| 220 | A | B | -0.6837 | |
| 221 | P | B | -1.1599 | |
| 222 | G | B | -1.9055 | |
| 223 | Q | B | -2.7383 | |
| 224 | K | B | -3.3955 | |
| 225 | E | B | -3.2824 | |
| 226 | C | B | -1.4463 | |
| 227 | R | B | -2.1304 | |
| 228 | P | B | -0.5319 | |
| 229 | F | B | 1.1772 | |
| 230 | E | B | 0.2440 | |
| 231 | V | B | 2.2626 | |
| 232 | Y | B | 2.6031 | |
| 233 | L | B | 2.2552 | |
| 234 | P | B | 0.7033 | |
| 235 | S | B | -0.1063 | |
| 236 | G | B | -1.1914 | |
| 237 | K | B | -2.2437 | |
| 238 | M | B | -1.2841 | |
| 239 | R | B | -2.3014 | |
| 240 | P | B | -1.2336 | |
| 241 | R | B | 0.0000 | |
| 242 | S | B | 0.0000 | |
| 243 | L | B | 0.0320 | |
| 244 | E | B | -0.2740 | |
| 245 | V | B | 0.0563 | |
| 246 | T | B | -0.3038 | |
| 247 | I | B | -0.0837 | |
| 248 | S | B | -0.7711 | |
| 249 | T | B | -1.1511 | |
| 250 | G | B | -1.9839 | |
| 251 | E | B | -2.9781 | |
| 252 | K | B | -2.8009 | |
| 253 | A | B | -1.7357 | |
| 254 | P | B | -1.4482 | |
| 255 | A | B | -1.2912 | |
| 256 | N | B | -1.6765 | |
| 257 | P | B | -0.9145 | |
| 258 | E | B | -0.5784 | |
| 259 | I | B | 2.0892 | |
| 260 | L | B | 2.8651 | |
| 261 | L | B | 2.8161 | |
| 262 | T | B | 1.4439 | |
| 263 | L | B | 0.6094 | |
| 264 | E | B | -2.2015 | |
| 265 | E | B | -3.1966 | |
| 266 | K | B | -2.8954 | |
| 267 | T | B | -1.5412 | |
| 268 | A | B | -0.8269 | |
| 269 | A | B | -0.3944 | |
| 270 | N | B | -0.7582 | |
| 271 | L | B | -0.0514 | |
| 272 | D | B | -1.3989 | |
| 273 | S | B | -0.8214 | |
| 274 | A | B | -0.8399 | |
| 275 | T | B | -1.0504 | |
| 276 | E | B | -2.3536 | |
| 277 | P | B | -2.1283 | |
| 278 | R | B | -2.7256 | |
| 279 | A | B | -1.9982 | |
| 280 | R | B | -2.3638 | |
| 281 | P | B | -1.2637 | |
| 282 | T | B | -1.0854 | |
| 283 | P | B | -1.3898 | |
| 284 | D | B | -2.2644 | |
| 285 | G | B | -1.6336 | |
| 286 | G | B | -1.1322 | |
| 287 | A | B | -0.3702 | |
| 288 | S | B | -0.6365 | |
| 289 | A | B | -0.6833 | |
| 290 | D | B | -1.4127 | |
| 291 | L | B | -0.6153 | |
| 292 | K | B | -2.2050 | |
| 293 | E | B | -2.6112 | |
| 294 | G | B | -1.9167 | |
| 295 | P | B | -1.3819 | |
| 296 | G | B | -1.3565 | |
| 297 | N | B | -2.0875 | |
| 298 | P | B | -2.1067 | |
| 299 | E | B | -2.7865 | |
| 300 | H | B | -1.6925 | |
| 301 | S | B | -0.2320 | |
| 302 | V | B | 1.3102 | |
| 303 | T | B | 0.2247 | |
| 304 | G | B | -1.0901 | |
| 305 | R | B | -2.4400 | |
| 306 | P | B | -1.7562 | |
| 307 | P | B | -1.7647 | |
| 308 | D | B | -2.1621 | |
| 309 | T | B | -0.9300 | |
| 310 | A | B | -0.3713 | |
| 311 | A | B | -0.1020 | |
| 312 | S | B | -0.6896 | |
| 313 | P | B | -1.1014 | |
| 314 | R | B | -1.8463 | |
| 315 | C | B | -0.9450 | |
| 316 | H | B | -1.5465 | |
| 317 | A | B | -1.4760 | |
| 318 | Q | B | -2.5034 | |
| 319 | E | B | -3.2278 | |
| 320 | G | B | -2.6565 | |
| 321 | D | B | -2.3283 | |
| 322 | P | B | -0.9152 | |
| 323 | V | B | 0.1280 | |
| 324 | D | B | -1.2058 | |
| 325 | G | B | -0.6290 | |
| 326 | T | B | 0.2837 | |
| 327 | C | B | 0.8890 | |
| 328 | V | B | 0.7161 | |
| 329 | R | B | -1.8473 | |
| 330 | D | B | -2.3503 | |
| 331 | S | B | -1.1500 | |
| 332 | C | B | 0.5582 | |
| 333 | S | B | 1.0361 | |
| 334 | F | B | 1.4614 | |
| 335 | P | B | -0.1343 | |
| 336 | E | B | -1.0869 | |
| 337 | A | B | -0.2332 | |
| 338 | V | B | 1.0462 | |
| 339 | S | B | -0.0007 | |
| 340 | G | B | -0.6753 | |
| 341 | H | B | -1.4979 | |
| 342 | P | B | -1.5275 | |
| 343 | Q | B | -1.6392 | |
| 344 | A | B | -0.9689 | |
| 345 | S | B | -1.0207 | |
| 346 | G | B | -1.2185 | |
| 347 | S | B | -1.4773 | |
| 348 | R | B | -2.3117 | |
| 349 | S | B | -1.3723 | |
| 350 | P | B | -0.9601 | |
| 351 | G | B | -0.8542 | |
| 352 | C | B | -0.2251 | |
| 353 | P | B | -1.2592 | |
| 354 | R | B | -2.2087 | |
| 355 | C | B | -1.3875 | |
| 356 | Q | B | -2.5087 | |
| 357 | D | B | -3.1741 | |
| 358 | S | B | -2.7903 | |
| 359 | H | B | -3.5494 | |
| 360 | E | B | -4.1913 | |
| 361 | R | B | -4.0556 | |
| 362 | K | B | -3.6913 | |
| 363 | S | B | -2.2457 | |
| 364 | P | B | -1.1486 | |
| 365 | G | B | -0.6920 | |
| 366 | S | B | 0.1025 | |
| 367 | L | B | 0.8805 | |
| 368 | S | B | 0.0668 | |
| 369 | P | B | -0.3429 | |
| 370 | Q | B | -0.6094 | |
| 371 | P | B | -0.5122 | |
| 372 | L | B | -0.2629 | |
| 373 | P | B | -0.8803 | |
| 374 | Q | B | -1.8682 | |
| 375 | C | B | 0.0000 | |
| 376 | K | B | -2.8421 | |
| 377 | R | B | -2.6403 | |
| 378 | H | B | -1.1217 | |
| 379 | L | B | -0.2535 | |
| 380 | K | B | -1.7199 | |
| 381 | Q | B | -0.8018 | |
| 382 | V | B | -0.0185 | |
| 383 | Q | B | 0.0000 | |
| 384 | L | B | 0.5042 | |
| 385 | L | B | -0.0463 | |
| 386 | F | B | 0.0000 | |
| 387 | C | B | 0.0000 | |
| 388 | E | B | -4.3508 | |
| 389 | D | B | -4.0669 | |
| 390 | H | B | -3.7934 | |
| 391 | D | B | -3.6339 | |
| 392 | E | B | -2.2660 | |
| 393 | P | B | 0.0000 | |
| 394 | I | B | 0.0000 | |
| 395 | C | B | 0.0000 | |
| 396 | L | B | 1.8315 | |
| 397 | I | B | 1.8655 | |
| 398 | C | B | 0.3080 | |
| 399 | S | B | 0.2981 | |
| 400 | L | B | 1.2083 | |
| 401 | S | B | -0.3983 | |
| 402 | Q | B | -2.2167 | |
| 403 | E | B | -2.7231 | |
| 404 | H | B | 0.0000 | |
| 405 | Q | B | -2.3210 | |
| 406 | G | B | -1.9928 | |
| 407 | H | B | -3.0890 | |
| 408 | R | B | -3.4394 | |
| 409 | V | B | -2.0264 | |
| 410 | R | B | -2.2365 | |
| 411 | P | B | -1.3048 | |
| 412 | I | B | 0.0000 | |
| 413 | E | B | -2.4546 | |
| 414 | E | B | -2.1586 | |
| 415 | V | B | 0.0000 | |
| 416 | A | B | 0.0000 | |
| 417 | L | B | -1.1207 | |
| 418 | E | B | -2.2777 | |
| 419 | H | B | -2.2539 | |
| 420 | K | B | -2.3374 | |
| 421 | K | B | -2.8166 | |
| 422 | K | B | -2.8608 | |
| 423 | I | B | 0.0000 | |
| 424 | Q | B | -3.2624 | |
| 425 | K | B | -3.6885 | |
| 426 | Q | B | -3.1546 | |
| 427 | L | B | -3.0676 | |
| 428 | E | B | -3.5313 | |
| 429 | H | B | -2.9502 | |
| 430 | L | B | 0.0000 | |
| 431 | K | B | -3.2477 | |
| 432 | K | B | -3.2668 | |
| 433 | L | B | 0.0000 | |
| 434 | R | B | -2.9569 | |
| 435 | K | B | -3.7639 | |
| 436 | S | B | -2.8404 | |
| 437 | G | B | 0.0000 | |
| 438 | E | B | -3.0544 | |
| 439 | E | B | -3.4488 | |
| 440 | Q | B | -3.0502 | |
| 441 | R | B | -3.1648 | |
| 442 | S | B | -2.2632 | |
| 443 | Y | B | -1.7684 | |
| 444 | G | B | 0.0000 | |
| 445 | E | B | -2.5760 | |
| 446 | E | B | -2.4159 | |
| 447 | K | B | -1.7524 | |
| 448 | A | B | 0.0000 | |
| 449 | V | B | -0.9684 | |
| 450 | S | B | -1.4250 | |
| 451 | F | B | 0.0000 | |
| 452 | L | B | -1.1278 | |
| 453 | K | B | -2.2968 | |
| 454 | Q | B | -1.7307 | |
| 455 | T | B | 0.0000 | |
| 456 | E | B | -2.7954 | |
| 457 | A | B | -1.9580 | |
| 458 | L | B | 0.0000 | |
| 459 | K | B | -2.5172 | |
| 460 | Q | B | -2.6406 | |
| 461 | R | B | -2.7434 | |
| 462 | V | B | 0.0000 | |
| 463 | Q | B | -2.6460 | |
| 464 | R | B | -3.7002 | |
| 465 | K | B | -2.9860 | |
| 466 | L | B | 0.0000 | |
| 467 | E | B | -2.5185 | |
| 468 | Q | B | -1.8192 | |
| 469 | V | B | 0.0000 | |
| 470 | Y | B | -0.6660 | |
| 471 | Y | B | 0.0559 | |
| 472 | F | B | 0.0000 | |
| 473 | L | B | 0.0000 | |
| 474 | E | B | -1.4073 | |
| 475 | Q | B | -1.0718 | |
| 476 | Q | B | 0.0000 | |
| 477 | E | B | -1.1802 | |
| 478 | H | B | -1.3629 | |
| 479 | F | B | -0.3029 | |
| 480 | F | B | 0.0000 | |
| 481 | V | B | -0.5246 | |
| 482 | A | B | -0.6508 | |
| 483 | S | B | 0.0000 | |
| 484 | L | B | 0.0000 | |
| 485 | E | B | -1.5579 | |
| 486 | D | B | -2.0581 | |
| 487 | V | B | 0.0000 | |
| 488 | G | B | 0.0000 | |
| 489 | Q | B | -1.4479 | |
| 490 | M | B | -1.3109 | |
| 491 | V | B | 0.0000 | |
| 492 | G | B | -1.2755 | |
| 493 | Q | B | -1.3863 | |
| 494 | I | B | -0.9000 | |
| 495 | R | B | -1.7975 | |
| 496 | K | B | -1.9352 | |
| 497 | A | B | -1.2669 | |
| 498 | Y | B | 0.0000 | |
| 499 | D | B | -2.0522 | |
| 500 | T | B | -1.6575 | |
| 501 | R | B | -2.3218 | |
| 502 | V | B | 0.0000 | |
| 503 | S | B | -1.3942 | |
| 504 | Q | B | -1.8578 | |
| 505 | D | B | -0.9838 | |
| 506 | I | B | 0.0000 | |
| 507 | A | B | -0.5006 | |
| 508 | L | B | 0.0623 | |
| 509 | L | B | 0.0000 | |
| 510 | D | B | -0.5756 | |
| 511 | A | B | -0.3059 | |
| 512 | L | B | 0.0000 | |
| 513 | I | B | 0.0000 | |
| 514 | G | B | -0.8719 | |
| 515 | E | B | -1.0914 | |
| 516 | L | B | 0.0000 | |
| 517 | E | B | -1.1510 | |
| 518 | A | B | -0.5576 | |
| 519 | K | B | 0.0000 | |
| 520 | E | B | 0.0000 | |
| 521 | C | B | 0.1292 | |
| 522 | Q | B | -0.2111 | |
| 523 | S | B | 0.0000 | |
| 524 | E | B | -0.6623 | |
| 525 | W | B | -0.4073 | |
| 526 | E | B | -1.1072 | |
| 527 | L | B | 0.0000 | |
| 528 | L | B | 0.0000 | |
| 529 | Q | B | -2.6475 | |
| 530 | D | B | -2.9334 | |
| 531 | I | B | 0.0000 | |
| 532 | G | B | -2.3333 | |
| 533 | D | B | -3.2892 | |
| 534 | I | B | 0.0000 | |
| 535 | L | B | 0.0000 | |
| 536 | H | B | -2.7086 | |
| 537 | R | B | -2.3640 | |
| 538 | A | B | 0.0000 | |
| 539 | K | B | -2.8105 | |
| 540 | T | B | -1.2346 | |
| 541 | V | B | -0.5331 | |
| 542 | P | B | 0.1292 | |
| 543 | V | B | 0.7041 | |
| 544 | P | B | 0.0000 | |
| 545 | E | B | -1.8704 | |
| 546 | K | B | -2.0986 | |
| 547 | W | B | 0.0000 | |
| 548 | T | B | -0.8084 | |
| 549 | T | B | -1.1950 | |
| 550 | P | B | -1.6478 | |
| 551 | Q | B | -3.0093 | |
| 552 | E | B | -3.4270 | |
| 553 | I | B | 0.0000 | |
| 554 | K | B | -3.5996 | |
| 555 | Q | B | -3.4500 | |
| 556 | K | B | -2.7742 | |
| 557 | I | B | 0.0000 | |
| 558 | Q | B | -2.1837 | |
| 559 | L | B | -1.1362 | |
| 560 | L | B | 0.0000 | |
| 561 | H | B | -1.4718 | |
| 562 | Q | B | -1.2280 | |
| 563 | K | B | 0.0000 | |
| 564 | S | B | 0.0000 | |
| 565 | E | B | -2.5146 | |
| 566 | F | B | -1.3273 | |
| 567 | V | B | 0.0000 | |
| 568 | E | B | -1.8678 | |
| 569 | K | B | -1.9928 | |
| 570 | S | B | 0.0000 | |
| 571 | T | B | 0.0000 | |
| 572 | K | B | -1.3908 | |
| 573 | Y | B | -0.2201 | |
| 574 | F | B | 0.0000 | |
| 575 | S | B | 0.0000 | |
| 576 | E | B | -0.9283 | |
| 577 | T | B | -0.4519 | |
| 578 | L | B | 0.0000 | |
| 579 | R | B | -0.9310 | |
| 580 | S | B | -0.6568 | |
| 581 | E | B | -0.7108 | |
| 582 | M | B | 0.0000 | |
| 583 | E | B | -0.7131 | |
| 584 | M | B | -0.0690 | |
| 585 | F | B | -0.0526 | |
| 586 | N | B | -0.4011 | |
| 587 | V | B | -0.0981 | |
| 588 | P | B | -0.0626 | |
| 589 | E | B | -0.5028 | |
| 590 | L | B | 0.0000 | |
| 591 | I | B | 1.3658 | |
| 592 | G | B | 0.4461 | |
| 593 | A | B | 0.0000 | |
| 594 | Q | B | 0.0013 | |
| 595 | A | B | 0.0447 | |
| 596 | H | B | -0.4595 | |
| 597 | A | B | -0.6088 | |
| 598 | V | B | -0.4040 | |
| 599 | N | B | -0.6286 | |
| 600 | V | B | 0.0000 | |
| 601 | I | B | 0.2902 | |
| 602 | L | B | 0.0000 | |
| 603 | D | B | -0.8153 | |
| 604 | A | B | -0.8852 | |
| 605 | E | B | -2.4721 | |
| 606 | T | B | 0.0000 | |
| 607 | A | B | 0.0000 | |
| 608 | Y | B | -1.1032 | |
| 609 | P | B | -1.7074 | |
| 610 | N | B | -1.4261 | |
| 611 | L | B | 0.0000 | |
| 612 | I | B | -0.4105 | |
| 613 | F | B | -0.5489 | |
| 614 | S | B | -1.4162 | |
| 615 | D | B | -2.4900 | |
| 616 | D | B | -2.3808 | |
| 617 | L | B | -0.8775 | |
| 618 | K | B | -0.8392 | |
| 619 | S | B | -0.8421 | |
| 620 | V | B | 0.0000 | |
| 621 | R | B | -1.2433 | |
| 622 | L | B | -0.9152 | |
| 623 | G | B | 0.0000 | |
| 624 | N | B | -1.3745 | |
| 625 | K | B | -1.8331 | |
| 626 | W | B | -0.5126 | |
| 627 | E | B | -1.3768 | |
| 628 | R | B | -2.3644 | |
| 629 | L | B | -1.3781 | |
| 630 | P | B | -1.8004 | |
| 631 | D | B | -2.7964 | |
| 632 | G | B | -1.9244 | |
| 633 | P | B | -1.7523 | |
| 634 | Q | B | -2.2417 | |
| 635 | R | B | 0.0000 | |
| 636 | F | B | 0.0000 | |
| 637 | D | B | -2.3423 | |
| 638 | S | B | -1.2902 | |
| 639 | C | B | 0.0000 | |
| 640 | I | B | 0.0000 | |
| 641 | I | B | 0.0000 | |
| 642 | V | B | 0.0000 | |
| 643 | L | B | 0.0000 | |
| 644 | G | B | 0.0000 | |
| 645 | S | B | -0.0732 | |
| 646 | P | B | -0.0347 | |
| 647 | S | B | -0.0191 | |
| 648 | F | B | 0.0000 | |
| 649 | L | B | 1.1319 | |
| 650 | S | B | -0.0201 | |
| 651 | G | B | -0.7244 | |
| 652 | R | B | -1.1947 | |
| 653 | R | B | -1.0248 | |
| 654 | Y | B | 0.0000 | |
| 655 | W | B | 0.0000 | |
| 656 | E | B | 0.0000 | |
| 657 | V | B | 0.0000 | |
| 658 | E | B | -1.7803 | |
| 659 | V | B | 0.0000 | |
| 660 | G | B | -2.0141 | |
| 661 | D | B | -2.8175 | |
| 662 | K | B | 0.0000 | |
| 663 | T | B | 0.0000 | |
| 664 | A | B | -1.5340 | |
| 665 | W | B | 0.0000 | |
| 666 | I | B | 0.0000 | |
| 667 | L | B | 0.0000 | |
| 668 | G | B | 0.0000 | |
| 669 | A | B | 0.0000 | |
| 670 | C | B | 0.0000 | |
| 671 | K | B | -0.5423 | |
| 672 | T | B | -0.4027 | |
| 673 | S | B | -0.4751 | |
| 674 | I | B | 0.0000 | |
| 675 | S | B | -0.9392 | |
| 676 | R | B | -1.5784 | |
| 677 | K | B | -2.0558 | |
| 678 | G | B | -1.4165 | |
| 679 | N | B | -1.2333 | |
| 680 | M | B | -0.4902 | |
| 681 | T | B | 0.0000 | |
| 682 | L | B | 0.0000 | |
| 683 | S | B | 0.0000 | |
| 684 | P | B | -0.6340 | |
| 685 | E | B | -1.1028 | |
| 686 | N | B | -0.7861 | |
| 687 | G | B | 0.0000 | |
| 688 | Y | B | 0.0000 | |
| 689 | W | B | 0.0000 | |
| 690 | V | B | 0.0000 | |
| 691 | V | B | 0.0000 | |
| 692 | I | B | 0.0000 | |
| 693 | M | B | 0.0000 | |
| 694 | M | B | -1.2642 | |
| 695 | K | B | -3.0716 | |
| 696 | E | B | -3.6519 | |
| 697 | N | B | -2.9652 | |
| 698 | E | B | -2.3323 | |
| 699 | Y | B | 0.0000 | |
| 700 | Q | B | -0.6904 | |
| 701 | A | B | 0.0000 | |
| 702 | S | B | 0.0000 | |
| 703 | S | B | -0.3258 | |
| 704 | V | B | 0.0000 | |
| 705 | P | B | -0.5950 | |
| 706 | P | B | -0.7951 | |
| 707 | T | B | -0.8538 | |
| 708 | R | B | -1.6605 | |
| 709 | L | B | 0.0000 | |
| 710 | L | B | 0.2017 | |
| 711 | I | B | -0.9063 | |
| 712 | K | B | -2.0110 | |
| 713 | E | B | -2.1492 | |
| 714 | P | B | -2.1700 | |
| 715 | P | B | 0.0000 | |
| 716 | K | B | -2.3981 | |
| 717 | R | B | -1.8246 | |
| 718 | V | B | 0.0000 | |
| 719 | G | B | 0.0000 | |
| 720 | I | B | 0.0000 | |
| 721 | F | B | 0.0000 | |
| 722 | V | B | 0.0000 | |
| 723 | D | B | 0.0000 | |
| 724 | Y | B | -0.4814 | |
| 725 | R | B | -1.2222 | |
| 726 | V | B | -0.6987 | |
| 727 | G | B | 0.0000 | |
| 728 | S | B | 0.0000 | |
| 729 | I | B | 0.0000 | |
| 730 | S | B | 0.0000 | |
| 731 | F | B | 0.0000 | |
| 732 | Y | B | 0.0000 | |
| 733 | N | B | 0.0000 | |
| 734 | V | B | -0.8630 | |
| 735 | T | B | -1.3037 | |
| 736 | A | B | -1.6012 | |
| 737 | R | B | -1.7495 | |
| 738 | S | B | -1.3376 | |
| 739 | H | B | -0.7354 | |
| 740 | I | B | 0.1307 | |
| 741 | Y | B | -0.0092 | |
| 742 | T | B | 0.0881 | |
| 743 | F | B | 0.0000 | |
| 744 | A | B | -0.1811 | |
| 745 | S | B | -0.3365 | |
| 746 | C | B | -0.2859 | |
| 747 | S | B | -0.5429 | |
| 748 | F | B | 0.0138 | |
| 749 | S | B | -0.0404 | |
| 750 | G | B | 0.0572 | |
| 751 | P | B | 0.2742 | |
| 752 | L | B | 0.0000 | |
| 753 | Q | B | 0.0000 | |
| 754 | P | B | 0.0000 | |
| 755 | I | B | 0.0000 | |
| 756 | F | B | 0.0000 | |
| 757 | S | B | 0.0000 | |
| 758 | P | B | 0.0000 | |
| 759 | G | B | 0.0000 | |
| 760 | T | B | -1.1890 | |
| 761 | R | B | -2.1726 | |
| 762 | D | B | -2.4906 | |
| 763 | G | B | -1.9140 | |
| 764 | G | B | -2.0923 | |
| 765 | K | B | -2.8178 | |
| 766 | N | B | 0.0000 | |
| 767 | T | B | -1.5136 | |
| 768 | A | B | -1.1278 | |
| 769 | P | B | -0.7630 | |
| 770 | L | B | 0.0000 | |
| 771 | T | B | -0.5932 | |
| 772 | I | B | 0.0000 | |
| 773 | C | B | -0.5387 | |
| 774 | P | B | -0.8464 | |
| 775 | V | B | 0.0000 | |
| 776 | G | B | -0.9370 | |
| 777 | G | B | -1.0403 | |
| 778 | Q | B | -1.3402 | |
| 779 | G | B | -1.4053 | |
| 780 | P | B | -1.5637 | |
| 781 | D | B | -2.1418 | |
| 1 | M | C | -0.2409 | |
| 2 | A | C | -0.7384 | |
| 3 | K | C | -1.8764 | |
| 4 | T | C | -1.0194 | |
| 5 | P | C | 0.0000 | |
| 6 | S | C | -0.8415 | |
| 7 | D | C | -1.0123 | |
| 8 | H | C | -1.3606 | |
| 9 | L | C | 0.0000 | |
| 10 | L | C | -0.8122 | |
| 11 | S | C | -1.3955 | |
| 12 | T | C | 0.0000 | |
| 13 | L | C | 0.0000 | |
| 14 | E | C | -2.6290 | |
| 15 | E | C | -2.2726 | |
| 16 | L | C | 0.0000 | |
| 17 | V | C | 0.8028 | |
| 18 | P | C | -0.1246 | |
| 19 | Y | C | 0.3099 | |
| 20 | D | C | -0.1548 | |
| 21 | F | C | 0.0000 | |
| 22 | E | C | -0.9444 | |
| 23 | K | C | -0.2874 | |
| 24 | F | C | 0.0000 | |
| 25 | K | C | 0.0000 | |
| 26 | F | C | 0.0000 | |
| 27 | K | C | 0.0000 | |
| 28 | L | C | 0.0000 | |
| 29 | Q | C | 0.0000 | |
| 30 | N | C | -0.3626 | |
| 31 | T | C | 0.0000 | |
| 32 | S | C | -0.7819 | |
| 33 | V | C | -1.5823 | |
| 34 | Q | C | -2.7586 | |
| 35 | K | C | -3.4075 | |
| 36 | E | C | -3.2836 | |
| 37 | H | C | -2.3014 | |
| 38 | S | C | -1.8207 | |
| 39 | R | C | -2.2670 | |
| 40 | I | C | 0.0000 | |
| 41 | P | C | -1.1224 | |
| 42 | R | C | -1.6591 | |
| 43 | S | C | -1.3330 | |
| 44 | Q | C | -1.5297 | |
| 45 | I | C | 0.0000 | |
| 46 | Q | C | -1.9322 | |
| 47 | R | C | -2.8005 | |
| 48 | A | C | 0.0000 | |
| 49 | R | C | -2.8558 | |
| 50 | P | C | -2.0101 | |
| 51 | V | C | -0.9578 | |
| 52 | K | C | -1.5750 | |
| 53 | M | C | 0.0000 | |
| 54 | A | C | 0.0000 | |
| 55 | T | C | -0.3519 | |
| 56 | L | C | 0.0000 | |
| 57 | L | C | 0.0000 | |
| 58 | V | C | -0.2437 | |
| 59 | T | C | 0.0953 | |
| 60 | Y | C | -0.0713 | |
| 61 | Y | C | 0.0000 | |
| 62 | G | C | -0.8651 | |
| 63 | E | C | -1.6456 | |
| 64 | E | C | -2.3229 | |
| 65 | Y | C | -1.4044 | |
| 66 | A | C | 0.0000 | |
| 67 | V | C | 0.0000 | |
| 68 | Q | C | -1.7980 | |
| 69 | L | C | 0.0000 | |
| 70 | T | C | 0.0000 | |
| 71 | L | C | 0.0000 | |
| 72 | Q | C | -1.1920 | |
| 73 | V | C | 0.0000 | |
| 74 | L | C | 0.0000 | |
| 75 | R | C | -2.7029 | |
| 76 | A | C | -1.5328 | |
| 77 | I | C | -1.5593 | |
| 78 | N | C | -2.2465 | |
| 79 | Q | C | -1.8441 | |
| 80 | R | C | -2.6172 | |
| 81 | L | C | -0.6842 | |
| 82 | L | C | -1.6969 | |
| 83 | A | C | -2.5183 | |
| 84 | E | C | -3.1102 | |
| 85 | E | C | -2.8682 | |
| 86 | L | C | 0.0000 | |
| 87 | H | C | -2.1882 | |
| 88 | R | C | -2.7279 | |
| 89 | A | C | -1.8384 | |
| 90 | A | C | 0.0000 | |
| 91 | I | C | 0.3722 | |
| 92 | Q | C | -1.1800 | |
| 93 | E | C | -1.2614 | |
| 94 | Y | C | -0.8346 | |
| 95 | S | C | -1.3270 | |
| 96 | T | C | -2.0086 | |
| 97 | Q | C | -2.8298 | |
| 98 | E | C | -3.9780 | |
| 99 | N | C | -3.9958 | |
| 100 | G | C | -3.2370 | |
| 101 | T | C | -3.0312 | |
| 102 | D | C | -3.9666 | |
| 103 | D | C | -3.5681 | |
| 104 | S | C | -2.0088 | |
| 105 | A | C | -1.5043 | |
| 106 | A | C | -0.9813 | |
| 107 | S | C | -0.7390 | |
| 108 | S | C | -0.2730 | |
| 109 | S | C | 0.0261 | |
| 110 | L | C | 0.4910 | |
| 111 | G | C | -1.3081 | |
| 112 | E | C | -2.9188 | |
| 113 | N | C | -3.1997 | |
| 114 | K | C | -3.6384 | |
| 115 | P | C | -2.4150 | |
| 116 | R | C | -2.5634 | |
| 117 | S | C | -1.2067 | |
| 118 | L | C | 0.0057 | |
| 119 | K | C | -1.6325 | |
| 120 | T | C | -1.3145 | |
| 121 | P | C | -1.7237 | |
| 122 | D | C | -2.9365 | |
| 123 | H | C | -2.4758 | |
| 124 | P | C | -2.2760 | |
| 125 | E | C | -2.8553 | |
| 126 | G | C | -2.4827 | |
| 127 | N | C | -2.9810 | |
| 128 | E | C | -3.1297 | |
| 129 | G | C | -2.4035 | |
| 130 | N | C | -2.1855 | |
| 131 | G | C | -1.7914 | |
| 132 | P | C | -1.7528 | |
| 133 | R | C | -1.9544 | |
| 134 | P | C | -0.6966 | |
| 135 | Y | C | 0.4018 | |
| 136 | G | C | -0.2810 | |
| 137 | G | C | -0.6518 | |
| 138 | G | C | -0.7849 | |
| 139 | A | C | -0.2952 | |
| 140 | A | C | 0.2068 | |
| 141 | S | C | 0.2841 | |
| 142 | L | C | 0.7023 | |
| 143 | R | C | -0.7697 | |
| 144 | C | C | -0.3334 | |
| 145 | S | C | -1.0980 | |
| 146 | Q | C | -1.7198 | |
| 147 | P | C | -1.8583 | |
| 148 | E | C | -2.3335 | |
| 149 | A | C | -1.7671 | |
| 150 | G | C | -1.8671 | |
| 151 | R | C | -1.9306 | |
| 152 | G | C | -0.9628 | |
| 153 | L | C | 0.1265 | |
| 154 | S | C | -1.0924 | |
| 155 | R | C | -2.3492 | |
| 156 | K | C | -2.2582 | |
| 157 | P | C | -1.0642 | |
| 158 | L | C | 0.0304 | |
| 159 | S | C | -1.2136 | |
| 160 | K | C | -3.0527 | |
| 161 | R | C | -4.0925 | |
| 162 | R | C | -4.5521 | |
| 163 | E | C | -4.2829 | |
| 164 | K | C | -3.4420 | |
| 165 | A | C | -1.7267 | |
| 166 | S | C | -1.5478 | |
| 167 | E | C | -1.9647 | |
| 168 | G | C | -1.0499 | |
| 169 | L | C | -0.1249 | |
| 170 | D | C | -1.4598 | |
| 171 | A | C | -1.4124 | |
| 172 | Q | C | -2.1529 | |
| 173 | G | C | -2.3474 | |
| 174 | K | C | -2.7924 | |
| 175 | P | C | -2.4078 | |
| 176 | R | C | -2.8758 | |
| 177 | T | C | -2.0798 | |
| 178 | R | C | -2.4343 | |
| 179 | S | C | -1.2905 | |
| 180 | P | C | -0.3776 | |
| 181 | A | C | 0.5458 | |
| 182 | L | C | 1.2788 | |
| 183 | P | C | 0.1506 | |
| 184 | G | C | -0.9091 | |
| 185 | G | C | -1.7252 | |
| 186 | R | C | -2.3506 | |
| 187 | S | C | -1.5067 | |
| 188 | P | C | -1.0641 | |
| 189 | G | C | -0.7935 | |
| 190 | P | C | -0.6376 | |
| 191 | C | C | -0.3239 | |
| 192 | R | C | -1.2041 | |
| 193 | A | C | -0.4475 | |
| 194 | L | C | 0.2488 | |
| 195 | E | C | -1.3897 | |
| 196 | G | C | -1.5138 | |
| 197 | G | C | -1.7674 | |
| 198 | Q | C | -1.9413 | |
| 199 | A | C | -1.1086 | |
| 200 | E | C | -1.4300 | |
| 201 | V | C | 0.1278 | |
| 202 | R | C | -1.1314 | |
| 203 | L | C | -0.5342 | |
| 204 | R | C | -2.4129 | |
| 205 | R | C | -3.0879 | |
| 206 | N | C | -2.6983 | |
| 207 | A | C | -1.1163 | |
| 208 | S | C | -0.5407 | |
| 209 | S | C | -0.3851 | |
| 210 | A | C | -0.5546 | |
| 211 | G | C | -1.0783 | |
| 212 | R | C | -1.6368 | |
| 213 | L | C | -0.0262 | |
| 214 | Q | C | -0.8033 | |
| 215 | G | C | -0.1184 | |
| 216 | L | C | 1.0664 | |
| 217 | A | C | 0.2161 | |
| 218 | G | C | -0.3446 | |
| 219 | G | C | -0.6007 | |
| 220 | A | C | -0.6507 | |
| 221 | P | C | -1.0895 | |
| 222 | G | C | -1.8261 | |
| 223 | Q | C | -2.7317 | |
| 224 | K | C | -3.3583 | |
| 225 | E | C | -3.3042 | |
| 226 | C | C | -1.4429 | |
| 227 | R | C | -2.1287 | |
| 228 | P | C | -0.5121 | |
| 229 | F | C | 1.2576 | |
| 230 | E | C | 0.2822 | |
| 231 | V | C | 2.5147 | |
| 232 | Y | C | 2.5841 | |
| 233 | L | C | 2.2284 | |
| 234 | P | C | 0.6699 | |
| 235 | S | C | -0.2789 | |
| 236 | G | C | -1.2013 | |
| 237 | K | C | -2.0927 | |
| 238 | M | C | -1.1738 | |
| 239 | R | C | -2.5305 | |
| 240 | P | C | -1.3640 | |
| 241 | R | C | -1.7706 | |
| 242 | S | C | -0.5346 | |
| 243 | L | C | 0.7229 | |
| 244 | E | C | -0.2357 | |
| 245 | V | C | 1.8698 | |
| 246 | T | C | 1.3457 | |
| 247 | I | C | 2.0587 | |
| 248 | S | C | 0.5719 | |
| 249 | T | C | -0.5777 | |
| 250 | G | C | -1.5522 | |
| 251 | E | C | -2.9866 | |
| 252 | K | C | -2.7835 | |
| 253 | A | C | -1.5340 | |
| 254 | P | C | -1.2068 | |
| 255 | A | C | -1.1568 | |
| 256 | N | C | -1.6767 | |
| 257 | P | C | -1.0609 | |
| 258 | E | C | -0.7027 | |
| 259 | I | C | 2.0225 | |
| 260 | L | C | 3.1014 | |
| 261 | L | C | 2.7113 | |
| 262 | T | C | 1.4701 | |
| 263 | L | C | 0.5163 | |
| 264 | E | C | -2.3067 | |
| 265 | E | C | -3.1293 | |
| 266 | K | C | -3.0042 | |
| 267 | T | C | -1.6976 | |
| 268 | A | C | -0.6406 | |
| 269 | A | C | -0.5458 | |
| 270 | N | C | -0.9559 | |
| 271 | L | C | 0.0132 | |
| 272 | D | C | -1.4458 | |
| 273 | S | C | -0.9402 | |
| 274 | A | C | -0.7157 | |
| 275 | T | C | -1.1535 | |
| 276 | E | C | -2.3573 | |
| 277 | P | C | -2.1601 | |
| 278 | R | C | -2.7382 | |
| 279 | A | C | -1.9668 | |
| 280 | R | C | -2.3586 | |
| 281 | P | C | -1.4612 | |
| 282 | T | C | -1.1281 | |
| 283 | P | C | -1.4755 | |
| 284 | D | C | -2.3002 | |
| 285 | G | C | -1.6305 | |
| 286 | G | C | -1.0533 | |
| 287 | A | C | -0.3996 | |
| 288 | S | C | -0.6441 | |
| 289 | A | C | -0.7013 | |
| 290 | D | C | -1.4147 | |
| 291 | L | C | -0.6540 | |
| 292 | K | C | -2.2114 | |
| 293 | E | C | -2.6111 | |
| 294 | G | C | -2.0674 | |
| 295 | P | C | -1.4676 | |
| 296 | G | C | -1.5696 | |
| 297 | N | C | -2.3033 | |
| 298 | P | C | -2.1482 | |
| 299 | E | C | -2.7070 | |
| 300 | H | C | -1.8612 | |
| 301 | S | C | -0.2777 | |
| 302 | V | C | 0.8456 | |
| 303 | T | C | -0.0095 | |
| 304 | G | C | -1.2361 | |
| 305 | R | C | -2.3016 | |
| 306 | P | C | -1.7680 | |
| 307 | P | C | -1.8680 | |
| 308 | D | C | -2.1842 | |
| 309 | T | C | -0.9825 | |
| 310 | A | C | -0.4867 | |
| 311 | A | C | -0.4900 | |
| 312 | S | C | -0.6733 | |
| 313 | P | C | -1.1933 | |
| 314 | R | C | -1.8283 | |
| 315 | C | C | -0.8550 | |
| 316 | H | C | -1.2967 | |
| 317 | A | C | -1.5059 | |
| 318 | Q | C | -2.4872 | |
| 319 | E | C | -3.1365 | |
| 320 | G | C | -2.5550 | |
| 321 | D | C | -2.2876 | |
| 322 | P | C | -1.0320 | |
| 323 | V | C | 0.0428 | |
| 324 | D | C | -1.3197 | |
| 325 | G | C | -0.8501 | |
| 326 | T | C | 0.0953 | |
| 327 | C | C | 1.0425 | |
| 328 | V | C | 0.7223 | |
| 329 | R | C | -1.6580 | |
| 330 | D | C | -2.2839 | |
| 331 | S | C | -1.2724 | |
| 332 | C | C | 0.5397 | |
| 333 | S | C | 0.8442 | |
| 334 | F | C | 1.4820 | |
| 335 | P | C | -0.1217 | |
| 336 | E | C | -1.1274 | |
| 337 | A | C | -0.0419 | |
| 338 | V | C | 1.1764 | |
| 339 | S | C | 0.0821 | |
| 340 | G | C | -0.8479 | |
| 341 | H | C | -1.6881 | |
| 342 | P | C | -1.4583 | |
| 343 | Q | C | -1.6809 | |
| 344 | A | C | -1.0341 | |
| 345 | S | C | -1.0145 | |
| 346 | G | C | -1.2546 | |
| 347 | S | C | -1.4784 | |
| 348 | R | C | -2.3220 | |
| 349 | S | C | -1.4693 | |
| 350 | P | C | -1.0277 | |
| 351 | G | C | -0.7934 | |
| 352 | C | C | -0.1094 | |
| 353 | P | C | -1.0149 | |
| 354 | R | C | -2.1244 | |
| 355 | C | C | -1.3705 | |
| 356 | Q | C | -2.5122 | |
| 357 | D | C | -3.1047 | |
| 358 | S | C | -2.6862 | |
| 359 | H | C | -3.4627 | |
| 360 | E | C | -4.1293 | |
| 361 | R | C | -3.9919 | |
| 362 | K | C | -3.6523 | |
| 363 | S | C | -2.1940 | |
| 364 | P | C | -1.4220 | |
| 365 | G | C | -0.9519 | |
| 366 | S | C | -0.1184 | |
| 367 | L | C | 0.4889 | |
| 368 | S | C | -0.0548 | |
| 369 | P | C | -0.1485 | |
| 370 | Q | C | -0.4396 | |
| 371 | P | C | -0.5618 | |
| 372 | L | C | -0.1213 | |
| 373 | P | C | 0.0000 | |
| 374 | Q | C | 0.0000 | |
| 375 | C | C | 0.0000 | |
| 376 | K | C | -1.8512 | |
| 377 | R | C | 0.0000 | |
| 378 | H | C | 0.0000 | |
| 379 | L | C | -0.7915 | |
| 380 | K | C | -2.0227 | |
| 381 | Q | C | 0.0000 | |
| 382 | V | C | 0.0975 | |
| 383 | Q | C | 0.0000 | |
| 384 | L | C | 0.7567 | |
| 385 | L | C | -0.0441 | |
| 386 | F | C | 0.0000 | |
| 387 | C | C | 0.0000 | |
| 388 | E | C | -2.0080 | |
| 389 | D | C | -2.2383 | |
| 390 | H | C | 0.0000 | |
| 391 | D | C | -2.1344 | |
| 392 | E | C | 0.0000 | |
| 393 | P | C | 0.0000 | |
| 394 | I | C | 0.0000 | |
| 395 | C | C | 0.0000 | |
| 396 | L | C | 1.7032 | |
| 397 | I | C | 1.8696 | |
| 398 | C | C | 0.0000 | |
| 399 | S | C | 0.4092 | |
| 400 | L | C | 1.4148 | |
| 401 | S | C | 0.0000 | |
| 402 | Q | C | -2.3592 | |
| 403 | E | C | 0.0000 | |
| 404 | H | C | 0.0000 | |
| 405 | Q | C | -2.1398 | |
| 406 | G | C | -1.7459 | |
| 407 | H | C | -2.2156 | |
| 408 | R | C | -2.3141 | |
| 409 | V | C | -1.0904 | |
| 410 | R | C | -1.3941 | |
| 411 | P | C | -0.8979 | |
| 412 | I | C | 0.0000 | |
| 413 | E | C | -2.3376 | |
| 414 | E | C | -2.2731 | |
| 415 | V | C | 0.0000 | |
| 416 | A | C | 0.0000 | |
| 417 | L | C | -1.5964 | |
| 418 | E | C | -3.0710 | |
| 419 | H | C | 0.0000 | |
| 420 | K | C | -2.6147 | |
| 421 | K | C | -3.6377 | |
| 422 | K | C | -3.6777 | |
| 423 | I | C | 0.0000 | |
| 424 | Q | C | -3.5717 | |
| 425 | K | C | -3.6710 | |
| 426 | Q | C | 0.0000 | |
| 427 | L | C | 0.0000 | |
| 428 | E | C | -3.1685 | |
| 429 | H | C | -3.0596 | |
| 430 | L | C | 0.0000 | |
| 431 | K | C | -3.3069 | |
| 432 | K | C | -3.6457 | |
| 433 | L | C | -3.0371 | |
| 434 | R | C | -3.4452 | |
| 435 | K | C | -3.8878 | |
| 436 | S | C | -3.0537 | |
| 437 | G | C | 0.0000 | |
| 438 | E | C | -3.1412 | |
| 439 | E | C | -3.1065 | |
| 440 | Q | C | -2.5364 | |
| 441 | R | C | -2.8441 | |
| 442 | S | C | -2.2100 | |
| 443 | Y | C | -1.2582 | |
| 444 | G | C | -2.4119 | |
| 445 | E | C | -3.1709 | |
| 446 | E | C | -2.5014 | |
| 447 | K | C | -1.9387 | |
| 448 | A | C | -1.6743 | |
| 449 | V | C | -1.2112 | |
| 450 | S | C | -1.3902 | |
| 451 | F | C | -0.5563 | |
| 452 | L | C | -0.7896 | |
| 453 | K | C | -2.0695 | |
| 454 | Q | C | -1.7021 | |
| 455 | T | C | -1.3923 | |
| 456 | E | C | -2.3281 | |
| 457 | A | C | -1.8357 | |
| 458 | L | C | -1.2419 | |
| 459 | K | C | -2.3401 | |
| 460 | Q | C | -3.2337 | |
| 461 | R | C | -3.4961 | |
| 462 | V | C | -2.6208 | |
| 463 | Q | C | -3.4336 | |
| 464 | R | C | -4.4310 | |
| 465 | K | C | -3.6777 | |
| 466 | L | C | -2.3047 | |
| 467 | E | C | -2.7712 | |
| 468 | Q | C | -1.8280 | |
| 469 | V | C | -0.5074 | |
| 470 | Y | C | -0.2952 | |
| 471 | Y | C | 0.3767 | |
| 472 | F | C | 0.8017 | |
| 473 | L | C | -0.1465 | |
| 474 | E | C | -1.4027 | |
| 475 | Q | C | -0.7412 | |
| 476 | Q | C | -0.3695 | |
| 477 | E | C | -1.4552 | |
| 478 | H | C | -0.8981 | |
| 479 | F | C | 0.4289 | |
| 480 | F | C | 0.0000 | |
| 481 | V | C | -0.5130 | |
| 482 | A | C | -0.4101 | |
| 483 | S | C | 0.0000 | |
| 484 | L | C | -0.6689 | |
| 485 | E | C | -2.5614 | |
| 486 | D | C | -2.0001 | |
| 487 | V | C | 0.0000 | |
| 488 | G | C | -1.6354 | |
| 489 | Q | C | -1.6782 | |
| 490 | M | C | -1.0019 | |
| 491 | V | C | 0.0000 | |
| 492 | G | C | 0.0000 | |
| 493 | Q | C | -0.6548 | |
| 494 | I | C | -0.1759 | |
| 495 | R | C | 0.0000 | |
| 496 | K | C | -0.7649 | |
| 497 | A | C | -0.6574 | |
| 498 | Y | C | 0.0000 | |
| 499 | D | C | -1.1240 | |
| 500 | T | C | -1.1561 | |
| 501 | R | C | -1.9794 | |
| 502 | V | C | 0.0000 | |
| 503 | S | C | -1.4126 | |
| 504 | Q | C | -1.8577 | |
| 505 | D | C | -0.9768 | |
| 506 | I | C | -0.7202 | |
| 507 | A | C | -0.8911 | |
| 508 | L | C | -0.2924 | |
| 509 | L | C | -0.5094 | |
| 510 | D | C | -1.8095 | |
| 511 | A | C | -0.8242 | |
| 512 | L | C | 0.0000 | |
| 513 | I | C | 0.0000 | |
| 514 | G | C | -1.2247 | |
| 515 | E | C | -1.1181 | |
| 516 | L | C | 0.0000 | |
| 517 | E | C | -1.2478 | |
| 518 | A | C | -0.6345 | |
| 519 | K | C | 0.0000 | |
| 520 | E | C | 0.0000 | |
| 521 | C | C | -0.5909 | |
| 522 | Q | C | -0.9102 | |
| 523 | S | C | -0.8873 | |
| 524 | E | C | 0.0000 | |
| 525 | W | C | -0.8483 | |
| 526 | E | C | -2.3211 | |
| 527 | L | C | 0.0000 | |
| 528 | L | C | -1.6028 | |
| 529 | Q | C | -2.6416 | |
| 530 | D | C | -3.1519 | |
| 531 | I | C | 0.0000 | |
| 532 | G | C | -2.1891 | |
| 533 | D | C | -3.2551 | |
| 534 | I | C | 0.0000 | |
| 535 | L | C | -2.0901 | |
| 536 | H | C | -2.5645 | |
| 537 | R | C | -2.1226 | |
| 538 | A | C | 0.0000 | |
| 539 | K | C | -2.4839 | |
| 540 | T | C | -1.1090 | |
| 541 | V | C | -0.2135 | |
| 542 | P | C | 0.3103 | |
| 543 | V | C | 1.1883 | |
| 544 | P | C | -0.4142 | |
| 545 | E | C | -1.6541 | |
| 546 | K | C | -1.7405 | |
| 547 | W | C | -0.8269 | |
| 548 | T | C | -0.6987 | |
| 549 | T | C | -0.9627 | |
| 550 | P | C | -1.4836 | |
| 551 | Q | C | -2.7339 | |
| 552 | E | C | -2.8497 | |
| 553 | I | C | 0.0000 | |
| 554 | K | C | -3.0246 | |
| 555 | Q | C | -2.6694 | |
| 556 | K | C | -1.8206 | |
| 557 | I | C | -1.2423 | |
| 558 | Q | C | -1.2398 | |
| 559 | L | C | -0.2549 | |
| 560 | L | C | -0.1022 | |
| 561 | H | C | -0.5431 | |
| 562 | Q | C | -0.5562 | |
| 563 | K | C | -0.0375 | |
| 564 | S | C | 0.0000 | |
| 565 | E | C | -0.4767 | |
| 566 | F | C | 0.0427 | |
| 567 | V | C | 0.0000 | |
| 568 | E | C | -0.8087 | |
| 569 | K | C | -1.1459 | |
| 570 | S | C | -0.2205 | |
| 571 | T | C | 0.0000 | |
| 572 | K | C | -0.8637 | |
| 573 | Y | C | 0.2261 | |
| 574 | F | C | 0.3043 | |
| 575 | S | C | 0.0000 | |
| 576 | E | C | -1.2216 | |
| 577 | T | C | -0.7642 | |
| 578 | L | C | -0.9451 | |
| 579 | R | C | 0.0000 | |
| 580 | S | C | -1.3867 | |
| 581 | E | C | -1.9624 | |
| 582 | M | C | 0.0000 | |
| 583 | E | C | -1.7537 | |
| 584 | M | C | -0.4357 | |
| 585 | F | C | 0.6983 | |
| 586 | N | C | -0.7442 | |
| 587 | V | C | -0.3745 | |
| 588 | P | C | -0.6073 | |
| 589 | E | C | -1.8666 | |
| 590 | L | C | 0.0000 | |
| 591 | I | C | 0.7132 | |
| 592 | G | C | -0.0080 | |
| 593 | A | C | 0.0000 | |
| 594 | Q | C | -0.2054 | |
| 595 | A | C | -0.0091 | |
| 596 | H | C | -0.5154 | |
| 597 | A | C | -0.6136 | |
| 598 | V | C | -0.4625 | |
| 599 | N | C | -0.6599 | |
| 600 | V | C | 0.0000 | |
| 601 | I | C | 0.2796 | |
| 602 | L | C | 0.0000 | |
| 603 | D | C | -0.7848 | |
| 604 | A | C | -0.7853 | |
| 605 | E | C | -2.3183 | |
| 606 | T | C | 0.0000 | |
| 607 | A | C | 0.0000 | |
| 608 | Y | C | -0.8781 | |
| 609 | P | C | -1.6276 | |
| 610 | N | C | -1.3701 | |
| 611 | L | C | 0.0000 | |
| 612 | I | C | -0.4316 | |
| 613 | F | C | -0.5517 | |
| 614 | S | C | -1.4046 | |
| 615 | D | C | -2.4801 | |
| 616 | D | C | -2.3686 | |
| 617 | L | C | -0.8584 | |
| 618 | K | C | -0.8076 | |
| 619 | S | C | -0.8566 | |
| 620 | V | C | 0.0000 | |
| 621 | R | C | -1.2811 | |
| 622 | L | C | -0.9045 | |
| 623 | G | C | -1.2033 | |
| 624 | N | C | -1.4744 | |
| 625 | K | C | -1.8694 | |
| 626 | W | C | -0.5435 | |
| 627 | E | C | -1.4268 | |
| 628 | R | C | -2.3827 | |
| 629 | L | C | -1.3600 | |
| 630 | P | C | -1.7862 | |
| 631 | D | C | -2.7630 | |
| 632 | G | C | -1.8556 | |
| 633 | P | C | -1.6830 | |
| 634 | Q | C | -2.0789 | |
| 635 | R | C | 0.0000 | |
| 636 | F | C | 0.0000 | |
| 637 | D | C | -2.4014 | |
| 638 | S | C | -1.3629 | |
| 639 | C | C | -0.5993 | |
| 640 | I | C | 0.1136 | |
| 641 | I | C | 0.0000 | |
| 642 | V | C | 0.0000 | |
| 643 | L | C | 0.0000 | |
| 644 | G | C | 0.0000 | |
| 645 | S | C | -0.1083 | |
| 646 | P | C | -0.1011 | |
| 647 | S | C | -0.0492 | |
| 648 | F | C | 0.0000 | |
| 649 | L | C | 1.0692 | |
| 650 | S | C | -0.1717 | |
| 651 | G | C | -0.7908 | |
| 652 | R | C | -1.2183 | |
| 653 | R | C | -1.1310 | |
| 654 | Y | C | 0.0000 | |
| 655 | W | C | 0.0000 | |
| 656 | E | C | 0.0000 | |
| 657 | V | C | 0.0000 | |
| 658 | E | C | -1.9987 | |
| 659 | V | C | 0.0000 | |
| 660 | G | C | -2.1088 | |
| 661 | D | C | -2.8569 | |
| 662 | K | C | 0.0000 | |
| 663 | T | C | 0.0000 | |
| 664 | A | C | -1.4529 | |
| 665 | W | C | 0.0000 | |
| 666 | I | C | 0.3835 | |
| 667 | L | C | 0.0000 | |
| 668 | G | C | 0.0000 | |
| 669 | A | C | 0.0000 | |
| 670 | C | C | 0.0000 | |
| 671 | K | C | -0.5726 | |
| 672 | T | C | -0.3946 | |
| 673 | S | C | -0.5016 | |
| 674 | I | C | 0.0000 | |
| 675 | S | C | -0.9925 | |
| 676 | R | C | -1.6227 | |
| 677 | K | C | -2.1527 | |
| 678 | G | C | -1.6595 | |
| 679 | N | C | -1.3232 | |
| 680 | M | C | -0.5710 | |
| 681 | T | C | -0.4076 | |
| 682 | L | C | -0.2481 | |
| 683 | S | C | 0.0000 | |
| 684 | P | C | -1.1018 | |
| 685 | E | C | -2.1173 | |
| 686 | N | C | -1.5309 | |
| 687 | G | C | 0.0000 | |
| 688 | Y | C | 0.0000 | |
| 689 | W | C | 0.0000 | |
| 690 | V | C | 0.0000 | |
| 691 | V | C | 0.0000 | |
| 692 | I | C | 0.0000 | |
| 693 | M | C | 0.0000 | |
| 694 | M | C | -1.0384 | |
| 695 | K | C | -2.9189 | |
| 696 | E | C | -3.5277 | |
| 697 | N | C | -2.7684 | |
| 698 | E | C | -1.7374 | |
| 699 | Y | C | 0.0000 | |
| 700 | Q | C | 0.0000 | |
| 701 | A | C | 0.0000 | |
| 702 | S | C | 0.0000 | |
| 703 | S | C | -0.2242 | |
| 704 | V | C | -0.1078 | |
| 705 | P | C | -0.3420 | |
| 706 | P | C | 0.0000 | |
| 707 | T | C | -0.5471 | |
| 708 | R | C | -0.9758 | |
| 709 | L | C | 0.0000 | |
| 710 | L | C | 0.5585 | |
| 711 | I | C | -0.6464 | |
| 712 | K | C | -1.9716 | |
| 713 | E | C | -2.1295 | |
| 714 | P | C | -2.1202 | |
| 715 | P | C | 0.0000 | |
| 716 | K | C | -2.5391 | |
| 717 | R | C | -2.0296 | |
| 718 | V | C | 0.0000 | |
| 719 | G | C | 0.0000 | |
| 720 | I | C | 0.0000 | |
| 721 | F | C | 0.0000 | |
| 722 | V | C | 0.0000 | |
| 723 | D | C | 0.0000 | |
| 724 | Y | C | -0.6210 | |
| 725 | R | C | -1.6424 | |
| 726 | V | C | -0.4408 | |
| 727 | G | C | 0.0000 | |
| 728 | S | C | 0.0000 | |
| 729 | I | C | 0.0000 | |
| 730 | S | C | 0.0000 | |
| 731 | F | C | 0.0000 | |
| 732 | Y | C | 0.0000 | |
| 733 | N | C | 0.0000 | |
| 734 | V | C | -1.0434 | |
| 735 | T | C | -1.3905 | |
| 736 | A | C | -1.6310 | |
| 737 | R | C | -1.9961 | |
| 738 | S | C | -1.5454 | |
| 739 | H | C | -0.9487 | |
| 740 | I | C | 0.1435 | |
| 741 | Y | C | 0.1200 | |
| 742 | T | C | -0.0923 | |
| 743 | F | C | 0.0000 | |
| 744 | A | C | -0.4302 | |
| 745 | S | C | -0.2591 | |
| 746 | C | C | -0.5187 | |
| 747 | S | C | -0.6651 | |
| 748 | F | C | 0.0000 | |
| 749 | S | C | -0.6833 | |
| 750 | G | C | -0.1927 | |
| 751 | P | C | 0.2498 | |
| 752 | L | C | 0.0000 | |
| 753 | Q | C | 0.0000 | |
| 754 | P | C | 0.0000 | |
| 755 | I | C | 0.0000 | |
| 756 | F | C | 0.0000 | |
| 757 | S | C | 0.0000 | |
| 758 | P | C | 0.0000 | |
| 759 | G | C | -0.5617 | |
| 760 | T | C | -1.2011 | |
| 761 | R | C | -2.3017 | |
| 762 | D | C | -2.4900 | |
| 763 | G | C | -1.8945 | |
| 764 | G | C | -2.0476 | |
| 765 | K | C | -2.7998 | |
| 766 | N | C | 0.0000 | |
| 767 | T | C | -1.5747 | |
| 768 | A | C | -1.1676 | |
| 769 | P | C | -0.8222 | |
| 770 | L | C | 0.0000 | |
| 771 | T | C | -0.6571 | |
| 772 | I | C | 0.0000 | |
| 773 | C | C | -0.5339 | |
| 774 | P | C | -0.7633 | |
| 775 | V | C | -0.5320 | |
| 776 | G | C | -0.8797 | |
| 777 | G | C | -0.9882 | |
| 778 | Q | C | -1.3048 | |
| 779 | G | C | -1.3888 | |
| 780 | P | C | -1.6135 | |
| 781 | D | C | -2.1495 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.8539 | 4.9204 | View | CSV | PDB |
| 4.5 | -0.9286 | 4.8785 | View | CSV | PDB |
| 5.0 | -1.0231 | 4.8077 | View | CSV | PDB |
| 5.5 | -1.1191 | 4.7174 | View | CSV | PDB |
| 6.0 | -1.1975 | 4.6227 | View | CSV | PDB |
| 6.5 | -1.2444 | 4.5381 | View | CSV | PDB |
| 7.0 | -1.2571 | 4.4779 | View | CSV | PDB |
| 7.5 | -1.2454 | 4.4462 | View | CSV | PDB |
| 8.0 | -1.2203 | 4.4335 | View | CSV | PDB |
| 8.5 | -1.187 | 4.4291 | View | CSV | PDB |
| 9.0 | -1.1458 | 4.4276 | View | CSV | PDB |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine