| Chain sequence(s) |
A: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR
C: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR B: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR D: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR input PDB |
| Selected Chain(s) | A,C,B,D |
| 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] (00:00:12)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:12)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:12)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:12)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:26)
[INFO] FoldX: Starting FoldX energy minimization (00:00:27)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (01:07:58)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c33730827e22bc5/tmp/folded.pdb (01:07:58)
[INFO] Main: Simulation completed successfully. (01:50:26)
|
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 | A | A | -1.5174 | |
| 2 | K | A | -2.4049 | |
| 3 | F | A | 0.0000 | |
| 4 | P | A | -2.0169 | |
| 5 | K | A | -2.8580 | |
| 6 | N | A | -2.3570 | |
| 7 | F | A | 0.0000 | |
| 8 | M | A | -0.9300 | |
| 9 | F | A | 0.0000 | |
| 10 | G | A | 0.0000 | |
| 11 | Y | A | 0.0000 | |
| 12 | S | A | 0.0000 | |
| 13 | W | A | 0.0000 | |
| 14 | S | A | 0.0000 | |
| 15 | G | A | -0.1605 | |
| 16 | F | A | 0.0000 | |
| 17 | Q | A | 0.0000 | |
| 18 | F | A | 0.0000 | |
| 19 | E | A | 0.0000 | |
| 20 | M | A | 0.0000 | |
| 21 | G | A | -1.1326 | |
| 22 | L | A | -0.5883 | |
| 23 | P | A | -0.8290 | |
| 24 | G | A | -1.1124 | |
| 25 | S | A | 0.0000 | |
| 26 | E | A | -2.0071 | |
| 27 | V | A | -1.4186 | |
| 28 | E | A | -1.8385 | |
| 29 | S | A | 0.0000 | |
| 30 | D | A | 0.0000 | |
| 31 | W | A | 0.0000 | |
| 32 | W | A | -0.2892 | |
| 33 | V | A | -0.1188 | |
| 34 | W | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | H | A | -0.6972 | |
| 37 | D | A | -0.9977 | |
| 38 | K | A | -1.6697 | |
| 39 | E | A | 0.0000 | |
| 40 | N | A | 0.0000 | |
| 41 | I | A | -0.4476 | |
| 42 | A | A | -0.2928 | |
| 43 | S | A | -0.5717 | |
| 44 | G | A | -0.6012 | |
| 45 | L | A | 0.0000 | |
| 46 | V | A | 0.0000 | |
| 47 | S | A | -0.7665 | |
| 48 | G | A | -1.1123 | |
| 49 | D | A | -1.1399 | |
| 50 | L | A | -0.0264 | |
| 51 | P | A | 0.0000 | |
| 52 | E | A | -1.3633 | |
| 53 | N | A | -1.5190 | |
| 54 | G | A | 0.0000 | |
| 55 | P | A | 0.0000 | |
| 56 | A | A | 0.0000 | |
| 57 | Y | A | 0.0000 | |
| 58 | W | A | 0.0000 | |
| 59 | H | A | -1.1656 | |
| 60 | L | A | -0.7681 | |
| 61 | Y | A | 0.0000 | |
| 62 | K | A | -2.3758 | |
| 63 | Q | A | -2.0599 | |
| 64 | D | A | 0.0000 | |
| 65 | H | A | 0.0000 | |
| 66 | D | A | -2.9136 | |
| 67 | I | A | 0.0000 | |
| 68 | A | A | 0.0000 | |
| 69 | E | A | -2.0999 | |
| 70 | K | A | -1.9937 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | -1.3377 | |
| 73 | M | A | 0.0000 | |
| 74 | D | A | -1.0069 | |
| 75 | C | A | 0.0000 | |
| 76 | I | A | 0.0000 | |
| 77 | R | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | G | A | -0.1608 | |
| 80 | I | A | 0.0000 | |
| 81 | E | A | -0.2345 | |
| 82 | W | A | 0.0000 | |
| 83 | A | A | 0.0000 | |
| 84 | R | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | P | A | -0.8870 | |
| 88 | K | A | -0.8532 | |
| 89 | P | A | -0.5633 | |
| 90 | T | A | 0.0000 | |
| 91 | F | A | -0.4579 | |
| 92 | D | A | -1.8707 | |
| 93 | V | A | 0.0000 | |
| 94 | K | A | -2.4104 | |
| 95 | V | A | -2.0084 | |
| 96 | D | A | -2.9873 | |
| 97 | V | A | -2.2106 | |
| 98 | E | A | -3.2097 | |
| 99 | K | A | -4.0809 | |
| 100 | D | A | -4.2426 | |
| 101 | E | A | -4.0802 | |
| 102 | E | A | -3.6442 | |
| 103 | G | A | -3.3563 | |
| 104 | N | A | -2.2677 | |
| 105 | I | A | 0.0000 | |
| 106 | I | A | -0.5311 | |
| 107 | S | A | -1.1003 | |
| 108 | V | A | -1.8025 | |
| 109 | D | A | -2.8620 | |
| 110 | V | A | 0.0000 | |
| 111 | P | A | -2.0848 | |
| 112 | E | A | -2.6236 | |
| 113 | S | A | -2.2709 | |
| 114 | T | A | 0.0000 | |
| 115 | I | A | 0.0000 | |
| 116 | K | A | -3.6742 | |
| 117 | E | A | -3.7144 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | -3.0887 | |
| 120 | K | A | -2.9213 | |
| 121 | I | A | -1.4703 | |
| 122 | A | A | 0.0000 | |
| 123 | N | A | -1.5276 | |
| 124 | M | A | -1.6807 | |
| 125 | E | A | -2.5267 | |
| 126 | A | A | -1.8498 | |
| 127 | L | A | 0.0000 | |
| 128 | E | A | -3.1879 | |
| 129 | H | A | -2.3727 | |
| 130 | Y | A | 0.0000 | |
| 131 | R | A | -2.4837 | |
| 132 | K | A | -2.6665 | |
| 133 | I | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | S | A | -2.3857 | |
| 136 | D | A | 0.0000 | |
| 137 | W | A | 0.0000 | |
| 138 | K | A | -3.2894 | |
| 139 | E | A | -2.9579 | |
| 140 | R | A | -2.4480 | |
| 141 | G | A | -2.1224 | |
| 142 | K | A | -1.8892 | |
| 143 | T | A | -0.9894 | |
| 144 | F | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | N | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | Y | A | 0.0000 | |
| 150 | H | A | -0.1093 | |
| 151 | W | A | 0.1089 | |
| 152 | P | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | L | A | -0.2526 | |
| 156 | W | A | -0.1116 | |
| 157 | I | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | D | A | -0.3250 | |
| 160 | P | A | 0.0000 | |
| 161 | I | A | 0.1559 | |
| 162 | A | A | -0.3882 | |
| 163 | V | A | 0.0000 | |
| 164 | R | A | 0.0000 | |
| 165 | K | A | -0.1193 | |
| 166 | L | A | -0.1026 | |
| 167 | G | A | 0.0000 | |
| 168 | P | A | -1.4656 | |
| 169 | D | A | -2.5311 | |
| 170 | R | A | -2.4135 | |
| 171 | A | A | -1.3773 | |
| 172 | P | A | -0.9425 | |
| 173 | A | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | W | A | 0.0000 | |
| 176 | L | A | -1.4512 | |
| 177 | D | A | -2.3445 | |
| 178 | E | A | -2.9931 | |
| 179 | K | A | -2.5693 | |
| 180 | T | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | V | A | -0.8021 | |
| 183 | E | A | 0.0000 | |
| 184 | F | A | 0.0000 | |
| 185 | V | A | 0.0000 | |
| 186 | K | A | 0.0000 | |
| 187 | F | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | A | A | 0.0000 | |
| 190 | F | A | 0.0000 | |
| 191 | V | A | 0.0000 | |
| 192 | A | A | 0.0000 | |
| 193 | Y | A | 0.0893 | |
| 194 | H | A | -0.3715 | |
| 195 | L | A | 0.0000 | |
| 196 | D | A | -1.4688 | |
| 197 | D | A | -2.2627 | |
| 198 | L | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | D | A | -1.7567 | |
| 201 | M | A | -0.6337 | |
| 202 | W | A | 0.0000 | |
| 203 | S | A | 0.0000 | |
| 204 | T | A | 0.0000 | |
| 205 | M | A | 0.0000 | |
| 206 | N | A | 0.0000 | |
| 207 | E | A | 0.0000 | |
| 208 | P | A | 0.0000 | |
| 209 | N | A | -0.4052 | |
| 210 | V | A | 0.1247 | |
| 211 | V | A | 0.1216 | |
| 212 | Y | A | -0.2881 | |
| 213 | N | A | -0.5350 | |
| 214 | Q | A | -0.6659 | |
| 215 | G | A | 0.0000 | |
| 216 | Y | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | N | A | -1.1355 | |
| 219 | L | A | 0.0000 | |
| 220 | R | A | -1.9341 | |
| 221 | S | A | -1.0121 | |
| 222 | G | A | 0.0000 | |
| 223 | F | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | G | A | -0.2971 | |
| 227 | Y | A | 0.0000 | |
| 228 | L | A | -0.1599 | |
| 229 | S | A | -0.4161 | |
| 230 | F | A | -0.0200 | |
| 231 | E | A | -1.7608 | |
| 232 | A | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | E | A | -2.3073 | |
| 235 | K | A | -2.0826 | |
| 236 | A | A | 0.0000 | |
| 237 | K | A | -1.1795 | |
| 238 | F | A | -0.6902 | |
| 239 | N | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | I | A | 0.0000 | |
| 242 | Q | A | 0.0000 | |
| 243 | A | A | 0.0000 | |
| 244 | H | A | 0.0000 | |
| 245 | I | A | 0.0000 | |
| 246 | G | A | 0.0000 | |
| 247 | A | A | 0.0000 | |
| 248 | Y | A | -0.6072 | |
| 249 | D | A | -1.2502 | |
| 250 | A | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | K | A | -2.1151 | |
| 253 | E | A | -2.6163 | |
| 254 | Y | A | -1.2562 | |
| 255 | S | A | -2.0148 | |
| 256 | E | A | -2.6058 | |
| 257 | K | A | -1.6846 | |
| 258 | S | A | -0.9663 | |
| 259 | V | A | 0.0000 | |
| 260 | G | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | I | A | 0.0000 | |
| 263 | Y | A | 0.0000 | |
| 264 | A | A | -0.0663 | |
| 265 | F | A | 0.0000 | |
| 266 | A | A | -0.1207 | |
| 267 | W | A | 0.0000 | |
| 268 | H | A | 0.0000 | |
| 269 | D | A | -0.5541 | |
| 270 | P | A | -1.2935 | |
| 271 | L | A | 0.1855 | |
| 272 | A | A | -1.2489 | |
| 273 | E | A | -3.2399 | |
| 274 | E | A | -3.4836 | |
| 275 | Y | A | -3.0552 | |
| 276 | K | A | -4.2879 | |
| 277 | D | A | -4.3253 | |
| 278 | E | A | -3.8819 | |
| 279 | V | A | 0.0000 | |
| 280 | E | A | -3.1947 | |
| 281 | E | A | -3.2154 | |
| 282 | I | A | -2.1321 | |
| 283 | R | A | -2.4962 | |
| 284 | K | A | -2.7923 | |
| 285 | K | A | -3.3241 | |
| 286 | D | A | -2.7538 | |
| 287 | Y | A | 0.0000 | |
| 288 | E | A | -2.0716 | |
| 289 | F | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | T | A | -1.0227 | |
| 292 | I | A | -0.3285 | |
| 293 | L | A | 0.0000 | |
| 294 | H | A | -1.0991 | |
| 295 | S | A | -1.0069 | |
| 296 | K | A | -1.6709 | |
| 297 | G | A | -1.4139 | |
| 298 | K | A | -1.1228 | |
| 299 | L | A | 0.0000 | |
| 300 | D | A | -0.6348 | |
| 301 | W | A | 0.0000 | |
| 302 | I | A | 0.0000 | |
| 303 | G | A | 0.0000 | |
| 304 | V | A | 0.0000 | |
| 305 | N | A | 0.0000 | |
| 306 | Y | A | 0.0000 | |
| 307 | Y | A | 0.2619 | |
| 308 | S | A | 0.0000 | |
| 309 | R | A | 0.0105 | |
| 310 | L | A | 0.4200 | |
| 311 | V | A | 0.0000 | |
| 312 | Y | A | 0.0000 | |
| 313 | G | A | 0.0000 | |
| 314 | A | A | -1.3272 | |
| 315 | K | A | -2.5405 | |
| 316 | D | A | -2.9280 | |
| 317 | G | A | -2.0839 | |
| 318 | H | A | -1.8377 | |
| 319 | L | A | -0.8236 | |
| 320 | V | A | -0.0021 | |
| 321 | P | A | 0.4198 | |
| 322 | L | A | 0.5218 | |
| 323 | P | A | -0.3355 | |
| 324 | G | A | 0.0000 | |
| 325 | Y | A | -0.1623 | |
| 326 | G | A | 0.0000 | |
| 327 | F | A | 0.4575 | |
| 328 | M | A | 0.0446 | |
| 329 | S | A | 0.0000 | |
| 330 | E | A | -2.7361 | |
| 331 | R | A | -2.7182 | |
| 332 | G | A | -1.6383 | |
| 333 | G | A | -1.3738 | |
| 334 | F | A | -1.1849 | |
| 335 | A | A | 0.0000 | |
| 336 | K | A | -2.1336 | |
| 337 | S | A | -1.1798 | |
| 338 | G | A | 0.0000 | |
| 339 | R | A | -1.0585 | |
| 340 | P | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | D | A | -1.5396 | |
| 344 | F | A | -1.0426 | |
| 345 | G | A | 0.0000 | |
| 346 | W | A | -0.1703 | |
| 347 | E | A | 0.0000 | |
| 348 | M | A | 0.0000 | |
| 349 | Y | A | -0.1472 | |
| 350 | P | A | 0.0000 | |
| 351 | E | A | -1.5862 | |
| 352 | G | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | E | A | -1.9855 | |
| 355 | N | A | -1.8516 | |
| 356 | L | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | K | A | -2.2013 | |
| 359 | Y | A | -0.9781 | |
| 360 | L | A | 0.0000 | |
| 361 | N | A | -2.1681 | |
| 362 | N | A | -1.9108 | |
| 363 | A | A | -1.1890 | |
| 364 | Y | A | 0.0000 | |
| 365 | E | A | -2.4117 | |
| 366 | L | A | -1.2700 | |
| 367 | P | A | -1.0004 | |
| 368 | M | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | E | A | 0.0000 | |
| 373 | N | A | 0.0000 | |
| 374 | G | A | 0.0000 | |
| 375 | M | A | 0.0000 | |
| 376 | A | A | 0.0000 | |
| 377 | D | A | 0.0000 | |
| 378 | A | A | -0.3423 | |
| 379 | A | A | -0.0110 | |
| 380 | D | A | 0.0000 | |
| 381 | R | A | -0.4906 | |
| 382 | Y | A | 0.0000 | |
| 383 | R | A | 0.0000 | |
| 384 | P | A | 0.0000 | |
| 385 | H | A | 0.0000 | |
| 386 | Y | A | 0.0000 | |
| 387 | L | A | 0.0000 | |
| 388 | V | A | 0.0000 | |
| 389 | S | A | 0.0000 | |
| 390 | H | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | K | A | -1.2557 | |
| 393 | A | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | Y | A | -1.1638 | |
| 396 | N | A | -1.8761 | |
| 397 | A | A | 0.0000 | |
| 398 | M | A | -2.0761 | |
| 399 | K | A | -2.8875 | |
| 400 | E | A | -3.2392 | |
| 401 | G | A | -2.5566 | |
| 402 | A | A | 0.0000 | |
| 403 | D | A | -2.0145 | |
| 404 | V | A | 0.0000 | |
| 405 | R | A | -1.5479 | |
| 406 | G | A | 0.0000 | |
| 407 | Y | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | H | A | 0.0000 | |
| 410 | W | A | 0.0000 | |
| 411 | S | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | T | A | 0.0000 | |
| 414 | D | A | 0.0000 | |
| 415 | N | A | 0.0000 | |
| 416 | Y | A | 0.0000 | |
| 417 | E | A | -0.7037 | |
| 418 | W | A | 0.0000 | |
| 419 | A | A | 0.0000 | |
| 420 | Q | A | -1.1170 | |
| 421 | G | A | 0.0000 | |
| 422 | F | A | -0.9123 | |
| 423 | R | A | -1.9593 | |
| 424 | M | A | 0.0000 | |
| 425 | R | A | -0.5025 | |
| 426 | F | A | 0.0000 | |
| 427 | G | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | Y | A | -0.3205 | |
| 431 | V | A | 0.0000 | |
| 432 | D | A | -1.3997 | |
| 433 | F | A | 0.0000 | |
| 434 | E | A | -2.4396 | |
| 435 | T | A | -1.6226 | |
| 436 | K | A | -1.5441 | |
| 437 | K | A | -1.9118 | |
| 438 | R | A | 0.0000 | |
| 439 | Y | A | 0.0000 | |
| 440 | L | A | -0.3275 | |
| 441 | R | A | 0.0000 | |
| 442 | P | A | 0.0000 | |
| 443 | S | A | 0.0000 | |
| 444 | A | A | 0.0000 | |
| 445 | L | A | -0.3555 | |
| 446 | V | A | 0.0000 | |
| 447 | F | A | 0.0000 | |
| 448 | R | A | -1.6970 | |
| 449 | E | A | -1.4749 | |
| 450 | I | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | T | A | -1.4778 | |
| 453 | Q | A | -1.7406 | |
| 454 | K | A | -2.2206 | |
| 455 | E | A | -2.3142 | |
| 456 | I | A | 0.0000 | |
| 457 | P | A | 0.0000 | |
| 458 | E | A | -2.4501 | |
| 459 | E | A | -2.1328 | |
| 460 | L | A | 0.0000 | |
| 461 | A | A | -1.5472 | |
| 462 | H | A | -1.5575 | |
| 463 | L | A | 0.0000 | |
| 464 | A | A | -1.4136 | |
| 465 | D | A | -2.3703 | |
| 466 | L | A | 0.0000 | |
| 467 | K | A | -2.1400 | |
| 468 | F | A | -0.7792 | |
| 469 | V | A | 0.0000 | |
| 470 | T | A | -1.4764 | |
| 471 | R | A | -2.2220 | |
| 1 | A | B | -0.9314 | |
| 2 | K | B | -2.4412 | |
| 3 | F | B | -1.7612 | |
| 4 | P | B | -2.0003 | |
| 5 | K | B | -2.5686 | |
| 6 | N | B | -2.3280 | |
| 7 | F | B | 0.0000 | |
| 8 | M | B | -0.7821 | |
| 9 | F | B | 0.0000 | |
| 10 | G | B | 0.0000 | |
| 11 | Y | B | 0.0000 | |
| 12 | S | B | 0.0000 | |
| 13 | W | B | 0.0000 | |
| 14 | S | B | 0.0000 | |
| 15 | G | B | 0.0000 | |
| 16 | F | B | 0.0000 | |
| 17 | Q | B | 0.0000 | |
| 18 | F | B | 0.0000 | |
| 19 | E | B | 0.0000 | |
| 20 | M | B | 0.0000 | |
| 21 | G | B | 0.0000 | |
| 22 | L | B | -0.2866 | |
| 23 | P | B | -0.7547 | |
| 24 | G | B | -0.8309 | |
| 25 | S | B | 0.0000 | |
| 26 | E | B | -1.7198 | |
| 27 | V | B | -1.3330 | |
| 28 | E | B | -1.7932 | |
| 29 | S | B | 0.0000 | |
| 30 | D | B | 0.0000 | |
| 31 | W | B | 0.0000 | |
| 32 | W | B | -0.3747 | |
| 33 | V | B | -0.0365 | |
| 34 | W | B | 0.0000 | |
| 35 | V | B | 0.0000 | |
| 36 | H | B | -0.3963 | |
| 37 | D | B | -0.7079 | |
| 38 | K | B | -1.2567 | |
| 39 | E | B | -0.5335 | |
| 40 | N | B | 0.0000 | |
| 41 | I | B | 0.2568 | |
| 42 | A | B | 0.0787 | |
| 43 | S | B | -0.4563 | |
| 44 | G | B | -0.7231 | |
| 45 | L | B | 0.0000 | |
| 46 | V | B | 0.0000 | |
| 47 | S | B | -0.6008 | |
| 48 | G | B | -0.7731 | |
| 49 | D | B | -1.2777 | |
| 50 | L | B | -0.6614 | |
| 51 | P | B | 0.0000 | |
| 52 | E | B | -1.7248 | |
| 53 | N | B | -1.8580 | |
| 54 | G | B | 0.0000 | |
| 55 | P | B | 0.0000 | |
| 56 | A | B | 0.0000 | |
| 57 | Y | B | 0.0000 | |
| 58 | W | B | -0.2842 | |
| 59 | H | B | -0.5132 | |
| 60 | L | B | -0.5224 | |
| 61 | Y | B | -0.9628 | |
| 62 | K | B | -1.8778 | |
| 63 | Q | B | -1.6662 | |
| 64 | D | B | 0.0000 | |
| 65 | H | B | 0.0000 | |
| 66 | D | B | -1.9347 | |
| 67 | I | B | -1.1757 | |
| 68 | A | B | 0.0000 | |
| 69 | E | B | -2.1490 | |
| 70 | K | B | -1.7776 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | -1.4193 | |
| 73 | M | B | 0.0000 | |
| 74 | D | B | -0.8960 | |
| 75 | C | B | 0.0000 | |
| 76 | I | B | 0.0000 | |
| 77 | R | B | 0.0000 | |
| 78 | G | B | 0.0000 | |
| 79 | G | B | 0.0000 | |
| 80 | I | B | 0.0000 | |
| 81 | E | B | 0.0000 | |
| 82 | W | B | 0.0000 | |
| 83 | A | B | 0.0000 | |
| 84 | R | B | 0.0000 | |
| 85 | I | B | 0.0000 | |
| 86 | F | B | 0.0000 | |
| 87 | P | B | -1.1341 | |
| 88 | K | B | -1.2248 | |
| 89 | P | B | -0.3349 | |
| 90 | T | B | 0.0000 | |
| 91 | F | B | 0.4985 | |
| 92 | D | B | -1.2544 | |
| 93 | V | B | -1.1009 | |
| 94 | K | B | -2.1687 | |
| 95 | V | B | 0.0000 | |
| 96 | D | B | -3.1600 | |
| 97 | V | B | -1.9273 | |
| 98 | E | B | -2.4281 | |
| 99 | K | B | -2.8041 | |
| 100 | D | B | -2.7278 | |
| 101 | E | B | -3.3420 | |
| 102 | E | B | -3.3506 | |
| 103 | G | B | 0.0000 | |
| 104 | N | B | -1.6631 | |
| 105 | I | B | 0.0000 | |
| 106 | I | B | 0.9236 | |
| 107 | S | B | -0.8017 | |
| 108 | V | B | -1.6986 | |
| 109 | D | B | -3.2442 | |
| 110 | V | B | 0.0000 | |
| 111 | P | B | -2.1275 | |
| 112 | E | B | -2.5285 | |
| 113 | S | B | -1.9184 | |
| 114 | T | B | -2.3982 | |
| 115 | I | B | 0.0000 | |
| 116 | K | B | -2.8395 | |
| 117 | E | B | -2.9462 | |
| 118 | L | B | 0.0000 | |
| 119 | E | B | -2.4897 | |
| 120 | K | B | -2.6139 | |
| 121 | I | B | -1.4801 | |
| 122 | A | B | -1.4534 | |
| 123 | N | B | -1.7028 | |
| 124 | M | B | -1.7966 | |
| 125 | E | B | -2.5880 | |
| 126 | A | B | 0.0000 | |
| 127 | L | B | 0.0000 | |
| 128 | E | B | -3.2130 | |
| 129 | H | B | -2.3779 | |
| 130 | Y | B | 0.0000 | |
| 131 | R | B | -2.3378 | |
| 132 | K | B | -2.7532 | |
| 133 | I | B | 0.0000 | |
| 134 | Y | B | 0.0000 | |
| 135 | S | B | -2.1558 | |
| 136 | D | B | -2.0326 | |
| 137 | W | B | 0.0000 | |
| 138 | K | B | -2.2471 | |
| 139 | E | B | -2.5004 | |
| 140 | R | B | -1.9303 | |
| 141 | G | B | -1.6387 | |
| 142 | K | B | -1.3473 | |
| 143 | T | B | -0.5589 | |
| 144 | F | B | 0.0000 | |
| 145 | I | B | 0.0000 | |
| 146 | L | B | 0.0000 | |
| 147 | N | B | 0.0000 | |
| 148 | L | B | 0.0000 | |
| 149 | Y | B | 0.0000 | |
| 150 | H | B | -0.0686 | |
| 151 | W | B | 0.0868 | |
| 152 | P | B | 0.0000 | |
| 153 | L | B | 0.0000 | |
| 154 | P | B | 0.0000 | |
| 155 | L | B | -0.0441 | |
| 156 | W | B | 0.0492 | |
| 157 | I | B | 0.0000 | |
| 158 | H | B | 0.0000 | |
| 159 | D | B | -0.1308 | |
| 160 | P | B | 0.0000 | |
| 161 | I | B | 0.0744 | |
| 162 | A | B | -0.2411 | |
| 163 | V | B | 0.0000 | |
| 164 | R | B | -0.3383 | |
| 165 | K | B | -0.4406 | |
| 166 | L | B | -0.5022 | |
| 167 | G | B | 0.0000 | |
| 168 | P | B | -1.1081 | |
| 169 | D | B | -1.8100 | |
| 170 | R | B | -1.1967 | |
| 171 | A | B | -0.8010 | |
| 172 | P | B | -0.5324 | |
| 173 | A | B | 0.0000 | |
| 174 | G | B | 0.0000 | |
| 175 | W | B | 0.0000 | |
| 176 | L | B | 0.0000 | |
| 177 | D | B | -1.8111 | |
| 178 | E | B | -2.6731 | |
| 179 | K | B | -2.2099 | |
| 180 | T | B | -0.9703 | |
| 181 | V | B | 0.0000 | |
| 182 | V | B | -0.7934 | |
| 183 | E | B | 0.0000 | |
| 184 | F | B | 0.0000 | |
| 185 | V | B | 0.0000 | |
| 186 | K | B | 0.0000 | |
| 187 | F | B | 0.0000 | |
| 188 | A | B | 0.0000 | |
| 189 | A | B | 0.0000 | |
| 190 | F | B | 0.0000 | |
| 191 | V | B | 0.0000 | |
| 192 | A | B | 0.0000 | |
| 193 | Y | B | -0.4051 | |
| 194 | H | B | -0.6748 | |
| 195 | L | B | 0.0000 | |
| 196 | D | B | -1.7875 | |
| 197 | D | B | -2.1931 | |
| 198 | L | B | 0.0000 | |
| 199 | V | B | 0.0000 | |
| 200 | D | B | -1.3403 | |
| 201 | M | B | -0.6359 | |
| 202 | W | B | 0.0000 | |
| 203 | S | B | 0.0000 | |
| 204 | T | B | 0.0000 | |
| 205 | M | B | 0.0000 | |
| 206 | N | B | 0.0000 | |
| 207 | E | B | -0.1410 | |
| 208 | P | B | 0.0000 | |
| 209 | N | B | -0.6929 | |
| 210 | V | B | -0.2628 | |
| 211 | V | B | 0.0000 | |
| 212 | Y | B | 0.0000 | |
| 213 | N | B | -1.0911 | |
| 214 | Q | B | -0.8529 | |
| 215 | G | B | 0.0000 | |
| 216 | Y | B | 0.0000 | |
| 217 | I | B | -0.2681 | |
| 218 | N | B | -0.9233 | |
| 219 | L | B | -0.6205 | |
| 220 | R | B | -1.2434 | |
| 221 | S | B | -0.6406 | |
| 222 | G | B | 0.0000 | |
| 223 | F | B | 0.0000 | |
| 224 | P | B | 0.0000 | |
| 225 | P | B | 0.0000 | |
| 226 | G | B | -0.4048 | |
| 227 | Y | B | 0.0000 | |
| 228 | L | B | 0.0000 | |
| 229 | S | B | 0.0000 | |
| 230 | F | B | -0.9407 | |
| 231 | E | B | -2.3315 | |
| 232 | A | B | 0.0000 | |
| 233 | A | B | -1.6097 | |
| 234 | E | B | -2.7037 | |
| 235 | K | B | -2.1468 | |
| 236 | A | B | 0.0000 | |
| 237 | K | B | -1.3576 | |
| 238 | F | B | -0.7542 | |
| 239 | N | B | 0.0000 | |
| 240 | L | B | 0.0000 | |
| 241 | I | B | 0.0000 | |
| 242 | Q | B | 0.0000 | |
| 243 | A | B | 0.0000 | |
| 244 | H | B | 0.0000 | |
| 245 | I | B | -0.1813 | |
| 246 | G | B | 0.0000 | |
| 247 | A | B | 0.0000 | |
| 248 | Y | B | -0.9559 | |
| 249 | D | B | -2.1418 | |
| 250 | A | B | 0.0000 | |
| 251 | I | B | 0.0000 | |
| 252 | K | B | -2.4431 | |
| 253 | E | B | -2.9011 | |
| 254 | Y | B | -1.6905 | |
| 255 | S | B | 0.0000 | |
| 256 | E | B | -2.7129 | |
| 257 | K | B | -1.9134 | |
| 258 | S | B | -0.9649 | |
| 259 | V | B | 0.0000 | |
| 260 | G | B | 0.0000 | |
| 261 | V | B | 0.0000 | |
| 262 | I | B | 0.0000 | |
| 263 | Y | B | 0.0000 | |
| 264 | A | B | -0.0243 | |
| 265 | F | B | 0.0000 | |
| 266 | A | B | 0.0052 | |
| 267 | W | B | 0.0000 | |
| 268 | H | B | 0.0000 | |
| 269 | D | B | -0.3302 | |
| 270 | P | B | -1.0223 | |
| 271 | L | B | 0.5743 | |
| 272 | A | B | -1.0983 | |
| 273 | E | B | -3.0999 | |
| 274 | E | B | -3.4771 | |
| 275 | Y | B | -2.8924 | |
| 276 | K | B | -4.3136 | |
| 277 | D | B | -4.7501 | |
| 278 | E | B | -4.5060 | |
| 279 | V | B | 0.0000 | |
| 280 | E | B | -4.1563 | |
| 281 | E | B | -4.5996 | |
| 282 | I | B | -3.1510 | |
| 283 | R | B | -3.4483 | |
| 284 | K | B | -4.2655 | |
| 285 | K | B | -4.0756 | |
| 286 | D | B | -3.2360 | |
| 287 | Y | B | 0.0000 | |
| 288 | E | B | -2.8298 | |
| 289 | F | B | 0.0000 | |
| 290 | V | B | 0.0000 | |
| 291 | T | B | -1.1114 | |
| 292 | I | B | -0.3342 | |
| 293 | L | B | 0.0000 | |
| 294 | H | B | -1.0500 | |
| 295 | S | B | -1.0132 | |
| 296 | K | B | -1.7185 | |
| 297 | G | B | -1.4511 | |
| 298 | K | B | -1.2532 | |
| 299 | L | B | 0.0000 | |
| 300 | D | B | -0.7426 | |
| 301 | W | B | 0.0000 | |
| 302 | I | B | 0.0000 | |
| 303 | G | B | 0.0000 | |
| 304 | V | B | 0.0000 | |
| 305 | N | B | 0.0000 | |
| 306 | Y | B | 0.0000 | |
| 307 | Y | B | 0.2940 | |
| 308 | S | B | 0.0000 | |
| 309 | R | B | 0.0000 | |
| 310 | L | B | 0.7255 | |
| 311 | V | B | 0.0000 | |
| 312 | Y | B | 0.0000 | |
| 313 | G | B | 0.0000 | |
| 314 | A | B | -0.9377 | |
| 315 | K | B | -1.9993 | |
| 316 | D | B | -2.7677 | |
| 317 | G | B | -1.9545 | |
| 318 | H | B | -1.9551 | |
| 319 | L | B | -0.6232 | |
| 320 | V | B | -0.0120 | |
| 321 | P | B | 0.5886 | |
| 322 | L | B | 0.4598 | |
| 323 | P | B | -0.1293 | |
| 324 | G | B | 0.0000 | |
| 325 | Y | B | -0.0745 | |
| 326 | G | B | 0.0000 | |
| 327 | F | B | 1.0963 | |
| 328 | M | B | 0.6082 | |
| 329 | S | B | -0.8138 | |
| 330 | E | B | -2.4328 | |
| 331 | R | B | -2.3277 | |
| 332 | G | B | -1.3425 | |
| 333 | G | B | -1.2593 | |
| 334 | F | B | -0.9760 | |
| 335 | A | B | 0.0000 | |
| 336 | K | B | -1.8809 | |
| 337 | S | B | -1.1454 | |
| 338 | G | B | -1.3313 | |
| 339 | R | B | -0.8950 | |
| 340 | P | B | 0.0000 | |
| 341 | A | B | 0.0000 | |
| 342 | S | B | 0.0000 | |
| 343 | D | B | -1.2692 | |
| 344 | F | B | -0.4060 | |
| 345 | G | B | 0.0000 | |
| 346 | W | B | 0.2409 | |
| 347 | E | B | 0.0000 | |
| 348 | M | B | 0.0000 | |
| 349 | Y | B | -0.1038 | |
| 350 | P | B | 0.0000 | |
| 351 | E | B | -1.0043 | |
| 352 | G | B | 0.0000 | |
| 353 | L | B | 0.0000 | |
| 354 | E | B | -1.2177 | |
| 355 | N | B | -1.1226 | |
| 356 | L | B | 0.0000 | |
| 357 | L | B | 0.0000 | |
| 358 | K | B | -1.7498 | |
| 359 | Y | B | -0.9534 | |
| 360 | L | B | 0.0000 | |
| 361 | N | B | -2.2102 | |
| 362 | N | B | -1.9955 | |
| 363 | A | B | -1.1535 | |
| 364 | Y | B | 0.0000 | |
| 365 | E | B | -2.4599 | |
| 366 | L | B | -1.3772 | |
| 367 | P | B | -1.2443 | |
| 368 | M | B | 0.0000 | |
| 369 | I | B | 0.0000 | |
| 370 | I | B | 0.0000 | |
| 371 | T | B | 0.0000 | |
| 372 | E | B | -0.1344 | |
| 373 | N | B | 0.0000 | |
| 374 | G | B | -0.0196 | |
| 375 | M | B | 0.0000 | |
| 376 | A | B | 0.0000 | |
| 377 | D | B | 0.0000 | |
| 378 | A | B | -0.2604 | |
| 379 | A | B | 0.0262 | |
| 380 | D | B | 0.0000 | |
| 381 | R | B | -0.4813 | |
| 382 | Y | B | 0.0000 | |
| 383 | R | B | 0.0000 | |
| 384 | P | B | 0.0000 | |
| 385 | H | B | 0.0000 | |
| 386 | Y | B | 0.0000 | |
| 387 | L | B | 0.0000 | |
| 388 | V | B | 0.0000 | |
| 389 | S | B | 0.0000 | |
| 390 | H | B | 0.0000 | |
| 391 | L | B | 0.0000 | |
| 392 | K | B | -0.8922 | |
| 393 | A | B | 0.0000 | |
| 394 | V | B | 0.0000 | |
| 395 | Y | B | -0.8625 | |
| 396 | N | B | -1.6844 | |
| 397 | A | B | 0.0000 | |
| 398 | M | B | -1.9561 | |
| 399 | K | B | -2.8889 | |
| 400 | E | B | -3.2135 | |
| 401 | G | B | -2.5680 | |
| 402 | A | B | 0.0000 | |
| 403 | D | B | -2.6774 | |
| 404 | V | B | 0.0000 | |
| 405 | R | B | -1.5910 | |
| 406 | G | B | 0.0000 | |
| 407 | Y | B | 0.0000 | |
| 408 | L | B | 0.0000 | |
| 409 | H | B | 0.0000 | |
| 410 | W | B | 0.0357 | |
| 411 | S | B | 0.0000 | |
| 412 | L | B | 0.0000 | |
| 413 | T | B | 0.0000 | |
| 414 | D | B | 0.0000 | |
| 415 | N | B | 0.0000 | |
| 416 | Y | B | 0.0000 | |
| 417 | E | B | -0.6269 | |
| 418 | W | B | 0.0000 | |
| 419 | A | B | -0.5595 | |
| 420 | Q | B | -0.9515 | |
| 421 | G | B | 0.0000 | |
| 422 | F | B | -1.0479 | |
| 423 | R | B | -1.9692 | |
| 424 | M | B | 0.0000 | |
| 425 | R | B | 0.0000 | |
| 426 | F | B | 0.0000 | |
| 427 | G | B | 0.0000 | |
| 428 | L | B | 0.0000 | |
| 429 | V | B | 0.0000 | |
| 430 | Y | B | -0.3550 | |
| 431 | V | B | 0.0000 | |
| 432 | D | B | -1.4597 | |
| 433 | F | B | -1.5310 | |
| 434 | E | B | -2.3722 | |
| 435 | T | B | -1.6261 | |
| 436 | K | B | -1.6348 | |
| 437 | K | B | -2.2172 | |
| 438 | R | B | -1.3934 | |
| 439 | Y | B | 0.0000 | |
| 440 | L | B | -0.2934 | |
| 441 | R | B | 0.0000 | |
| 442 | P | B | 0.0000 | |
| 443 | S | B | 0.0000 | |
| 444 | A | B | 0.0000 | |
| 445 | L | B | 0.0000 | |
| 446 | V | B | 0.0000 | |
| 447 | F | B | 0.0000 | |
| 448 | R | B | -1.8071 | |
| 449 | E | B | -1.3788 | |
| 450 | I | B | 0.0000 | |
| 451 | A | B | 0.0000 | |
| 452 | T | B | -1.4358 | |
| 453 | Q | B | -2.0511 | |
| 454 | K | B | -2.2733 | |
| 455 | E | B | -2.0464 | |
| 456 | I | B | -1.3406 | |
| 457 | P | B | 0.0000 | |
| 458 | E | B | -2.1750 | |
| 459 | E | B | -1.5259 | |
| 460 | L | B | 0.0000 | |
| 461 | A | B | -1.1021 | |
| 462 | H | B | -1.0683 | |
| 463 | L | B | 0.0000 | |
| 464 | A | B | -1.0452 | |
| 465 | D | B | -1.9576 | |
| 466 | L | B | 0.0000 | |
| 467 | K | B | -2.0815 | |
| 468 | F | B | -0.8788 | |
| 469 | V | B | 0.0000 | |
| 470 | T | B | -1.4489 | |
| 471 | R | B | -2.0159 | |
| 1 | A | C | -1.4328 | |
| 2 | K | C | -2.3526 | |
| 3 | F | C | 0.0000 | |
| 4 | P | C | -1.9708 | |
| 5 | K | C | -2.8872 | |
| 6 | N | C | -2.4184 | |
| 7 | F | C | 0.0000 | |
| 8 | M | C | 0.0000 | |
| 9 | F | C | 0.0000 | |
| 10 | G | C | 0.0000 | |
| 11 | Y | C | 0.0000 | |
| 12 | S | C | 0.0000 | |
| 13 | W | C | 0.0000 | |
| 14 | S | C | 0.0000 | |
| 15 | G | C | 0.0000 | |
| 16 | F | C | 0.0000 | |
| 17 | Q | C | 0.0000 | |
| 18 | F | C | 0.0000 | |
| 19 | E | C | 0.0000 | |
| 20 | M | C | 0.0000 | |
| 21 | G | C | 0.0000 | |
| 22 | L | C | -0.5139 | |
| 23 | P | C | -0.8919 | |
| 24 | G | C | -1.1267 | |
| 25 | S | C | 0.0000 | |
| 26 | E | C | -2.4429 | |
| 27 | V | C | 0.0000 | |
| 28 | E | C | -2.0302 | |
| 29 | S | C | 0.0000 | |
| 30 | D | C | 0.0000 | |
| 31 | W | C | 0.0000 | |
| 32 | W | C | 0.0000 | |
| 33 | V | C | -0.0577 | |
| 34 | W | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | H | C | -0.6582 | |
| 37 | D | C | -0.9875 | |
| 38 | K | C | -1.6733 | |
| 39 | E | C | -0.7252 | |
| 40 | N | C | 0.0000 | |
| 41 | I | C | -0.3602 | |
| 42 | A | C | -0.1958 | |
| 43 | S | C | 0.0000 | |
| 44 | G | C | -0.8505 | |
| 45 | L | C | -0.5133 | |
| 46 | V | C | 0.0000 | |
| 47 | S | C | -0.5785 | |
| 48 | G | C | -0.5551 | |
| 49 | D | C | -0.7750 | |
| 50 | L | C | 0.1967 | |
| 51 | P | C | 0.0000 | |
| 52 | E | C | -1.0334 | |
| 53 | N | C | -1.1156 | |
| 54 | G | C | 0.0000 | |
| 55 | P | C | 0.0000 | |
| 56 | A | C | 0.0000 | |
| 57 | Y | C | 0.0000 | |
| 58 | W | C | -0.5044 | |
| 59 | H | C | -0.6720 | |
| 60 | L | C | -0.7548 | |
| 61 | Y | C | -1.3998 | |
| 62 | K | C | -2.7760 | |
| 63 | Q | C | -2.4956 | |
| 64 | D | C | 0.0000 | |
| 65 | H | C | 0.0000 | |
| 66 | D | C | -3.1013 | |
| 67 | I | C | -1.8631 | |
| 68 | A | C | 0.0000 | |
| 69 | E | C | -2.6341 | |
| 70 | K | C | -2.1819 | |
| 71 | L | C | 0.0000 | |
| 72 | G | C | -1.6110 | |
| 73 | M | C | 0.0000 | |
| 74 | D | C | -1.1341 | |
| 75 | C | C | 0.0000 | |
| 76 | I | C | 0.0000 | |
| 77 | R | C | 0.0000 | |
| 78 | G | C | 0.0000 | |
| 79 | G | C | -0.0450 | |
| 80 | I | C | 0.0000 | |
| 81 | E | C | 0.0000 | |
| 82 | W | C | 0.0000 | |
| 83 | A | C | 0.0000 | |
| 84 | R | C | 0.0000 | |
| 85 | I | C | 0.0000 | |
| 86 | F | C | 0.0000 | |
| 87 | P | C | -1.3541 | |
| 88 | K | C | -1.5196 | |
| 89 | P | C | -0.5624 | |
| 90 | T | C | 0.0000 | |
| 91 | F | C | 0.4190 | |
| 92 | D | C | -1.4072 | |
| 93 | V | C | 0.0000 | |
| 94 | K | C | -2.2216 | |
| 95 | V | C | -2.0330 | |
| 96 | D | C | -2.8516 | |
| 97 | V | C | -1.8494 | |
| 98 | E | C | -2.4195 | |
| 99 | K | C | -2.4762 | |
| 100 | D | C | -2.7887 | |
| 101 | E | C | -3.3939 | |
| 102 | E | C | -3.2430 | |
| 103 | G | C | -2.4971 | |
| 104 | N | C | -1.5103 | |
| 105 | I | C | 0.0000 | |
| 106 | I | C | 0.7444 | |
| 107 | S | C | -0.6463 | |
| 108 | V | C | -1.5741 | |
| 109 | D | C | -2.8754 | |
| 110 | V | C | 0.0000 | |
| 111 | P | C | -2.1195 | |
| 112 | E | C | -2.1469 | |
| 113 | S | C | -2.1928 | |
| 114 | T | C | 0.0000 | |
| 115 | I | C | 0.0000 | |
| 116 | K | C | -3.5111 | |
| 117 | E | C | -3.8848 | |
| 118 | L | C | 0.0000 | |
| 119 | E | C | -2.4345 | |
| 120 | K | C | -2.6696 | |
| 121 | I | C | -1.7055 | |
| 122 | A | C | -1.6513 | |
| 123 | N | C | -1.5087 | |
| 124 | M | C | -1.5179 | |
| 125 | E | C | -2.4409 | |
| 126 | A | C | 0.0000 | |
| 127 | L | C | 0.0000 | |
| 128 | E | C | -2.9288 | |
| 129 | H | C | -2.0448 | |
| 130 | Y | C | 0.0000 | |
| 131 | R | C | -2.2008 | |
| 132 | K | C | -2.0622 | |
| 133 | I | C | 0.0000 | |
| 134 | Y | C | 0.0000 | |
| 135 | S | C | -2.2696 | |
| 136 | D | C | -2.5200 | |
| 137 | W | C | 0.0000 | |
| 138 | K | C | -2.7452 | |
| 139 | E | C | -3.3310 | |
| 140 | R | C | -3.5136 | |
| 141 | G | C | -2.5134 | |
| 142 | K | C | -1.9873 | |
| 143 | T | C | -0.8631 | |
| 144 | F | C | 0.0000 | |
| 145 | I | C | 0.0000 | |
| 146 | L | C | 0.0000 | |
| 147 | N | C | 0.0000 | |
| 148 | L | C | 0.0000 | |
| 149 | Y | C | 0.0000 | |
| 150 | H | C | 0.0000 | |
| 151 | W | C | 0.1573 | |
| 152 | P | C | 0.0000 | |
| 153 | L | C | 0.0000 | |
| 154 | P | C | 0.0000 | |
| 155 | L | C | -0.2581 | |
| 156 | W | C | -0.2152 | |
| 157 | I | C | 0.0000 | |
| 158 | H | C | 0.0000 | |
| 159 | D | C | -0.3833 | |
| 160 | P | C | 0.0000 | |
| 161 | I | C | 0.1725 | |
| 162 | A | C | -0.2548 | |
| 163 | V | C | 0.0000 | |
| 164 | R | C | 0.0664 | |
| 165 | K | C | 0.3599 | |
| 166 | L | C | 0.4143 | |
| 167 | G | C | -0.4820 | |
| 168 | P | C | -1.4202 | |
| 169 | D | C | -2.3473 | |
| 170 | R | C | -2.5484 | |
| 171 | A | C | -1.3938 | |
| 172 | P | C | -0.9747 | |
| 173 | A | C | 0.0000 | |
| 174 | G | C | 0.0000 | |
| 175 | W | C | 0.0000 | |
| 176 | L | C | 0.0000 | |
| 177 | D | C | -2.2412 | |
| 178 | E | C | -2.7949 | |
| 179 | K | C | -2.3694 | |
| 180 | T | C | -1.1481 | |
| 181 | V | C | 0.0000 | |
| 182 | V | C | -0.6437 | |
| 183 | E | C | 0.0000 | |
| 184 | F | C | 0.0000 | |
| 185 | V | C | 0.0000 | |
| 186 | K | C | 0.0000 | |
| 187 | F | C | 0.0000 | |
| 188 | A | C | 0.0000 | |
| 189 | A | C | 0.0000 | |
| 190 | F | C | 0.0000 | |
| 191 | V | C | 0.0000 | |
| 192 | A | C | 0.0000 | |
| 193 | Y | C | -0.0752 | |
| 194 | H | C | -0.4473 | |
| 195 | L | C | 0.0000 | |
| 196 | D | C | -1.6067 | |
| 197 | D | C | -2.1834 | |
| 198 | L | C | 0.0000 | |
| 199 | V | C | 0.0000 | |
| 200 | D | C | -1.3622 | |
| 201 | M | C | -0.6347 | |
| 202 | W | C | 0.0000 | |
| 203 | S | C | 0.0000 | |
| 204 | T | C | 0.0000 | |
| 205 | M | C | 0.0000 | |
| 206 | N | C | 0.0000 | |
| 207 | E | C | 0.0000 | |
| 208 | P | C | 0.0000 | |
| 209 | N | C | -0.5039 | |
| 210 | V | C | -0.0212 | |
| 211 | V | C | 0.0000 | |
| 212 | Y | C | -0.5652 | |
| 213 | N | C | -0.7663 | |
| 214 | Q | C | -0.7821 | |
| 215 | G | C | 0.0000 | |
| 216 | Y | C | 0.0000 | |
| 217 | I | C | -0.3246 | |
| 218 | N | C | -0.8426 | |
| 219 | L | C | -0.9611 | |
| 220 | R | C | -1.8072 | |
| 221 | S | C | -1.0074 | |
| 222 | G | C | 0.0000 | |
| 223 | F | C | 0.0000 | |
| 224 | P | C | 0.0000 | |
| 225 | P | C | 0.0000 | |
| 226 | G | C | -0.2867 | |
| 227 | Y | C | -0.1236 | |
| 228 | L | C | 0.0000 | |
| 229 | S | C | 0.0000 | |
| 230 | F | C | -0.9573 | |
| 231 | E | C | -2.4474 | |
| 232 | A | C | 0.0000 | |
| 233 | A | C | 0.0000 | |
| 234 | E | C | -2.7751 | |
| 235 | K | C | -2.3383 | |
| 236 | A | C | 0.0000 | |
| 237 | K | C | -1.2957 | |
| 238 | F | C | -0.6950 | |
| 239 | N | C | 0.0000 | |
| 240 | L | C | 0.0000 | |
| 241 | I | C | 0.0000 | |
| 242 | Q | C | 0.0000 | |
| 243 | A | C | 0.0000 | |
| 244 | H | C | 0.0000 | |
| 245 | I | C | 0.0000 | |
| 246 | G | C | 0.0000 | |
| 247 | A | C | 0.0000 | |
| 248 | Y | C | -0.6915 | |
| 249 | D | C | -1.3088 | |
| 250 | A | C | 0.0000 | |
| 251 | I | C | 0.0000 | |
| 252 | K | C | -2.1700 | |
| 253 | E | C | -2.6410 | |
| 254 | Y | C | -1.2990 | |
| 255 | S | C | 0.0000 | |
| 256 | E | C | -2.5682 | |
| 257 | K | C | -1.6078 | |
| 258 | S | C | -0.8961 | |
| 259 | V | C | 0.0000 | |
| 260 | G | C | 0.0000 | |
| 261 | V | C | 0.0000 | |
| 262 | I | C | 0.0000 | |
| 263 | Y | C | 0.0000 | |
| 264 | A | C | -0.0584 | |
| 265 | F | C | 0.0000 | |
| 266 | A | C | -0.0509 | |
| 267 | W | C | 0.0000 | |
| 268 | H | C | 0.0000 | |
| 269 | D | C | -0.3354 | |
| 270 | P | C | -1.0861 | |
| 271 | L | C | 0.6025 | |
| 272 | A | C | -1.0316 | |
| 273 | E | C | -3.1044 | |
| 274 | E | C | -3.3259 | |
| 275 | Y | C | -2.7771 | |
| 276 | K | C | -4.2642 | |
| 277 | D | C | -4.4690 | |
| 278 | E | C | -3.7426 | |
| 279 | V | C | 0.0000 | |
| 280 | E | C | -4.0658 | |
| 281 | E | C | -4.3809 | |
| 282 | I | C | -2.9314 | |
| 283 | R | C | -3.1875 | |
| 284 | K | C | -3.8444 | |
| 285 | K | C | -3.9059 | |
| 286 | D | C | -3.0565 | |
| 287 | Y | C | 0.0000 | |
| 288 | E | C | -2.4068 | |
| 289 | F | C | 0.0000 | |
| 290 | V | C | 0.0000 | |
| 291 | T | C | -1.1116 | |
| 292 | I | C | -0.3484 | |
| 293 | L | C | 0.0000 | |
| 294 | H | C | -1.2455 | |
| 295 | S | C | -0.9821 | |
| 296 | K | C | -1.6454 | |
| 297 | G | C | -1.3525 | |
| 298 | K | C | -1.0425 | |
| 299 | L | C | 0.0000 | |
| 300 | D | C | -0.6995 | |
| 301 | W | C | 0.0000 | |
| 302 | I | C | 0.0000 | |
| 303 | G | C | 0.0000 | |
| 304 | V | C | 0.0000 | |
| 305 | N | C | 0.0000 | |
| 306 | Y | C | 0.0000 | |
| 307 | Y | C | 0.3041 | |
| 308 | S | C | 0.0000 | |
| 309 | R | C | 0.0000 | |
| 310 | L | C | 0.5284 | |
| 311 | V | C | 0.0000 | |
| 312 | Y | C | 0.0000 | |
| 313 | G | C | 0.0000 | |
| 314 | A | C | -1.2345 | |
| 315 | K | C | -2.6496 | |
| 316 | D | C | -3.1088 | |
| 317 | G | C | -2.3412 | |
| 318 | H | C | -2.1412 | |
| 319 | L | C | -1.0677 | |
| 320 | V | C | -0.4866 | |
| 321 | P | C | 0.3116 | |
| 322 | L | C | 0.4318 | |
| 323 | P | C | -0.3528 | |
| 324 | G | C | -0.7906 | |
| 325 | Y | C | -0.3426 | |
| 326 | G | C | 0.0000 | |
| 327 | F | C | 0.6817 | |
| 328 | M | C | 0.0067 | |
| 329 | S | C | -1.2568 | |
| 330 | E | C | -2.7398 | |
| 331 | R | C | -2.6858 | |
| 332 | G | C | -1.4842 | |
| 333 | G | C | -1.3541 | |
| 334 | F | C | -1.1985 | |
| 335 | A | C | 0.0000 | |
| 336 | K | C | -2.1967 | |
| 337 | S | C | -1.2733 | |
| 338 | G | C | -1.4558 | |
| 339 | R | C | -0.9288 | |
| 340 | P | C | 0.0000 | |
| 341 | A | C | 0.0000 | |
| 342 | S | C | 0.0000 | |
| 343 | D | C | -1.4698 | |
| 344 | F | C | -0.7290 | |
| 345 | G | C | 0.0000 | |
| 346 | W | C | -0.0478 | |
| 347 | E | C | 0.0000 | |
| 348 | M | C | 0.0000 | |
| 349 | Y | C | -0.0471 | |
| 350 | P | C | 0.0000 | |
| 351 | E | C | -1.0608 | |
| 352 | G | C | 0.0000 | |
| 353 | L | C | 0.0000 | |
| 354 | E | C | -1.5559 | |
| 355 | N | C | -1.5514 | |
| 356 | L | C | 0.0000 | |
| 357 | L | C | 0.0000 | |
| 358 | K | C | -2.0017 | |
| 359 | Y | C | -0.8405 | |
| 360 | L | C | 0.0000 | |
| 361 | N | C | -1.8343 | |
| 362 | N | C | -1.8808 | |
| 363 | A | C | -1.0786 | |
| 364 | Y | C | 0.0000 | |
| 365 | E | C | -2.5036 | |
| 366 | L | C | -1.3019 | |
| 367 | P | C | -1.2488 | |
| 368 | M | C | 0.0000 | |
| 369 | I | C | 0.0000 | |
| 370 | I | C | 0.0000 | |
| 371 | T | C | 0.0000 | |
| 372 | E | C | 0.0000 | |
| 373 | N | C | 0.0000 | |
| 374 | G | C | 0.0000 | |
| 375 | M | C | 0.0000 | |
| 376 | A | C | 0.0000 | |
| 377 | D | C | 0.0000 | |
| 378 | A | C | -0.3201 | |
| 379 | A | C | 0.0000 | |
| 380 | D | C | 0.0000 | |
| 381 | R | C | -0.4238 | |
| 382 | Y | C | 0.0000 | |
| 383 | R | C | 0.0000 | |
| 384 | P | C | 0.0000 | |
| 385 | H | C | 0.0000 | |
| 386 | Y | C | 0.0000 | |
| 387 | L | C | 0.0000 | |
| 388 | V | C | 0.0000 | |
| 389 | S | C | 0.0000 | |
| 390 | H | C | 0.0000 | |
| 391 | L | C | 0.0000 | |
| 392 | K | C | -1.2885 | |
| 393 | A | C | 0.0000 | |
| 394 | V | C | 0.0000 | |
| 395 | Y | C | -1.1443 | |
| 396 | N | C | -1.6489 | |
| 397 | A | C | 0.0000 | |
| 398 | M | C | -1.8487 | |
| 399 | K | C | -2.6829 | |
| 400 | E | C | -2.9497 | |
| 401 | G | C | -2.2494 | |
| 402 | A | C | -2.3158 | |
| 403 | D | C | -2.4021 | |
| 404 | V | C | 0.0000 | |
| 405 | R | C | -1.9507 | |
| 406 | G | C | 0.0000 | |
| 407 | Y | C | 0.0000 | |
| 408 | L | C | 0.0000 | |
| 409 | H | C | 0.0000 | |
| 410 | W | C | 0.0000 | |
| 411 | S | C | 0.0000 | |
| 412 | L | C | 0.0000 | |
| 413 | T | C | 0.0000 | |
| 414 | D | C | 0.0000 | |
| 415 | N | C | 0.0000 | |
| 416 | Y | C | 0.0000 | |
| 417 | E | C | 0.0000 | |
| 418 | W | C | 0.0000 | |
| 419 | A | C | -0.6096 | |
| 420 | Q | C | -1.0791 | |
| 421 | G | C | 0.0000 | |
| 422 | F | C | -0.8278 | |
| 423 | R | C | -1.8407 | |
| 424 | M | C | 0.0000 | |
| 425 | R | C | 0.0000 | |
| 426 | F | C | 0.0000 | |
| 427 | G | C | 0.0000 | |
| 428 | L | C | 0.0000 | |
| 429 | V | C | 0.0000 | |
| 430 | Y | C | -0.2626 | |
| 431 | V | C | 0.0000 | |
| 432 | D | C | -1.3886 | |
| 433 | F | C | -1.3844 | |
| 434 | E | C | -2.2511 | |
| 435 | T | C | -1.5187 | |
| 436 | K | C | -1.5365 | |
| 437 | K | C | -1.9096 | |
| 438 | R | C | -1.3686 | |
| 439 | Y | C | 0.0000 | |
| 440 | L | C | -0.3921 | |
| 441 | R | C | 0.0000 | |
| 442 | P | C | 0.0000 | |
| 443 | S | C | 0.0000 | |
| 444 | A | C | 0.0000 | |
| 445 | L | C | -0.6158 | |
| 446 | V | C | 0.0000 | |
| 447 | F | C | 0.0000 | |
| 448 | R | C | -2.3155 | |
| 449 | E | C | -1.8743 | |
| 450 | I | C | 0.0000 | |
| 451 | A | C | 0.0000 | |
| 452 | T | C | -1.7826 | |
| 453 | Q | C | -2.1771 | |
| 454 | K | C | -2.2257 | |
| 455 | E | C | -2.2562 | |
| 456 | I | C | 0.0000 | |
| 457 | P | C | -1.9730 | |
| 458 | E | C | -2.4601 | |
| 459 | E | C | -2.1017 | |
| 460 | L | C | 0.0000 | |
| 461 | A | C | -1.6113 | |
| 462 | H | C | -1.8143 | |
| 463 | L | C | -1.0900 | |
| 464 | A | C | -1.3250 | |
| 465 | D | C | -2.2852 | |
| 466 | L | C | -1.4561 | |
| 467 | K | C | -2.0333 | |
| 468 | F | C | -0.4502 | |
| 469 | V | C | -0.6029 | |
| 470 | T | C | -1.0812 | |
| 471 | R | C | -2.1765 | |
| 1 | A | D | -1.0298 | |
| 2 | K | D | -2.3315 | |
| 3 | F | D | 0.0000 | |
| 4 | P | D | -2.1057 | |
| 5 | K | D | -2.7203 | |
| 6 | N | D | -2.4472 | |
| 7 | F | D | 0.0000 | |
| 8 | M | D | 0.0000 | |
| 9 | F | D | 0.0000 | |
| 10 | G | D | 0.0000 | |
| 11 | Y | D | 0.0000 | |
| 12 | S | D | 0.0000 | |
| 13 | W | D | 0.0000 | |
| 14 | S | D | 0.0000 | |
| 15 | G | D | 0.0000 | |
| 16 | F | D | 0.0000 | |
| 17 | Q | D | 0.0000 | |
| 18 | F | D | 0.0000 | |
| 19 | E | D | 0.0000 | |
| 20 | M | D | 0.0000 | |
| 21 | G | D | 0.0000 | |
| 22 | L | D | -0.6246 | |
| 23 | P | D | -0.9567 | |
| 24 | G | D | -0.9616 | |
| 25 | S | D | 0.0000 | |
| 26 | E | D | -2.1059 | |
| 27 | V | D | -1.4406 | |
| 28 | E | D | -1.8586 | |
| 29 | S | D | 0.0000 | |
| 30 | D | D | 0.0000 | |
| 31 | W | D | 0.0000 | |
| 32 | W | D | -0.2846 | |
| 33 | V | D | -0.1803 | |
| 34 | W | D | 0.0000 | |
| 35 | V | D | 0.0000 | |
| 36 | H | D | -0.4253 | |
| 37 | D | D | -0.9553 | |
| 38 | K | D | -1.8298 | |
| 39 | E | D | -0.9560 | |
| 40 | N | D | 0.0000 | |
| 41 | I | D | -0.5443 | |
| 42 | A | D | -0.5565 | |
| 43 | S | D | -0.5373 | |
| 44 | G | D | -0.5693 | |
| 45 | L | D | 0.0000 | |
| 46 | V | D | 0.0000 | |
| 47 | S | D | -0.4618 | |
| 48 | G | D | -1.0385 | |
| 49 | D | D | -0.9111 | |
| 50 | L | D | -0.1537 | |
| 51 | P | D | 0.0000 | |
| 52 | E | D | -2.0640 | |
| 53 | N | D | -1.6923 | |
| 54 | G | D | 0.0000 | |
| 55 | P | D | 0.0000 | |
| 56 | A | D | 0.0000 | |
| 57 | Y | D | 0.0000 | |
| 58 | W | D | 0.0000 | |
| 59 | H | D | -0.7055 | |
| 60 | L | D | -0.6453 | |
| 61 | Y | D | -1.2238 | |
| 62 | K | D | -2.2955 | |
| 63 | Q | D | -2.4455 | |
| 64 | D | D | 0.0000 | |
| 65 | H | D | 0.0000 | |
| 66 | D | D | -2.8423 | |
| 67 | I | D | 0.0000 | |
| 68 | A | D | 0.0000 | |
| 69 | E | D | -2.0173 | |
| 70 | K | D | -1.5756 | |
| 71 | L | D | 0.0000 | |
| 72 | G | D | -1.2735 | |
| 73 | M | D | 0.0000 | |
| 74 | D | D | -0.9212 | |
| 75 | C | D | 0.0000 | |
| 76 | I | D | 0.0000 | |
| 77 | R | D | 0.0000 | |
| 78 | G | D | 0.0000 | |
| 79 | G | D | 0.0000 | |
| 80 | I | D | 0.0000 | |
| 81 | E | D | 0.0000 | |
| 82 | W | D | 0.0000 | |
| 83 | A | D | -0.6070 | |
| 84 | R | D | 0.0000 | |
| 85 | I | D | 0.0000 | |
| 86 | F | D | 0.0000 | |
| 87 | P | D | -1.2869 | |
| 88 | K | D | -1.6977 | |
| 89 | P | D | -0.9406 | |
| 90 | T | D | 0.0000 | |
| 91 | F | D | -0.8986 | |
| 92 | D | D | -1.9054 | |
| 93 | V | D | 0.0000 | |
| 94 | K | D | -2.3756 | |
| 95 | V | D | -2.0750 | |
| 96 | D | D | -2.9997 | |
| 97 | V | D | -1.7352 | |
| 98 | E | D | -2.2697 | |
| 99 | K | D | -2.2617 | |
| 100 | D | D | -2.7201 | |
| 101 | E | D | -3.3571 | |
| 102 | E | D | -3.1873 | |
| 103 | G | D | -2.3099 | |
| 104 | N | D | -1.3133 | |
| 105 | I | D | 0.0000 | |
| 106 | I | D | 0.8675 | |
| 107 | S | D | -0.8342 | |
| 108 | V | D | -1.6176 | |
| 109 | D | D | -3.1646 | |
| 110 | V | D | 0.0000 | |
| 111 | P | D | -2.0938 | |
| 112 | E | D | -2.5381 | |
| 113 | S | D | -1.9581 | |
| 114 | T | D | 0.0000 | |
| 115 | I | D | 0.0000 | |
| 116 | K | D | -3.3267 | |
| 117 | E | D | -3.1002 | |
| 118 | L | D | 0.0000 | |
| 119 | E | D | -2.4889 | |
| 120 | K | D | -2.6752 | |
| 121 | I | D | -1.7071 | |
| 122 | A | D | 0.0000 | |
| 123 | N | D | -1.6935 | |
| 124 | M | D | -1.6421 | |
| 125 | E | D | -2.4531 | |
| 126 | A | D | -1.6757 | |
| 127 | L | D | 0.0000 | |
| 128 | E | D | -2.7570 | |
| 129 | H | D | -2.0341 | |
| 130 | Y | D | 0.0000 | |
| 131 | R | D | -2.2314 | |
| 132 | K | D | -2.4784 | |
| 133 | I | D | 0.0000 | |
| 134 | Y | D | 0.0000 | |
| 135 | S | D | -2.5808 | |
| 136 | D | D | -2.8983 | |
| 137 | W | D | 0.0000 | |
| 138 | K | D | -2.9489 | |
| 139 | E | D | -3.5186 | |
| 140 | R | D | -3.5776 | |
| 141 | G | D | -2.4181 | |
| 142 | K | D | -1.8839 | |
| 143 | T | D | -0.7177 | |
| 144 | F | D | 0.0000 | |
| 145 | I | D | 0.0000 | |
| 146 | L | D | 0.0000 | |
| 147 | N | D | 0.0000 | |
| 148 | L | D | 0.0000 | |
| 149 | Y | D | 0.0000 | |
| 150 | H | D | 0.0000 | |
| 151 | W | D | 0.0000 | |
| 152 | P | D | 0.0000 | |
| 153 | L | D | 0.0000 | |
| 154 | P | D | 0.0000 | |
| 155 | L | D | -0.2024 | |
| 156 | W | D | -0.1034 | |
| 157 | I | D | 0.0000 | |
| 158 | H | D | 0.0000 | |
| 159 | D | D | -0.1803 | |
| 160 | P | D | 0.0000 | |
| 161 | I | D | -0.0721 | |
| 162 | A | D | -0.5384 | |
| 163 | V | D | 0.0000 | |
| 164 | R | D | -0.4212 | |
| 165 | K | D | -0.8782 | |
| 166 | L | D | -0.4918 | |
| 167 | G | D | -0.9187 | |
| 168 | P | D | -1.4064 | |
| 169 | D | D | -2.4537 | |
| 170 | R | D | -2.6328 | |
| 171 | A | D | -1.5610 | |
| 172 | P | D | -0.8428 | |
| 173 | A | D | 0.0000 | |
| 174 | G | D | 0.0000 | |
| 175 | W | D | 0.0000 | |
| 176 | L | D | -1.5558 | |
| 177 | D | D | -2.0162 | |
| 178 | E | D | -2.6029 | |
| 179 | K | D | -1.9933 | |
| 180 | T | D | 0.0000 | |
| 181 | V | D | 0.0000 | |
| 182 | V | D | -0.8392 | |
| 183 | E | D | 0.0000 | |
| 184 | F | D | 0.0000 | |
| 185 | V | D | 0.0000 | |
| 186 | K | D | 0.0000 | |
| 187 | F | D | 0.0000 | |
| 188 | A | D | 0.0000 | |
| 189 | A | D | 0.0000 | |
| 190 | F | D | 0.0000 | |
| 191 | V | D | 0.0000 | |
| 192 | A | D | 0.0000 | |
| 193 | Y | D | 0.2624 | |
| 194 | H | D | -0.3187 | |
| 195 | L | D | 0.0000 | |
| 196 | D | D | -2.2345 | |
| 197 | D | D | -2.3601 | |
| 198 | L | D | 0.0000 | |
| 199 | V | D | 0.0000 | |
| 200 | D | D | -1.2135 | |
| 201 | M | D | -0.6739 | |
| 202 | W | D | 0.0000 | |
| 203 | S | D | 0.0000 | |
| 204 | T | D | 0.0000 | |
| 205 | M | D | 0.0000 | |
| 206 | N | D | 0.0000 | |
| 207 | E | D | -0.0997 | |
| 208 | P | D | 0.0000 | |
| 209 | N | D | -0.5904 | |
| 210 | V | D | 0.0297 | |
| 211 | V | D | 0.0427 | |
| 212 | Y | D | 0.0000 | |
| 213 | N | D | -0.6641 | |
| 214 | Q | D | -0.6538 | |
| 215 | G | D | 0.0000 | |
| 216 | Y | D | 0.0000 | |
| 217 | I | D | -0.2777 | |
| 218 | N | D | -0.7725 | |
| 219 | L | D | -1.0333 | |
| 220 | R | D | -2.0901 | |
| 221 | S | D | -1.0616 | |
| 222 | G | D | 0.0000 | |
| 223 | F | D | -0.1644 | |
| 224 | P | D | 0.0414 | |
| 225 | P | D | 0.0000 | |
| 226 | G | D | -0.3087 | |
| 227 | Y | D | 0.1070 | |
| 228 | L | D | 0.0000 | |
| 229 | S | D | 0.0000 | |
| 230 | F | D | -0.9664 | |
| 231 | E | D | -2.2524 | |
| 232 | A | D | 0.0000 | |
| 233 | A | D | 0.0000 | |
| 234 | E | D | -2.6958 | |
| 235 | K | D | -2.4077 | |
| 236 | A | D | 0.0000 | |
| 237 | K | D | -1.0536 | |
| 238 | F | D | -0.6076 | |
| 239 | N | D | 0.0000 | |
| 240 | L | D | 0.0000 | |
| 241 | I | D | 0.0000 | |
| 242 | Q | D | 0.0000 | |
| 243 | A | D | 0.0000 | |
| 244 | H | D | 0.0000 | |
| 245 | I | D | 0.0000 | |
| 246 | G | D | 0.0000 | |
| 247 | A | D | 0.0000 | |
| 248 | Y | D | -1.1307 | |
| 249 | D | D | -2.3498 | |
| 250 | A | D | 0.0000 | |
| 251 | I | D | 0.0000 | |
| 252 | K | D | -2.7831 | |
| 253 | E | D | -2.9650 | |
| 254 | Y | D | -1.6904 | |
| 255 | S | D | 0.0000 | |
| 256 | E | D | -3.0622 | |
| 257 | K | D | -2.4667 | |
| 258 | S | D | -1.1747 | |
| 259 | V | D | 0.0000 | |
| 260 | G | D | 0.0000 | |
| 261 | V | D | 0.0000 | |
| 262 | I | D | 0.0000 | |
| 263 | Y | D | 0.0000 | |
| 264 | A | D | -0.1790 | |
| 265 | F | D | 0.0000 | |
| 266 | A | D | -0.0109 | |
| 267 | W | D | -0.2636 | |
| 268 | H | D | 0.0000 | |
| 269 | D | D | -0.1069 | |
| 270 | P | D | -0.9523 | |
| 271 | L | D | 0.6520 | |
| 272 | A | D | -1.0144 | |
| 273 | E | D | -2.9487 | |
| 274 | E | D | -3.3439 | |
| 275 | Y | D | -2.9221 | |
| 276 | K | D | -4.1148 | |
| 277 | D | D | -4.4924 | |
| 278 | E | D | -3.9704 | |
| 279 | V | D | 0.0000 | |
| 280 | E | D | -4.1391 | |
| 281 | E | D | -4.4455 | |
| 282 | I | D | -3.1255 | |
| 283 | R | D | 0.0000 | |
| 284 | K | D | -4.0720 | |
| 285 | K | D | -4.0398 | |
| 286 | D | D | -3.2795 | |
| 287 | Y | D | 0.0000 | |
| 288 | E | D | -2.3291 | |
| 289 | F | D | 0.0000 | |
| 290 | V | D | 0.0000 | |
| 291 | T | D | -1.0700 | |
| 292 | I | D | -0.3160 | |
| 293 | L | D | 0.0000 | |
| 294 | H | D | -0.9194 | |
| 295 | S | D | -0.8347 | |
| 296 | K | D | -1.2462 | |
| 297 | G | D | -1.2373 | |
| 298 | K | D | -1.2197 | |
| 299 | L | D | 0.0000 | |
| 300 | D | D | -0.6211 | |
| 301 | W | D | 0.0000 | |
| 302 | I | D | 0.0000 | |
| 303 | G | D | 0.0000 | |
| 304 | V | D | 0.0000 | |
| 305 | N | D | 0.0000 | |
| 306 | Y | D | 0.0000 | |
| 307 | Y | D | 0.3561 | |
| 308 | S | D | 0.0000 | |
| 309 | R | D | 0.0000 | |
| 310 | L | D | 0.5275 | |
| 311 | V | D | 0.0000 | |
| 312 | Y | D | 0.0000 | |
| 313 | G | D | -0.0880 | |
| 314 | A | D | -1.5508 | |
| 315 | K | D | -2.9191 | |
| 316 | D | D | -3.1136 | |
| 317 | G | D | -2.6030 | |
| 318 | H | D | -2.2468 | |
| 319 | L | D | 0.0000 | |
| 320 | V | D | -0.1416 | |
| 321 | P | D | 0.4144 | |
| 322 | L | D | 0.6377 | |
| 323 | P | D | -0.2737 | |
| 324 | G | D | -0.8489 | |
| 325 | Y | D | -0.3012 | |
| 326 | G | D | 0.0000 | |
| 327 | F | D | 0.6444 | |
| 328 | M | D | 0.2498 | |
| 329 | S | D | 0.0000 | |
| 330 | E | D | -2.7082 | |
| 331 | R | D | -2.8039 | |
| 332 | G | D | -1.8889 | |
| 333 | G | D | 0.0000 | |
| 334 | F | D | -1.1421 | |
| 335 | A | D | 0.0000 | |
| 336 | K | D | -2.1357 | |
| 337 | S | D | -1.2459 | |
| 338 | G | D | -1.5444 | |
| 339 | R | D | -1.0798 | |
| 340 | P | D | 0.0000 | |
| 341 | A | D | 0.0000 | |
| 342 | S | D | 0.0000 | |
| 343 | D | D | -1.8913 | |
| 344 | F | D | -1.0378 | |
| 345 | G | D | 0.0000 | |
| 346 | W | D | 0.0437 | |
| 347 | E | D | 0.0000 | |
| 348 | M | D | 0.0000 | |
| 349 | Y | D | 0.0000 | |
| 350 | P | D | -1.2802 | |
| 351 | E | D | -2.2163 | |
| 352 | G | D | 0.0000 | |
| 353 | L | D | 0.0000 | |
| 354 | E | D | -1.8152 | |
| 355 | N | D | -1.5329 | |
| 356 | L | D | 0.0000 | |
| 357 | L | D | 0.0000 | |
| 358 | K | D | -1.9107 | |
| 359 | Y | D | -0.9032 | |
| 360 | L | D | 0.0000 | |
| 361 | N | D | -2.2240 | |
| 362 | N | D | -2.0142 | |
| 363 | A | D | -1.0879 | |
| 364 | Y | D | -1.1161 | |
| 365 | E | D | -2.1976 | |
| 366 | L | D | -1.0118 | |
| 367 | P | D | -0.9064 | |
| 368 | M | D | 0.0000 | |
| 369 | I | D | 0.0000 | |
| 370 | I | D | 0.0000 | |
| 371 | T | D | 0.0000 | |
| 372 | E | D | 0.0000 | |
| 373 | N | D | 0.0000 | |
| 374 | G | D | 0.0000 | |
| 375 | M | D | 0.0000 | |
| 376 | A | D | 0.0000 | |
| 377 | D | D | 0.0000 | |
| 378 | A | D | -0.2657 | |
| 379 | A | D | 0.0000 | |
| 380 | D | D | 0.0000 | |
| 381 | R | D | -0.3902 | |
| 382 | Y | D | 0.0000 | |
| 383 | R | D | 0.0000 | |
| 384 | P | D | 0.0000 | |
| 385 | H | D | 0.0000 | |
| 386 | Y | D | 0.0000 | |
| 387 | L | D | 0.0000 | |
| 388 | V | D | 0.0000 | |
| 389 | S | D | 0.0000 | |
| 390 | H | D | 0.0000 | |
| 391 | L | D | 0.0000 | |
| 392 | K | D | -1.1295 | |
| 393 | A | D | 0.0000 | |
| 394 | V | D | 0.0000 | |
| 395 | Y | D | -0.8090 | |
| 396 | N | D | -1.7549 | |
| 397 | A | D | 0.0000 | |
| 398 | M | D | -1.8735 | |
| 399 | K | D | -2.7230 | |
| 400 | E | D | -3.1761 | |
| 401 | G | D | -2.3795 | |
| 402 | A | D | 0.0000 | |
| 403 | D | D | -2.1132 | |
| 404 | V | D | 0.0000 | |
| 405 | R | D | -1.5253 | |
| 406 | G | D | 0.0000 | |
| 407 | Y | D | 0.0000 | |
| 408 | L | D | 0.0000 | |
| 409 | H | D | 0.0000 | |
| 410 | W | D | 0.1343 | |
| 411 | S | D | 0.0000 | |
| 412 | L | D | 0.0000 | |
| 413 | T | D | 0.0000 | |
| 414 | D | D | 0.0000 | |
| 415 | N | D | 0.0000 | |
| 416 | Y | D | 0.0000 | |
| 417 | E | D | -0.6757 | |
| 418 | W | D | 0.0000 | |
| 419 | A | D | -0.7293 | |
| 420 | Q | D | -1.0264 | |
| 421 | G | D | 0.0000 | |
| 422 | F | D | -0.9020 | |
| 423 | R | D | -2.0338 | |
| 424 | M | D | 0.0000 | |
| 425 | R | D | -0.6936 | |
| 426 | F | D | 0.0000 | |
| 427 | G | D | 0.0000 | |
| 428 | L | D | 0.0000 | |
| 429 | V | D | 0.0000 | |
| 430 | Y | D | 0.0000 | |
| 431 | V | D | 0.0000 | |
| 432 | D | D | -1.4878 | |
| 433 | F | D | -1.6280 | |
| 434 | E | D | -2.3061 | |
| 435 | T | D | -1.7029 | |
| 436 | K | D | -1.6332 | |
| 437 | K | D | -2.2283 | |
| 438 | R | D | -1.4652 | |
| 439 | Y | D | -0.8541 | |
| 440 | L | D | 0.0000 | |
| 441 | R | D | 0.0000 | |
| 442 | P | D | 0.0000 | |
| 443 | S | D | 0.0000 | |
| 444 | A | D | 0.0000 | |
| 445 | L | D | 0.0000 | |
| 446 | V | D | 0.0000 | |
| 447 | F | D | 0.0000 | |
| 448 | R | D | -1.4047 | |
| 449 | E | D | -1.5341 | |
| 450 | I | D | 0.0000 | |
| 451 | A | D | 0.0000 | |
| 452 | T | D | -1.1916 | |
| 453 | Q | D | -1.6527 | |
| 454 | K | D | -1.7549 | |
| 455 | E | D | -1.6333 | |
| 456 | I | D | -1.2276 | |
| 457 | P | D | 0.0000 | |
| 458 | E | D | -2.1624 | |
| 459 | E | D | -1.7419 | |
| 460 | L | D | 0.0000 | |
| 461 | A | D | -1.3064 | |
| 462 | H | D | -1.5259 | |
| 463 | L | D | -0.8830 | |
| 464 | A | D | 0.0000 | |
| 465 | D | D | -1.6837 | |
| 466 | L | D | -1.2375 | |
| 467 | K | D | -1.9103 | |
| 468 | F | D | -0.4793 | |
| 469 | V | D | -0.6967 | |
| 470 | T | D | -1.2703 | |
| 471 | R | D | -2.1178 |
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 globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.6518 | 3.0072 | View | CSV | PDB |
| 4.5 | -0.7298 | 2.8223 | View | CSV | PDB |
| 5.0 | -0.8277 | 2.686 | View | CSV | PDB |
| 5.5 | -0.9272 | 2.6296 | View | CSV | PDB |
| 6.0 | -1.0082 | 2.5791 | View | CSV | PDB |
| 6.5 | -1.0551 | 2.5429 | View | CSV | PDB |
| 7.0 | -1.065 | 2.5238 | View | CSV | PDB |
| 7.5 | -1.0483 | 2.516 | View | CSV | PDB |
| 8.0 | -1.0169 | 2.5133 | View | CSV | PDB |
| 8.5 | -0.9757 | 2.5124 | View | CSV | PDB |
| 9.0 | -0.9256 | 2.5121 | 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