| 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:14)
[INFO] FoldX: Starting FoldX energy minimization (00:00:15)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (01:17:25)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/414b45c1b118f6b/tmp/folded.pdb (01:17:25)
[INFO] Main: Simulation completed successfully. (01:59:30)
|
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 | -1.8049 | |
| 2 | K | A | -2.7519 | |
| 3 | F | A | 0.0000 | |
| 4 | P | A | -2.3774 | |
| 5 | K | A | -2.8602 | |
| 6 | N | A | -2.4421 | |
| 7 | F | A | -1.6078 | |
| 8 | M | A | -0.6843 | |
| 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 | -0.1343 | |
| 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 | 0.0000 | |
| 22 | L | A | -0.5549 | |
| 23 | P | A | -0.9623 | |
| 24 | G | A | -0.9981 | |
| 25 | S | A | 0.0000 | |
| 26 | E | A | -2.3570 | |
| 27 | V | A | -1.5437 | |
| 28 | E | A | -1.8544 | |
| 29 | S | A | 0.0000 | |
| 30 | D | A | 0.0000 | |
| 31 | W | A | 0.0000 | |
| 32 | W | A | -0.4200 | |
| 33 | V | A | -0.0089 | |
| 34 | W | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | H | A | -0.8016 | |
| 37 | D | A | -1.0399 | |
| 38 | K | A | -1.8728 | |
| 39 | E | A | -0.8987 | |
| 40 | N | A | 0.0000 | |
| 41 | I | A | -0.4438 | |
| 42 | A | A | -0.4510 | |
| 43 | S | A | -0.7578 | |
| 44 | G | A | -0.9694 | |
| 45 | L | A | -0.4466 | |
| 46 | V | A | 0.0000 | |
| 47 | S | A | -0.5338 | |
| 48 | G | A | -1.0059 | |
| 49 | D | A | -0.7855 | |
| 50 | L | A | -0.1132 | |
| 51 | P | A | 0.0000 | |
| 52 | E | A | -1.4499 | |
| 53 | N | A | -1.0789 | |
| 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 | -0.7642 | |
| 60 | L | A | -0.7814 | |
| 61 | Y | A | -1.4452 | |
| 62 | K | A | -2.6296 | |
| 63 | Q | A | -2.6407 | |
| 64 | D | A | 0.0000 | |
| 65 | H | A | 0.0000 | |
| 66 | D | A | -2.8360 | |
| 67 | I | A | 0.0000 | |
| 68 | A | A | 0.0000 | |
| 69 | E | A | -1.8154 | |
| 70 | K | A | -1.6430 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | -1.4486 | |
| 73 | M | A | 0.0000 | |
| 74 | D | A | -1.0108 | |
| 75 | C | A | 0.0000 | |
| 76 | I | A | 0.0000 | |
| 77 | R | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | G | A | -0.1328 | |
| 80 | I | A | 0.0000 | |
| 81 | E | A | -0.2083 | |
| 82 | W | A | 0.0000 | |
| 83 | A | A | -0.6367 | |
| 84 | R | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | P | A | -1.2039 | |
| 88 | K | A | -1.5272 | |
| 89 | P | A | -0.9086 | |
| 90 | T | A | 0.0000 | |
| 91 | F | A | -0.9547 | |
| 92 | D | A | -1.9432 | |
| 93 | V | A | 0.0000 | |
| 94 | K | A | -2.4711 | |
| 95 | V | A | -1.8716 | |
| 96 | D | A | -2.7646 | |
| 97 | V | A | -1.6122 | |
| 98 | E | A | -2.2229 | |
| 99 | K | A | -2.1964 | |
| 100 | D | A | -2.7847 | |
| 101 | E | A | -3.3867 | |
| 102 | E | A | -3.2192 | |
| 103 | G | A | -2.3303 | |
| 104 | N | A | -1.2800 | |
| 105 | I | A | 0.0000 | |
| 106 | I | A | 0.8632 | |
| 107 | S | A | -0.6866 | |
| 108 | V | A | -1.4710 | |
| 109 | D | A | -3.0215 | |
| 110 | V | A | 0.0000 | |
| 111 | P | A | -2.4531 | |
| 112 | E | A | -2.7439 | |
| 113 | S | A | -2.2407 | |
| 114 | T | A | 0.0000 | |
| 115 | I | A | 0.0000 | |
| 116 | K | A | -3.3579 | |
| 117 | E | A | -3.0454 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | -2.6744 | |
| 120 | K | A | -2.6714 | |
| 121 | I | A | -1.5058 | |
| 122 | A | A | -1.6740 | |
| 123 | N | A | -1.6586 | |
| 124 | M | A | -1.8114 | |
| 125 | E | A | -2.5858 | |
| 126 | A | A | -1.6576 | |
| 127 | L | A | 0.0000 | |
| 128 | E | A | -3.1413 | |
| 129 | H | A | -2.3552 | |
| 130 | Y | A | 0.0000 | |
| 131 | R | A | -2.4902 | |
| 132 | K | A | -2.5118 | |
| 133 | I | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | S | A | -2.1846 | |
| 136 | D | A | -2.2485 | |
| 137 | W | A | 0.0000 | |
| 138 | K | A | -3.0263 | |
| 139 | E | A | -2.9033 | |
| 140 | R | A | -2.3918 | |
| 141 | G | A | -2.0890 | |
| 142 | K | A | -1.8457 | |
| 143 | T | A | -1.1207 | |
| 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 | -0.1511 | |
| 151 | W | A | 0.0285 | |
| 152 | P | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | L | A | -0.3011 | |
| 156 | W | A | -0.4165 | |
| 157 | I | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | D | A | -0.2277 | |
| 160 | P | A | 0.0000 | |
| 161 | I | A | -0.1426 | |
| 162 | A | A | -0.7926 | |
| 163 | V | A | 0.0000 | |
| 164 | R | A | -1.0738 | |
| 165 | K | A | -1.8864 | |
| 166 | L | A | -1.3020 | |
| 167 | G | A | -1.6533 | |
| 168 | P | A | -1.8280 | |
| 169 | D | A | -2.7306 | |
| 170 | R | A | -2.8166 | |
| 171 | A | A | 0.0000 | |
| 172 | P | A | -0.9761 | |
| 173 | A | A | -1.3544 | |
| 174 | G | A | 0.0000 | |
| 175 | W | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | D | A | -2.2048 | |
| 178 | E | A | -2.7445 | |
| 179 | K | A | -2.3936 | |
| 180 | T | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | V | A | -0.7889 | |
| 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 | 0.0182 | |
| 194 | H | A | -0.4206 | |
| 195 | L | A | 0.0000 | |
| 196 | D | A | -1.7713 | |
| 197 | D | A | -2.3993 | |
| 198 | L | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | D | A | -2.2772 | |
| 201 | M | A | 0.0000 | |
| 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 | -0.1988 | |
| 208 | P | A | 0.0000 | |
| 209 | N | A | -0.8890 | |
| 210 | V | A | -0.4891 | |
| 211 | V | A | 0.0000 | |
| 212 | Y | A | 0.0000 | |
| 213 | N | A | -1.6200 | |
| 214 | Q | A | -1.5988 | |
| 215 | G | A | 0.0000 | |
| 216 | Y | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | N | A | -1.4980 | |
| 219 | L | A | -1.1236 | |
| 220 | R | A | -2.2908 | |
| 221 | S | A | -1.3356 | |
| 222 | G | A | 0.0000 | |
| 223 | F | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | G | A | -0.4576 | |
| 227 | Y | A | -0.0777 | |
| 228 | L | A | -0.3505 | |
| 229 | S | A | 0.0000 | |
| 230 | F | A | -0.9554 | |
| 231 | E | A | -2.3672 | |
| 232 | A | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | E | A | -3.0210 | |
| 235 | K | A | -2.7326 | |
| 236 | A | A | 0.0000 | |
| 237 | K | A | -1.7883 | |
| 238 | F | A | -0.9456 | |
| 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 | 0.0512 | |
| 246 | G | A | 0.0000 | |
| 247 | A | A | 0.0000 | |
| 248 | Y | A | -0.7183 | |
| 249 | D | A | -1.4875 | |
| 250 | A | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | K | A | -2.2586 | |
| 253 | E | A | -2.8573 | |
| 254 | Y | A | -1.4929 | |
| 255 | S | A | 0.0000 | |
| 256 | E | A | -2.7513 | |
| 257 | K | A | -1.9074 | |
| 258 | S | A | -1.1528 | |
| 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 | -0.1622 | |
| 265 | F | A | 0.0000 | |
| 266 | A | A | -0.0510 | |
| 267 | W | A | 0.0000 | |
| 268 | H | A | 0.0000 | |
| 269 | D | A | -0.5483 | |
| 270 | P | A | -1.2894 | |
| 271 | L | A | 0.1262 | |
| 272 | A | A | -1.3842 | |
| 273 | E | A | -3.3313 | |
| 274 | E | A | -3.7869 | |
| 275 | Y | A | -3.5176 | |
| 276 | K | A | -4.2414 | |
| 277 | D | A | -4.3382 | |
| 278 | E | A | -4.0861 | |
| 279 | V | A | 0.0000 | |
| 280 | E | A | -4.1693 | |
| 281 | E | A | -4.4559 | |
| 282 | I | A | -3.1260 | |
| 283 | R | A | 0.0000 | |
| 284 | K | A | -3.9649 | |
| 285 | K | A | -3.9363 | |
| 286 | D | A | -3.0465 | |
| 287 | Y | A | 0.0000 | |
| 288 | E | A | -2.4870 | |
| 289 | F | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | T | A | -1.2896 | |
| 292 | I | A | -0.6235 | |
| 293 | L | A | 0.0000 | |
| 294 | H | A | -1.4994 | |
| 295 | S | A | -1.1666 | |
| 296 | K | A | -1.8767 | |
| 297 | G | A | -1.5212 | |
| 298 | K | A | -1.2168 | |
| 299 | L | A | 0.0000 | |
| 300 | D | A | -0.6812 | |
| 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 | 0.3182 | |
| 308 | S | A | 0.0000 | |
| 309 | R | A | 0.0000 | |
| 310 | L | A | 0.7563 | |
| 311 | V | A | 0.0000 | |
| 312 | Y | A | 0.0000 | |
| 313 | G | A | -0.8488 | |
| 314 | A | A | -1.8249 | |
| 315 | K | A | -2.7044 | |
| 316 | D | A | -3.0337 | |
| 317 | G | A | -2.0116 | |
| 318 | H | A | -1.4973 | |
| 319 | L | A | -0.2967 | |
| 320 | V | A | 1.1863 | |
| 321 | P | A | 1.1728 | |
| 322 | L | A | 0.8927 | |
| 323 | P | A | -0.0483 | |
| 324 | G | A | -0.7088 | |
| 325 | Y | A | -0.0534 | |
| 326 | G | A | 0.0000 | |
| 327 | F | A | 0.6120 | |
| 328 | M | A | 0.2999 | |
| 329 | S | A | -1.1653 | |
| 330 | E | A | -2.7801 | |
| 331 | R | A | -2.8868 | |
| 332 | G | A | -1.9313 | |
| 333 | G | A | -1.4852 | |
| 334 | F | A | -1.0497 | |
| 335 | A | A | 0.0000 | |
| 336 | K | A | -2.1447 | |
| 337 | S | A | -1.1456 | |
| 338 | G | A | 0.0000 | |
| 339 | R | A | -0.9826 | |
| 340 | P | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | D | A | -2.2905 | |
| 344 | F | A | -1.1019 | |
| 345 | G | A | 0.0000 | |
| 346 | W | A | -0.0065 | |
| 347 | E | A | 0.0000 | |
| 348 | M | A | 0.0000 | |
| 349 | Y | A | -0.0577 | |
| 350 | P | A | 0.0000 | |
| 351 | E | A | -1.2267 | |
| 352 | G | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | E | A | -1.7859 | |
| 355 | N | A | -1.5176 | |
| 356 | L | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | K | A | -2.3235 | |
| 359 | Y | A | -1.1127 | |
| 360 | L | A | 0.0000 | |
| 361 | N | A | -2.1864 | |
| 362 | N | A | -2.3484 | |
| 363 | A | A | -1.1785 | |
| 364 | Y | A | 0.0000 | |
| 365 | E | A | -2.6021 | |
| 366 | L | A | -1.3910 | |
| 367 | P | A | -1.3618 | |
| 368 | M | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | E | A | -0.1518 | |
| 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 | -0.0261 | |
| 379 | A | A | 0.2622 | |
| 380 | D | A | 0.0000 | |
| 381 | R | A | -0.6140 | |
| 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 | -0.9975 | |
| 393 | A | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | Y | A | -1.4996 | |
| 396 | N | A | -2.1123 | |
| 397 | A | A | 0.0000 | |
| 398 | M | A | 0.0000 | |
| 399 | K | A | -3.1540 | |
| 400 | E | A | -3.4286 | |
| 401 | G | A | -2.7754 | |
| 402 | A | A | 0.0000 | |
| 403 | D | A | -3.5148 | |
| 404 | V | A | 0.0000 | |
| 405 | R | A | -2.3266 | |
| 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 | -0.4967 | |
| 418 | W | A | 0.0000 | |
| 419 | A | A | -0.5191 | |
| 420 | Q | A | -0.9543 | |
| 421 | G | A | 0.0000 | |
| 422 | F | A | -0.7542 | |
| 423 | R | A | -2.0024 | |
| 424 | M | A | 0.0000 | |
| 425 | R | A | 0.0000 | |
| 426 | F | A | 0.0000 | |
| 427 | G | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | Y | A | -0.2694 | |
| 431 | V | A | 0.0000 | |
| 432 | D | A | -1.3683 | |
| 433 | F | A | -1.2433 | |
| 434 | E | A | -2.2046 | |
| 435 | T | A | -1.6063 | |
| 436 | K | A | -1.4771 | |
| 437 | K | A | -2.1731 | |
| 438 | R | A | -1.4111 | |
| 439 | Y | A | -0.9061 | |
| 440 | L | A | 0.0000 | |
| 441 | R | A | 0.0000 | |
| 442 | P | A | 0.0000 | |
| 443 | S | A | 0.0000 | |
| 444 | A | A | 0.0000 | |
| 445 | L | A | 0.0000 | |
| 446 | V | A | 0.0000 | |
| 447 | F | A | 0.0000 | |
| 448 | R | A | -1.4111 | |
| 449 | E | A | -1.7341 | |
| 450 | I | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | T | A | -1.7597 | |
| 453 | Q | A | -2.5246 | |
| 454 | K | A | -2.6668 | |
| 455 | E | A | -2.6500 | |
| 456 | I | A | 0.0000 | |
| 457 | P | A | -2.2358 | |
| 458 | E | A | -2.6367 | |
| 459 | E | A | -2.0506 | |
| 460 | L | A | 0.0000 | |
| 461 | A | A | -1.3834 | |
| 462 | H | A | -1.3364 | |
| 463 | L | A | 0.0000 | |
| 464 | A | A | -0.8976 | |
| 465 | D | A | -1.4574 | |
| 466 | L | A | -1.1957 | |
| 467 | K | A | -1.9132 | |
| 468 | F | A | -0.5956 | |
| 469 | V | A | 0.0000 | |
| 470 | T | A | -1.3261 | |
| 471 | R | A | -2.1462 | |
| 1 | A | B | -1.0711 | |
| 2 | K | B | -2.3691 | |
| 3 | F | B | 0.0000 | |
| 4 | P | B | -2.0280 | |
| 5 | K | B | -2.7834 | |
| 6 | N | B | -2.4426 | |
| 7 | F | B | 0.0000 | |
| 8 | M | B | -1.2242 | |
| 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 | -0.0834 | |
| 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 | -0.7836 | |
| 22 | L | B | -0.4315 | |
| 23 | P | B | -0.7129 | |
| 24 | G | B | -0.8284 | |
| 25 | S | B | 0.0000 | |
| 26 | E | B | -1.3055 | |
| 27 | V | B | 0.0000 | |
| 28 | E | B | -1.7792 | |
| 29 | S | B | 0.0000 | |
| 30 | D | B | 0.0000 | |
| 31 | W | B | 0.0000 | |
| 32 | W | B | -0.3001 | |
| 33 | V | B | -0.1345 | |
| 34 | W | B | 0.0000 | |
| 35 | V | B | -0.1931 | |
| 36 | H | B | -0.8436 | |
| 37 | D | B | -0.9945 | |
| 38 | K | B | -1.6808 | |
| 39 | E | B | -0.8843 | |
| 40 | N | B | 0.0000 | |
| 41 | I | B | -0.0090 | |
| 42 | A | B | -0.1849 | |
| 43 | S | B | 0.0000 | |
| 44 | G | B | -0.3331 | |
| 45 | L | B | 0.0000 | |
| 46 | V | B | -0.1312 | |
| 47 | S | B | -0.3071 | |
| 48 | G | B | -0.5988 | |
| 49 | D | B | -0.8967 | |
| 50 | L | B | -0.5120 | |
| 51 | P | B | 0.0000 | |
| 52 | E | B | -1.4725 | |
| 53 | N | B | -1.1129 | |
| 54 | G | B | 0.0000 | |
| 55 | P | B | 0.0000 | |
| 56 | A | B | 0.0000 | |
| 57 | Y | B | 0.0000 | |
| 58 | W | B | -0.2562 | |
| 59 | H | B | -0.6460 | |
| 60 | L | B | -0.7285 | |
| 61 | Y | B | 0.0000 | |
| 62 | K | B | -2.1734 | |
| 63 | Q | B | -2.1191 | |
| 64 | D | B | 0.0000 | |
| 65 | H | B | 0.0000 | |
| 66 | D | B | -3.0342 | |
| 67 | I | B | 0.0000 | |
| 68 | A | B | 0.0000 | |
| 69 | E | B | -2.9738 | |
| 70 | K | B | -2.5346 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | -1.7985 | |
| 73 | M | B | 0.0000 | |
| 74 | D | B | -2.2904 | |
| 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 | -0.2026 | |
| 82 | W | B | 0.0000 | |
| 83 | A | B | -0.8069 | |
| 84 | R | B | 0.0000 | |
| 85 | I | B | 0.0000 | |
| 86 | F | B | 0.0000 | |
| 87 | P | B | -1.3289 | |
| 88 | K | B | -1.7291 | |
| 89 | P | B | -1.0178 | |
| 90 | T | B | 0.0000 | |
| 91 | F | B | -0.9322 | |
| 92 | D | B | -1.9908 | |
| 93 | V | B | -1.5474 | |
| 94 | K | B | -2.3836 | |
| 95 | V | B | 0.0000 | |
| 96 | D | B | -2.9187 | |
| 97 | V | B | -2.1897 | |
| 98 | E | B | -2.8650 | |
| 99 | K | B | -3.4216 | |
| 100 | D | B | -3.3512 | |
| 101 | E | B | -3.6973 | |
| 102 | E | B | -3.5457 | |
| 103 | G | B | -3.1230 | |
| 104 | N | B | -2.1884 | |
| 105 | I | B | -1.1579 | |
| 106 | I | B | 0.0730 | |
| 107 | S | B | -0.9664 | |
| 108 | V | B | 0.0000 | |
| 109 | D | B | -3.0668 | |
| 110 | V | B | 0.0000 | |
| 111 | P | B | -1.9106 | |
| 112 | E | B | -2.3975 | |
| 113 | S | B | -1.7510 | |
| 114 | T | B | -1.8354 | |
| 115 | I | B | 0.0000 | |
| 116 | K | B | -2.5521 | |
| 117 | E | B | -2.8743 | |
| 118 | L | B | 0.0000 | |
| 119 | E | B | -1.9736 | |
| 120 | K | B | -2.3848 | |
| 121 | I | B | -1.6123 | |
| 122 | A | B | -1.5324 | |
| 123 | N | B | -1.6270 | |
| 124 | M | B | -1.7413 | |
| 125 | E | B | -2.6171 | |
| 126 | A | B | -1.9123 | |
| 127 | L | B | 0.0000 | |
| 128 | E | B | -3.2233 | |
| 129 | H | B | -2.3526 | |
| 130 | Y | B | 0.0000 | |
| 131 | R | B | -2.3767 | |
| 132 | K | B | -2.5542 | |
| 133 | I | B | 0.0000 | |
| 134 | Y | B | 0.0000 | |
| 135 | S | B | -2.0688 | |
| 136 | D | B | -1.9059 | |
| 137 | W | B | 0.0000 | |
| 138 | K | B | -2.3748 | |
| 139 | E | B | -2.5049 | |
| 140 | R | B | -2.1768 | |
| 141 | G | B | -1.8415 | |
| 142 | K | B | -1.9471 | |
| 143 | T | B | -0.9839 | |
| 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 | -0.1562 | |
| 151 | W | B | 0.0000 | |
| 152 | P | B | 0.0000 | |
| 153 | L | B | 0.0000 | |
| 154 | P | B | 0.0000 | |
| 155 | L | B | -0.2289 | |
| 156 | W | B | -0.1800 | |
| 157 | I | B | 0.0000 | |
| 158 | H | B | 0.0000 | |
| 159 | D | B | -0.2388 | |
| 160 | P | B | 0.0000 | |
| 161 | I | B | -0.2245 | |
| 162 | A | B | -0.8044 | |
| 163 | V | B | 0.0000 | |
| 164 | R | B | -1.2413 | |
| 165 | K | B | -1.9177 | |
| 166 | L | B | -1.2377 | |
| 167 | G | B | -1.6257 | |
| 168 | P | B | -1.8420 | |
| 169 | D | B | -2.6314 | |
| 170 | R | B | -2.7219 | |
| 171 | A | B | -1.5851 | |
| 172 | P | B | -0.6214 | |
| 173 | A | B | 0.0000 | |
| 174 | G | B | 0.0000 | |
| 175 | W | B | 0.0000 | |
| 176 | L | B | 0.0000 | |
| 177 | D | B | -2.0863 | |
| 178 | E | B | -2.7397 | |
| 179 | K | B | -2.4708 | |
| 180 | T | B | 0.0000 | |
| 181 | V | B | 0.0000 | |
| 182 | V | B | -0.5846 | |
| 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 | -0.1752 | |
| 194 | H | B | -0.5228 | |
| 195 | L | B | 0.0000 | |
| 196 | D | B | -1.4786 | |
| 197 | D | B | -2.1218 | |
| 198 | L | B | 0.0000 | |
| 199 | V | B | 0.0000 | |
| 200 | D | B | -1.3064 | |
| 201 | M | B | -0.6540 | |
| 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 | -0.1321 | |
| 208 | P | B | 0.0000 | |
| 209 | N | B | 0.0000 | |
| 210 | V | B | 0.1131 | |
| 211 | V | B | 0.0832 | |
| 212 | Y | B | 0.0000 | |
| 213 | N | B | -0.3548 | |
| 214 | Q | B | 0.0000 | |
| 215 | G | B | 0.0000 | |
| 216 | Y | B | 0.0000 | |
| 217 | I | B | -0.0061 | |
| 218 | N | B | -0.8311 | |
| 219 | L | B | -1.1323 | |
| 220 | R | B | -2.1847 | |
| 221 | S | B | -1.0384 | |
| 222 | G | B | 0.0000 | |
| 223 | F | B | 0.0000 | |
| 224 | P | B | 0.0000 | |
| 225 | P | B | 0.0000 | |
| 226 | G | B | -0.0526 | |
| 227 | Y | B | 0.0644 | |
| 228 | L | B | -0.0014 | |
| 229 | S | B | -0.4623 | |
| 230 | F | B | -0.8165 | |
| 231 | E | B | -2.2296 | |
| 232 | A | B | 0.0000 | |
| 233 | A | B | 0.0000 | |
| 234 | E | B | -2.5294 | |
| 235 | K | B | -2.0371 | |
| 236 | A | B | 0.0000 | |
| 237 | K | B | -1.1195 | |
| 238 | F | B | -0.2158 | |
| 239 | N | B | -0.8850 | |
| 240 | L | B | 0.0000 | |
| 241 | I | B | 0.0000 | |
| 242 | Q | B | -0.1557 | |
| 243 | A | B | 0.0000 | |
| 244 | H | B | 0.0000 | |
| 245 | I | B | 0.0120 | |
| 246 | G | B | 0.0000 | |
| 247 | A | B | 0.0000 | |
| 248 | Y | B | 0.0000 | |
| 249 | D | B | -1.4207 | |
| 250 | A | B | 0.0000 | |
| 251 | I | B | 0.0000 | |
| 252 | K | B | -3.0537 | |
| 253 | E | B | -2.7874 | |
| 254 | Y | B | -1.5326 | |
| 255 | S | B | -2.1461 | |
| 256 | E | B | -2.6873 | |
| 257 | K | B | -1.7132 | |
| 258 | S | B | -1.1060 | |
| 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 | -0.0004 | |
| 265 | F | B | 0.0000 | |
| 266 | A | B | 0.0683 | |
| 267 | W | B | 0.0000 | |
| 268 | H | B | 0.0000 | |
| 269 | D | B | -0.3426 | |
| 270 | P | B | -1.2250 | |
| 271 | L | B | 0.1685 | |
| 272 | A | B | -1.1026 | |
| 273 | E | B | -2.9814 | |
| 274 | E | B | -3.2710 | |
| 275 | Y | B | -2.6113 | |
| 276 | K | B | -3.9169 | |
| 277 | D | B | -4.4674 | |
| 278 | E | B | -4.1419 | |
| 279 | V | B | 0.0000 | |
| 280 | E | B | -4.1295 | |
| 281 | E | B | -4.4148 | |
| 282 | I | B | -2.9750 | |
| 283 | R | B | 0.0000 | |
| 284 | K | B | -4.0364 | |
| 285 | K | B | -3.9765 | |
| 286 | D | B | -2.6735 | |
| 287 | Y | B | 0.0000 | |
| 288 | E | B | -3.0014 | |
| 289 | F | B | 0.0000 | |
| 290 | V | B | 0.0000 | |
| 291 | T | B | -1.5364 | |
| 292 | I | B | -0.7871 | |
| 293 | L | B | 0.0000 | |
| 294 | H | B | -1.5950 | |
| 295 | S | B | -1.2733 | |
| 296 | K | B | -2.1022 | |
| 297 | G | B | -1.6188 | |
| 298 | K | B | -1.1847 | |
| 299 | L | B | 0.0000 | |
| 300 | D | B | -0.7760 | |
| 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 | 0.3216 | |
| 308 | S | B | 0.0000 | |
| 309 | R | B | 0.1413 | |
| 310 | L | B | 0.5496 | |
| 311 | V | B | 0.0000 | |
| 312 | Y | B | 0.0000 | |
| 313 | G | B | 0.0000 | |
| 314 | A | B | -1.6896 | |
| 315 | K | B | -2.9144 | |
| 316 | D | B | -3.1501 | |
| 317 | G | B | -2.2564 | |
| 318 | H | B | -2.2867 | |
| 319 | L | B | -1.1253 | |
| 320 | V | B | -0.4112 | |
| 321 | P | B | 0.2489 | |
| 322 | L | B | 0.0000 | |
| 323 | P | B | -0.2944 | |
| 324 | G | B | -0.7040 | |
| 325 | Y | B | -0.1748 | |
| 326 | G | B | 0.0000 | |
| 327 | F | B | 1.0262 | |
| 328 | M | B | 0.4344 | |
| 329 | S | B | -1.1457 | |
| 330 | E | B | -2.8284 | |
| 331 | R | B | -2.9724 | |
| 332 | G | B | -2.1203 | |
| 333 | G | B | -1.5442 | |
| 334 | F | B | -1.3048 | |
| 335 | A | B | 0.0000 | |
| 336 | K | B | -1.9324 | |
| 337 | S | B | -1.1975 | |
| 338 | G | B | -1.3234 | |
| 339 | R | B | -1.0559 | |
| 340 | P | B | 0.0000 | |
| 341 | A | B | 0.0000 | |
| 342 | S | B | 0.0000 | |
| 343 | D | B | -2.2074 | |
| 344 | F | B | -1.2090 | |
| 345 | G | B | 0.0000 | |
| 346 | W | B | -0.0190 | |
| 347 | E | B | 0.0000 | |
| 348 | M | B | 0.0000 | |
| 349 | Y | B | -0.2040 | |
| 350 | P | B | 0.0000 | |
| 351 | E | B | -1.2302 | |
| 352 | G | B | 0.0000 | |
| 353 | L | B | 0.0000 | |
| 354 | E | B | -1.3994 | |
| 355 | N | B | -1.4363 | |
| 356 | L | B | 0.0000 | |
| 357 | L | B | 0.0000 | |
| 358 | K | B | -2.2537 | |
| 359 | Y | B | -1.0900 | |
| 360 | L | B | 0.0000 | |
| 361 | N | B | -2.3608 | |
| 362 | N | B | -2.0949 | |
| 363 | A | B | -1.2677 | |
| 364 | Y | B | 0.0000 | |
| 365 | E | B | -2.5610 | |
| 366 | L | B | 0.0000 | |
| 367 | P | B | -1.1361 | |
| 368 | M | B | 0.0000 | |
| 369 | I | B | 0.0000 | |
| 370 | I | B | 0.0000 | |
| 371 | T | B | 0.0000 | |
| 372 | E | B | 0.0000 | |
| 373 | N | B | 0.0000 | |
| 374 | G | B | 0.0000 | |
| 375 | M | B | 0.0000 | |
| 376 | A | B | 0.0000 | |
| 377 | D | B | 0.0000 | |
| 378 | A | B | -0.5964 | |
| 379 | A | B | 0.0000 | |
| 380 | D | B | 0.0000 | |
| 381 | R | B | -0.4393 | |
| 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 | -0.8267 | |
| 390 | H | B | 0.0000 | |
| 391 | L | B | 0.0000 | |
| 392 | K | B | -0.9995 | |
| 393 | A | B | 0.0000 | |
| 394 | V | B | 0.0000 | |
| 395 | Y | B | -1.1765 | |
| 396 | N | B | -1.8664 | |
| 397 | A | B | 0.0000 | |
| 398 | M | B | -2.0449 | |
| 399 | K | B | -2.9393 | |
| 400 | E | B | -3.2750 | |
| 401 | G | B | -2.4544 | |
| 402 | A | B | 0.0000 | |
| 403 | D | B | -2.1556 | |
| 404 | V | B | 0.0000 | |
| 405 | R | B | -1.6365 | |
| 406 | G | B | 0.0000 | |
| 407 | Y | B | 0.0000 | |
| 408 | L | B | 0.0000 | |
| 409 | H | B | 0.0000 | |
| 410 | W | B | 0.0000 | |
| 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 | -0.7781 | |
| 418 | W | B | -0.1380 | |
| 419 | A | B | -0.8615 | |
| 420 | Q | B | -1.2331 | |
| 421 | G | B | 0.0000 | |
| 422 | F | B | 0.0000 | |
| 423 | R | B | -2.2457 | |
| 424 | M | B | 0.0000 | |
| 425 | R | B | -0.9388 | |
| 426 | F | B | 0.0000 | |
| 427 | G | B | 0.0000 | |
| 428 | L | B | 0.0000 | |
| 429 | V | B | 0.0000 | |
| 430 | Y | B | -0.1155 | |
| 431 | V | B | 0.0000 | |
| 432 | D | B | -0.5829 | |
| 433 | F | B | 0.4290 | |
| 434 | E | B | -1.3833 | |
| 435 | T | B | -0.9923 | |
| 436 | K | B | 0.0000 | |
| 437 | K | B | -1.8581 | |
| 438 | R | B | -1.1074 | |
| 439 | Y | B | -0.8150 | |
| 440 | L | B | -0.2376 | |
| 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 | -0.9902 | |
| 449 | E | B | -0.7070 | |
| 450 | I | B | 0.0000 | |
| 451 | A | B | 0.0000 | |
| 452 | T | B | -1.0393 | |
| 453 | Q | B | -1.5422 | |
| 454 | K | B | -2.0428 | |
| 455 | E | B | -1.8282 | |
| 456 | I | B | -1.1088 | |
| 457 | P | B | -1.4393 | |
| 458 | E | B | -2.0119 | |
| 459 | E | B | -1.5800 | |
| 460 | L | B | 0.0000 | |
| 461 | A | B | -1.1969 | |
| 462 | H | B | -1.3124 | |
| 463 | L | B | 0.0000 | |
| 464 | A | B | 0.0000 | |
| 465 | D | B | -2.3381 | |
| 466 | L | B | 0.0000 | |
| 467 | K | B | -2.3066 | |
| 468 | F | B | -0.9360 | |
| 469 | V | B | 0.0000 | |
| 470 | T | B | -1.5274 | |
| 471 | R | B | -2.0559 | |
| 1 | A | C | -1.2529 | |
| 2 | K | C | -2.6278 | |
| 3 | F | C | 0.0000 | |
| 4 | P | C | -2.1652 | |
| 5 | K | C | -3.0065 | |
| 6 | N | C | -2.4227 | |
| 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 | -0.0331 | |
| 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 | -1.3206 | |
| 22 | L | C | -0.5480 | |
| 23 | P | C | -0.8743 | |
| 24 | G | C | -1.1096 | |
| 25 | S | C | 0.0000 | |
| 26 | E | C | -2.5735 | |
| 27 | V | C | 0.0000 | |
| 28 | E | C | -2.0550 | |
| 29 | S | C | 0.0000 | |
| 30 | D | C | 0.0000 | |
| 31 | W | C | 0.0000 | |
| 32 | W | C | -0.6149 | |
| 33 | V | C | -0.1504 | |
| 34 | W | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | H | C | -1.4248 | |
| 37 | D | C | -1.2583 | |
| 38 | K | C | -2.0350 | |
| 39 | E | C | -1.1811 | |
| 40 | N | C | 0.0000 | |
| 41 | I | C | -0.4460 | |
| 42 | A | C | -0.2426 | |
| 43 | S | C | -0.2979 | |
| 44 | G | C | -0.2832 | |
| 45 | L | C | 0.0000 | |
| 46 | V | C | -0.4185 | |
| 47 | S | C | -0.5498 | |
| 48 | G | C | -1.1364 | |
| 49 | D | C | -1.8327 | |
| 50 | L | C | -1.3239 | |
| 51 | P | C | 0.0000 | |
| 52 | E | C | -2.4696 | |
| 53 | N | C | -1.9466 | |
| 54 | G | C | 0.0000 | |
| 55 | P | C | 0.0000 | |
| 56 | A | C | 0.0000 | |
| 57 | Y | C | 0.0000 | |
| 58 | W | C | -0.4626 | |
| 59 | H | C | -0.7301 | |
| 60 | L | C | -0.9035 | |
| 61 | Y | C | 0.0000 | |
| 62 | K | C | -2.7494 | |
| 63 | Q | C | -2.7387 | |
| 64 | D | C | 0.0000 | |
| 65 | H | C | 0.0000 | |
| 66 | D | C | -2.9008 | |
| 67 | I | C | 0.0000 | |
| 68 | A | C | 0.0000 | |
| 69 | E | C | -2.3167 | |
| 70 | K | C | -1.7409 | |
| 71 | L | C | 0.0000 | |
| 72 | G | C | -1.5942 | |
| 73 | M | C | 0.0000 | |
| 74 | D | C | -1.2325 | |
| 75 | C | C | 0.0000 | |
| 76 | I | C | 0.0000 | |
| 77 | R | C | 0.0000 | |
| 78 | G | C | 0.0000 | |
| 79 | G | C | 0.0000 | |
| 80 | I | C | 0.0000 | |
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| 83 | A | C | 0.0000 | |
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| 85 | I | C | 0.0000 | |
| 86 | F | C | 0.0000 | |
| 87 | P | C | -1.3329 | |
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| 89 | P | C | -0.8955 | |
| 90 | T | C | 0.0000 | |
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| 93 | V | C | 0.0000 | |
| 94 | K | C | -2.6631 | |
| 95 | V | C | -1.8360 | |
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| 99 | K | C | -3.6358 | |
| 100 | D | C | -3.7431 | |
| 101 | E | C | -3.7960 | |
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| 103 | G | C | -2.9347 | |
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| 105 | I | C | 0.0000 | |
| 106 | I | C | 0.1078 | |
| 107 | S | C | -1.1919 | |
| 108 | V | C | -1.5261 | |
| 109 | D | C | -3.1224 | |
| 110 | V | C | 0.0000 | |
| 111 | P | C | -2.2385 | |
| 112 | E | C | -2.6984 | |
| 113 | S | C | -2.3658 | |
| 114 | T | C | 0.0000 | |
| 115 | I | C | 0.0000 | |
| 116 | K | C | -3.3023 | |
| 117 | E | C | -3.3249 | |
| 118 | L | C | 0.0000 | |
| 119 | E | C | -1.9490 | |
| 120 | K | C | -2.3810 | |
| 121 | I | C | -1.4594 | |
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| 124 | M | C | -1.3691 | |
| 125 | E | C | -2.4465 | |
| 126 | A | C | 0.0000 | |
| 127 | L | C | 0.0000 | |
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| 129 | H | C | -2.1233 | |
| 130 | Y | C | 0.0000 | |
| 131 | R | C | -2.3277 | |
| 132 | K | C | -2.4416 | |
| 133 | I | C | 0.0000 | |
| 134 | Y | C | 0.0000 | |
| 135 | S | C | -1.7243 | |
| 136 | D | C | -1.8836 | |
| 137 | W | C | 0.0000 | |
| 138 | K | C | -2.1455 | |
| 139 | E | C | -2.5193 | |
| 140 | R | C | -2.0578 | |
| 141 | G | C | -1.7087 | |
| 142 | K | C | -1.5476 | |
| 143 | T | C | -0.8234 | |
| 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 | 0.0000 | |
| 152 | P | C | 0.0000 | |
| 153 | L | C | 0.0000 | |
| 154 | P | C | 0.0000 | |
| 155 | L | C | -0.2785 | |
| 156 | W | C | -0.2033 | |
| 157 | I | C | 0.0000 | |
| 158 | H | C | 0.0000 | |
| 159 | D | C | -0.2878 | |
| 160 | P | C | 0.0000 | |
| 161 | I | C | -0.1615 | |
| 162 | A | C | 0.0000 | |
| 163 | V | C | 0.0000 | |
| 164 | R | C | -0.7953 | |
| 165 | K | C | -1.3231 | |
| 166 | L | C | -0.6584 | |
| 167 | G | C | -1.2532 | |
| 168 | P | C | -1.7227 | |
| 169 | D | C | -2.6253 | |
| 170 | R | C | -2.6455 | |
| 171 | A | C | -1.6083 | |
| 172 | P | C | -0.8104 | |
| 173 | A | C | 0.0000 | |
| 174 | G | C | 0.0000 | |
| 175 | W | C | 0.0000 | |
| 176 | L | C | -1.7401 | |
| 177 | D | C | -2.3268 | |
| 178 | E | C | -2.9390 | |
| 179 | K | C | -2.3952 | |
| 180 | T | C | 0.0000 | |
| 181 | V | C | 0.0000 | |
| 182 | V | C | -0.6606 | |
| 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 | |
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| 190 | F | C | 0.0000 | |
| 191 | V | C | 0.0000 | |
| 192 | A | C | 0.0000 | |
| 193 | Y | C | -0.5311 | |
| 194 | H | C | -0.3999 | |
| 195 | L | C | 0.0000 | |
| 196 | D | C | -1.5569 | |
| 197 | D | C | -2.0971 | |
| 198 | L | C | -1.5544 | |
| 199 | V | C | 0.0000 | |
| 200 | D | C | -1.2115 | |
| 201 | M | C | -0.5256 | |
| 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 | -0.2529 | |
| 208 | P | C | 0.0000 | |
| 209 | N | C | -0.6820 | |
| 210 | V | C | -0.2251 | |
| 211 | V | C | -0.0874 | |
| 212 | Y | C | 0.0000 | |
| 213 | N | C | -0.9147 | |
| 214 | Q | C | -0.8520 | |
| 215 | G | C | 0.0000 | |
| 216 | Y | C | 0.0000 | |
| 217 | I | C | -0.5489 | |
| 218 | N | C | -1.2282 | |
| 219 | L | C | 0.0000 | |
| 220 | R | C | -2.3943 | |
| 221 | S | C | -1.2726 | |
| 222 | G | C | 0.0000 | |
| 223 | F | C | 0.0000 | |
| 224 | P | C | 0.0000 | |
| 225 | P | C | 0.0000 | |
| 226 | G | C | -0.3940 | |
| 227 | Y | C | 0.1462 | |
| 228 | L | C | -0.3290 | |
| 229 | S | C | 0.0000 | |
| 230 | F | C | -1.0807 | |
| 231 | E | C | -2.4756 | |
| 232 | A | C | 0.0000 | |
| 233 | A | C | 0.0000 | |
| 234 | E | C | -2.9783 | |
| 235 | K | C | -2.6818 | |
| 236 | A | C | 0.0000 | |
| 237 | K | C | -1.5295 | |
| 238 | F | C | -0.6197 | |
| 239 | N | C | 0.0000 | |
| 240 | L | C | 0.0000 | |
| 241 | I | C | 0.1912 | |
| 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 | 0.0000 | |
| 249 | D | C | -2.3302 | |
| 250 | A | C | 0.0000 | |
| 251 | I | C | 0.0000 | |
| 252 | K | C | -3.3221 | |
| 253 | E | C | -3.2395 | |
| 254 | Y | C | -1.8250 | |
| 255 | S | C | -2.2963 | |
| 256 | E | C | -2.8244 | |
| 257 | K | C | -2.0069 | |
| 258 | S | C | -1.1728 | |
| 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 | -0.0328 | |
| 265 | F | C | 0.0000 | |
| 266 | A | C | -0.1384 | |
| 267 | W | C | 0.0000 | |
| 268 | H | C | 0.0000 | |
| 269 | D | C | -0.2049 | |
| 270 | P | C | -1.0609 | |
| 271 | L | C | 0.5943 | |
| 272 | A | C | -1.0092 | |
| 273 | E | C | -2.9980 | |
| 274 | E | C | -3.4670 | |
| 275 | Y | C | -2.8704 | |
| 276 | K | C | -4.0765 | |
| 277 | D | C | -4.5003 | |
| 278 | E | C | -4.2914 | |
| 279 | V | C | 0.0000 | |
| 280 | E | C | -3.6736 | |
| 281 | E | C | -4.3074 | |
| 282 | I | C | -3.0979 | |
| 283 | R | C | 0.0000 | |
| 284 | K | C | -3.7099 | |
| 285 | K | C | -3.9249 | |
| 286 | D | C | -3.3453 | |
| 287 | Y | C | 0.0000 | |
| 288 | E | C | -2.6108 | |
| 289 | F | C | 0.0000 | |
| 290 | V | C | 0.0000 | |
| 291 | T | C | -1.2849 | |
| 292 | I | C | -0.4779 | |
| 293 | L | C | 0.0000 | |
| 294 | H | C | -1.4150 | |
| 295 | S | C | -1.2052 | |
| 296 | K | C | -2.0819 | |
| 297 | G | C | -1.5671 | |
| 298 | K | C | -1.2660 | |
| 299 | L | C | 0.0000 | |
| 300 | D | C | -0.9048 | |
| 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 | 0.3371 | |
| 308 | S | C | 0.0000 | |
| 309 | R | C | 0.2246 | |
| 310 | L | C | 0.5005 | |
| 311 | V | C | 0.0000 | |
| 312 | Y | C | 0.0000 | |
| 313 | G | C | 0.0000 | |
| 314 | A | C | -1.3700 | |
| 315 | K | C | -2.8202 | |
| 316 | D | C | -3.0551 | |
| 317 | G | C | -2.4739 | |
| 318 | H | C | -2.1650 | |
| 319 | L | C | -0.9589 | |
| 320 | V | C | -0.3017 | |
| 321 | P | C | 0.3768 | |
| 322 | L | C | 0.2697 | |
| 323 | P | C | -0.2956 | |
| 324 | G | C | -0.7842 | |
| 325 | Y | C | -0.2908 | |
| 326 | G | C | 0.0000 | |
| 327 | F | C | 0.5457 | |
| 328 | M | C | 0.0964 | |
| 329 | S | C | -1.1546 | |
| 330 | E | C | -2.7884 | |
| 331 | R | C | -2.7677 | |
| 332 | G | C | -1.6531 | |
| 333 | G | C | -1.3184 | |
| 334 | F | C | -1.3934 | |
| 335 | A | C | 0.0000 | |
| 336 | K | C | -2.2074 | |
| 337 | S | C | -1.2522 | |
| 338 | G | C | -1.5000 | |
| 339 | R | C | -0.9063 | |
| 340 | P | C | 0.0000 | |
| 341 | A | C | 0.0000 | |
| 342 | S | C | 0.0000 | |
| 343 | D | C | -1.6459 | |
| 344 | F | C | -1.1096 | |
| 345 | G | C | 0.0000 | |
| 346 | W | C | -0.1259 | |
| 347 | E | C | 0.0000 | |
| 348 | M | C | 0.0000 | |
| 349 | Y | C | -0.0135 | |
| 350 | P | C | 0.0000 | |
| 351 | E | C | -1.1609 | |
| 352 | G | C | 0.0000 | |
| 353 | L | C | 0.0000 | |
| 354 | E | C | -1.3080 | |
| 355 | N | C | -1.3615 | |
| 356 | L | C | 0.0000 | |
| 357 | L | C | 0.0000 | |
| 358 | K | C | -1.7803 | |
| 359 | Y | C | -0.9561 | |
| 360 | L | C | 0.0000 | |
| 361 | N | C | -1.6786 | |
| 362 | N | C | -2.1234 | |
| 363 | A | C | -1.0948 | |
| 364 | Y | C | -1.2120 | |
| 365 | E | C | -2.3242 | |
| 366 | L | C | -1.3071 | |
| 367 | P | C | -1.1377 | |
| 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 | -0.3819 | |
| 379 | A | C | -0.2646 | |
| 380 | D | C | 0.0000 | |
| 381 | R | C | -0.4600 | |
| 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 | -1.1240 | |
| 393 | A | C | 0.0000 | |
| 394 | V | C | 0.0000 | |
| 395 | Y | C | -1.2992 | |
| 396 | N | C | -1.8885 | |
| 397 | A | C | 0.0000 | |
| 398 | M | C | -2.0547 | |
| 399 | K | C | -2.8242 | |
| 400 | E | C | -3.0851 | |
| 401 | G | C | -2.3288 | |
| 402 | A | C | 0.0000 | |
| 403 | D | C | -2.0651 | |
| 404 | V | C | 0.0000 | |
| 405 | R | C | -1.5894 | |
| 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 | -0.7479 | |
| 418 | W | C | 0.0000 | |
| 419 | A | C | -0.6404 | |
| 420 | Q | C | -1.1533 | |
| 421 | G | C | 0.0000 | |
| 422 | F | C | -0.8795 | |
| 423 | R | C | -1.8563 | |
| 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 | 0.0000 | |
| 431 | V | C | 0.0000 | |
| 432 | D | C | -1.6693 | |
| 433 | F | C | 0.0000 | |
| 434 | E | C | -2.3963 | |
| 435 | T | C | -1.6555 | |
| 436 | K | C | -1.6833 | |
| 437 | K | C | -2.3122 | |
| 438 | R | C | -1.3854 | |
| 439 | Y | C | -1.1428 | |
| 440 | L | C | 0.0000 | |
| 441 | R | C | 0.0000 | |
| 442 | P | C | 0.0000 | |
| 443 | S | C | 0.0000 | |
| 444 | A | C | 0.0000 | |
| 445 | L | C | 0.0000 | |
| 446 | V | C | 0.0000 | |
| 447 | F | C | 0.0000 | |
| 448 | R | C | -1.5984 | |
| 449 | E | C | -1.1447 | |
| 450 | I | C | 0.0000 | |
| 451 | A | C | 0.0000 | |
| 452 | T | C | -1.5103 | |
| 453 | Q | C | -1.9280 | |
| 454 | K | C | -3.0244 | |
| 455 | E | C | -2.1885 | |
| 456 | I | C | -1.2866 | |
| 457 | P | C | -1.5207 | |
| 458 | E | C | -2.0912 | |
| 459 | E | C | -1.5851 | |
| 460 | L | C | 0.0000 | |
| 461 | A | C | -1.0877 | |
| 462 | H | C | -0.8974 | |
| 463 | L | C | 0.0000 | |
| 464 | A | C | -0.7101 | |
| 465 | D | C | -0.8634 | |
| 466 | L | C | -0.6021 | |
| 467 | K | C | -1.1489 | |
| 468 | F | C | 0.7468 | |
| 469 | V | C | 0.0120 | |
| 470 | T | C | -0.7877 | |
| 471 | R | C | -1.9405 | |
| 1 | A | D | -1.1271 | |
| 2 | K | D | -2.2176 | |
| 3 | F | D | -1.7184 | |
| 4 | P | D | -1.9165 | |
| 5 | K | D | -2.7648 | |
| 6 | N | D | -2.2275 | |
| 7 | F | D | -1.7298 | |
| 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 | -0.5525 | |
| 23 | P | D | -0.8167 | |
| 24 | G | D | -1.1363 | |
| 25 | S | D | 0.0000 | |
| 26 | E | D | -2.4672 | |
| 27 | V | D | 0.0000 | |
| 28 | E | D | -1.9561 | |
| 29 | S | D | 0.0000 | |
| 30 | D | D | 0.0000 | |
| 31 | W | D | 0.0000 | |
| 32 | W | D | -0.2353 | |
| 33 | V | D | -0.1074 | |
| 34 | W | D | 0.0000 | |
| 35 | V | D | 0.0000 | |
| 36 | H | D | -0.4547 | |
| 37 | D | D | -1.0258 | |
| 38 | K | D | -1.7738 | |
| 39 | E | D | -0.9795 | |
| 40 | N | D | 0.0000 | |
| 41 | I | D | -0.6121 | |
| 42 | A | D | -0.4322 | |
| 43 | S | D | 0.0000 | |
| 44 | G | D | -1.0735 | |
| 45 | L | D | 0.0000 | |
| 46 | V | D | 0.0000 | |
| 47 | S | D | -0.5465 | |
| 48 | G | D | -0.5372 | |
| 49 | D | D | -0.7674 | |
| 50 | L | D | 0.2315 | |
| 51 | P | D | 0.0000 | |
| 52 | E | D | -1.5347 | |
| 53 | N | D | -1.5232 | |
| 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 | -0.9223 | |
| 60 | L | D | -0.7515 | |
| 61 | Y | D | 0.0000 | |
| 62 | K | D | -2.4143 | |
| 63 | Q | D | -2.2844 | |
| 64 | D | D | 0.0000 | |
| 65 | H | D | 0.0000 | |
| 66 | D | D | -3.1269 | |
| 67 | I | D | -2.1190 | |
| 68 | A | D | 0.0000 | |
| 69 | E | D | -3.2193 | |
| 70 | K | D | -2.7584 | |
| 71 | L | D | 0.0000 | |
| 72 | G | D | -1.9527 | |
| 73 | M | D | 0.0000 | |
| 74 | D | D | -2.2224 | |
| 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 | 0.0000 | |
| 84 | R | D | 0.0000 | |
| 85 | I | D | 0.0000 | |
| 86 | F | D | 0.0000 | |
| 87 | P | D | -1.2751 | |
| 88 | K | D | -1.4651 | |
| 89 | P | D | -0.4898 | |
| 90 | T | D | 0.0000 | |
| 91 | F | D | 0.4018 | |
| 92 | D | D | -1.3405 | |
| 93 | V | D | -1.1695 | |
| 94 | K | D | -2.0290 | |
| 95 | V | D | -1.8874 | |
| 96 | D | D | -2.9095 | |
| 97 | V | D | -1.5966 | |
| 98 | E | D | -2.0563 | |
| 99 | K | D | -1.9584 | |
| 100 | D | D | -2.5333 | |
| 101 | E | D | -3.2520 | |
| 102 | E | D | -3.1108 | |
| 103 | G | D | 0.0000 | |
| 104 | N | D | -1.3873 | |
| 105 | I | D | 0.0000 | |
| 106 | I | D | 0.8645 | |
| 107 | S | D | -0.8189 | |
| 108 | V | D | -1.6531 | |
| 109 | D | D | -2.9520 | |
| 110 | V | D | 0.0000 | |
| 111 | P | D | -2.1648 | |
| 112 | E | D | -2.6833 | |
| 113 | S | D | -2.0525 | |
| 114 | T | D | -2.2492 | |
| 115 | I | D | 0.0000 | |
| 116 | K | D | -3.1411 | |
| 117 | E | D | -3.5107 | |
| 118 | L | D | 0.0000 | |
| 119 | E | D | -2.2367 | |
| 120 | K | D | -2.5032 | |
| 121 | I | D | -1.7081 | |
| 122 | A | D | 0.0000 | |
| 123 | N | D | -1.3124 | |
| 124 | M | D | -1.0496 | |
| 125 | E | D | -2.0338 | |
| 126 | A | D | 0.0000 | |
| 127 | L | D | 0.0000 | |
| 128 | E | D | -2.2164 | |
| 129 | H | D | -1.9161 | |
| 130 | Y | D | 0.0000 | |
| 131 | R | D | -2.3529 | |
| 132 | K | D | -2.0021 | |
| 133 | I | D | 0.0000 | |
| 134 | Y | D | 0.0000 | |
| 135 | S | D | -1.9620 | |
| 136 | D | D | -2.0557 | |
| 137 | W | D | 0.0000 | |
| 138 | K | D | -2.1832 | |
| 139 | E | D | -2.6773 | |
| 140 | R | D | -2.3873 | |
| 141 | G | D | -1.9882 | |
| 142 | K | D | -1.9821 | |
| 143 | T | D | -1.2901 | |
| 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 | -0.1540 | |
| 156 | W | D | -0.2529 | |
| 157 | I | D | 0.0000 | |
| 158 | H | D | 0.0000 | |
| 159 | D | D | -0.4921 | |
| 160 | P | D | 0.0000 | |
| 161 | I | D | -0.2256 | |
| 162 | A | D | 0.0000 | |
| 163 | V | D | 0.0000 | |
| 164 | R | D | -1.1171 | |
| 165 | K | D | -1.3623 | |
| 166 | L | D | -0.9290 | |
| 167 | G | D | -1.3461 | |
| 168 | P | D | -1.8289 | |
| 169 | D | D | -2.7151 | |
| 170 | R | D | -2.8422 | |
| 171 | A | D | -1.6457 | |
| 172 | P | D | -1.1794 | |
| 173 | A | D | 0.0000 | |
| 174 | G | D | 0.0000 | |
| 175 | W | D | 0.0000 | |
| 176 | L | D | 0.0000 | |
| 177 | D | D | -2.1114 | |
| 178 | E | D | -2.1191 | |
| 179 | K | D | -1.8921 | |
| 180 | T | D | 0.0000 | |
| 181 | V | D | 0.0000 | |
| 182 | V | D | -0.4518 | |
| 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 | -0.8516 | |
| 194 | H | D | -0.6798 | |
| 195 | L | D | 0.0000 | |
| 196 | D | D | -1.5247 | |
| 197 | D | D | -2.2013 | |
| 198 | L | D | -1.4708 | |
| 199 | V | D | 0.0000 | |
| 200 | D | D | -1.1513 | |
| 201 | M | D | -0.6159 | |
| 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 | -0.1266 | |
| 208 | P | D | 0.0000 | |
| 209 | N | D | -0.4506 | |
| 210 | V | D | -0.0203 | |
| 211 | V | D | 0.0305 | |
| 212 | Y | D | 0.0000 | |
| 213 | N | D | -0.5680 | |
| 214 | Q | D | -0.4877 | |
| 215 | G | D | 0.0000 | |
| 216 | Y | D | 0.0000 | |
| 217 | I | D | -0.3728 | |
| 218 | N | D | -0.4510 | |
| 219 | L | D | 0.0000 | |
| 220 | R | D | -1.7020 | |
| 221 | S | D | -0.8720 | |
| 222 | G | D | 0.0000 | |
| 223 | F | D | 0.0165 | |
| 224 | P | D | 0.0857 | |
| 225 | P | D | 0.0000 | |
| 226 | G | D | -0.2248 | |
| 227 | Y | D | -0.4289 | |
| 228 | L | D | 0.0000 | |
| 229 | S | D | -0.7826 | |
| 230 | F | D | -0.8399 | |
| 231 | E | D | -2.2600 | |
| 232 | A | D | 0.0000 | |
| 233 | A | D | -1.5987 | |
| 234 | E | D | -2.6751 | |
| 235 | K | D | -2.2121 | |
| 236 | A | D | 0.0000 | |
| 237 | K | D | -1.0035 | |
| 238 | F | D | -0.5422 | |
| 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 | -0.8663 | |
| 249 | D | D | -1.9330 | |
| 250 | A | D | 0.0000 | |
| 251 | I | D | 0.0000 | |
| 252 | K | D | -2.3597 | |
| 253 | E | D | -3.0398 | |
| 254 | Y | D | -1.7146 | |
| 255 | S | D | -1.9477 | |
| 256 | E | D | -2.5085 | |
| 257 | K | D | -1.6439 | |
| 258 | S | D | -0.9587 | |
| 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 | -0.1037 | |
| 265 | F | D | 0.0000 | |
| 266 | A | D | 0.0845 | |
| 267 | W | D | 0.0000 | |
| 268 | H | D | 0.0000 | |
| 269 | D | D | -0.2258 | |
| 270 | P | D | -1.0515 | |
| 271 | L | D | 0.4109 | |
| 272 | A | D | -1.0529 | |
| 273 | E | D | -3.0680 | |
| 274 | E | D | -3.3621 | |
| 275 | Y | D | -2.7791 | |
| 276 | K | D | -3.9338 | |
| 277 | D | D | -4.2982 | |
| 278 | E | D | -3.6549 | |
| 279 | V | D | 0.0000 | |
| 280 | E | D | -3.7740 | |
| 281 | E | D | -4.1017 | |
| 282 | I | D | -2.4001 | |
| 283 | R | D | 0.0000 | |
| 284 | K | D | -3.6125 | |
| 285 | K | D | -3.5161 | |
| 286 | D | D | -2.4728 | |
| 287 | Y | D | 0.0000 | |
| 288 | E | D | -1.9580 | |
| 289 | F | D | 0.0000 | |
| 290 | V | D | 0.0000 | |
| 291 | T | D | -0.9455 | |
| 292 | I | D | -0.3021 | |
| 293 | L | D | 0.0000 | |
| 294 | H | D | -1.3404 | |
| 295 | S | D | -1.1112 | |
| 296 | K | D | -1.8837 | |
| 297 | G | D | -1.6376 | |
| 298 | K | D | -1.5883 | |
| 299 | L | D | 0.0000 | |
| 300 | D | D | -0.7665 | |
| 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 | 0.3899 | |
| 308 | S | D | 0.0000 | |
| 309 | R | D | 0.1014 | |
| 310 | L | D | 0.6767 | |
| 311 | V | D | 0.0000 | |
| 312 | Y | D | 0.0000 | |
| 313 | G | D | 0.0000 | |
| 314 | A | D | -1.6088 | |
| 315 | K | D | -2.7940 | |
| 316 | D | D | -3.1053 | |
| 317 | G | D | -2.3742 | |
| 318 | H | D | -2.1451 | |
| 319 | L | D | -1.2234 | |
| 320 | V | D | -0.2918 | |
| 321 | P | D | 0.3071 | |
| 322 | L | D | 0.4657 | |
| 323 | P | D | -0.1272 | |
| 324 | G | D | -0.6060 | |
| 325 | Y | D | -0.1350 | |
| 326 | G | D | 0.0000 | |
| 327 | F | D | 1.2244 | |
| 328 | M | D | 0.4786 | |
| 329 | S | D | -0.9828 | |
| 330 | E | D | -2.6558 | |
| 331 | R | D | -2.5261 | |
| 332 | G | D | -1.4928 | |
| 333 | G | D | -1.2132 | |
| 334 | F | D | -1.2072 | |
| 335 | A | D | 0.0000 | |
| 336 | K | D | -2.2002 | |
| 337 | S | D | -1.2072 | |
| 338 | G | D | -1.4506 | |
| 339 | R | D | -1.1961 | |
| 340 | P | D | 0.0000 | |
| 341 | A | D | 0.0000 | |
| 342 | S | D | 0.0000 | |
| 343 | D | D | -1.2892 | |
| 344 | F | D | -0.6689 | |
| 345 | G | D | 0.0000 | |
| 346 | W | D | 0.3443 | |
| 347 | E | D | 0.0000 | |
| 348 | M | D | 0.0000 | |
| 349 | Y | D | -0.5143 | |
| 350 | P | D | 0.0000 | |
| 351 | E | D | -2.1571 | |
| 352 | G | D | 0.0000 | |
| 353 | L | D | 0.0000 | |
| 354 | E | D | -1.7853 | |
| 355 | N | D | -1.5660 | |
| 356 | L | D | 0.0000 | |
| 357 | L | D | 0.0000 | |
| 358 | K | D | -2.0904 | |
| 359 | Y | D | -1.1637 | |
| 360 | L | D | 0.0000 | |
| 361 | N | D | -2.4533 | |
| 362 | N | D | -2.1153 | |
| 363 | A | D | -1.2329 | |
| 364 | Y | D | 0.0000 | |
| 365 | E | D | -2.5613 | |
| 366 | L | D | -1.3646 | |
| 367 | P | D | -1.3829 | |
| 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 | -0.2694 | |
| 379 | A | D | -0.2301 | |
| 380 | D | D | 0.0000 | |
| 381 | R | D | -0.4550 | |
| 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 | -0.9895 | |
| 393 | A | D | 0.0000 | |
| 394 | V | D | 0.0000 | |
| 395 | Y | D | -1.0851 | |
| 396 | N | D | -1.8571 | |
| 397 | A | D | 0.0000 | |
| 398 | M | D | -2.3403 | |
| 399 | K | D | -2.9365 | |
| 400 | E | D | -3.2431 | |
| 401 | G | D | -2.6165 | |
| 402 | A | D | 0.0000 | |
| 403 | D | D | -2.9787 | |
| 404 | V | D | 0.0000 | |
| 405 | R | D | -2.0913 | |
| 406 | G | D | 0.0000 | |
| 407 | Y | D | 0.0000 | |
| 408 | L | D | 0.0000 | |
| 409 | H | D | 0.0000 | |
| 410 | W | D | 0.0000 | |
| 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 | -0.6654 | |
| 418 | W | D | -0.0818 | |
| 419 | A | D | -0.4731 | |
| 420 | Q | D | -1.0637 | |
| 421 | G | D | 0.0000 | |
| 422 | F | D | -0.9132 | |
| 423 | R | D | -1.9308 | |
| 424 | M | D | 0.0000 | |
| 425 | R | D | -0.5737 | |
| 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 | -1.3370 | |
| 433 | F | D | 0.0000 | |
| 434 | E | D | -2.3192 | |
| 435 | T | D | -1.4891 | |
| 436 | K | D | -1.2702 | |
| 437 | K | D | -1.7251 | |
| 438 | R | D | 0.0000 | |
| 439 | Y | D | -0.7712 | |
| 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 | -1.2267 | |
| 449 | E | D | -0.9758 | |
| 450 | I | D | 0.0000 | |
| 451 | A | D | 0.0000 | |
| 452 | T | D | -1.3525 | |
| 453 | Q | D | -1.9516 | |
| 454 | K | D | -2.7651 | |
| 455 | E | D | -2.0545 | |
| 456 | I | D | -1.2484 | |
| 457 | P | D | -1.6044 | |
| 458 | E | D | -2.0705 | |
| 459 | E | D | -1.5916 | |
| 460 | L | D | 0.0000 | |
| 461 | A | D | -1.1848 | |
| 462 | H | D | -1.1692 | |
| 463 | L | D | 0.0000 | |
| 464 | A | D | -1.3023 | |
| 465 | D | D | -1.8917 | |
| 466 | L | D | -1.3505 | |
| 467 | K | D | -1.8222 | |
| 468 | F | D | -0.9431 | |
| 469 | V | D | 0.0000 | |
| 470 | T | D | -1.4323 | |
| 471 | R | D | -2.1981 |
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 | -0.6957 | 3.1438 | View | CSV | PDB |
| 4.5 | -0.7723 | 3.0994 | View | CSV | PDB |
| 5.0 | -0.8691 | 3.0495 | View | CSV | PDB |
| 5.5 | -0.9674 | 2.9955 | View | CSV | PDB |
| 6.0 | -1.046 | 2.9457 | View | CSV | PDB |
| 6.5 | -1.0886 | 2.9085 | View | CSV | PDB |
| 7.0 | -1.093 | 2.8879 | View | CSV | PDB |
| 7.5 | -1.0703 | 2.8792 | View | CSV | PDB |
| 8.0 | -1.0326 | 2.8761 | View | CSV | PDB |
| 8.5 | -0.9854 | 2.8751 | View | CSV | PDB |
| 9.0 | -0.9294 | 2.9471 | 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