| Chain sequence(s) |
A: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR
C: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR B: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR D: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR input PDB |
| Selected Chain(s) | A,B,C,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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:11)
[INFO] FoldX: Starting FoldX energy minimization (00:00:11)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:52:58)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/955cb04de4f0321/tmp/folded.pdb (00:52:58)
[INFO] Main: Simulation completed successfully. (01:37:17)
|
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 | -1.6367 | |
| 2 | K | A | -2.5298 | |
| 3 | F | A | 0.0000 | |
| 4 | P | A | -1.9717 | |
| 5 | K | A | -2.8500 | |
| 6 | N | A | -2.3999 | |
| 7 | F | A | 0.0000 | |
| 8 | M | A | -0.9937 | |
| 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 | 0.0000 | |
| 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 | -1.0445 | |
| 22 | L | A | -0.4792 | |
| 23 | P | A | -0.8730 | |
| 24 | G | A | -1.0762 | |
| 25 | S | A | 0.0000 | |
| 26 | E | A | -2.3495 | |
| 27 | V | A | -1.5377 | |
| 28 | E | A | -1.8412 | |
| 29 | S | A | 0.0000 | |
| 30 | D | A | 0.0000 | |
| 31 | W | A | 0.0000 | |
| 32 | W | A | -0.4752 | |
| 33 | V | A | -0.2550 | |
| 34 | W | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | H | A | -0.6249 | |
| 37 | D | A | -0.8839 | |
| 38 | K | A | -1.5656 | |
| 39 | E | A | 0.0000 | |
| 40 | N | A | 0.0000 | |
| 41 | I | A | -0.2141 | |
| 42 | A | A | -0.1489 | |
| 43 | S | A | 0.0000 | |
| 44 | G | A | -0.6512 | |
| 45 | L | A | -0.5645 | |
| 46 | V | A | 0.0000 | |
| 47 | S | A | -0.5476 | |
| 48 | G | A | -0.6106 | |
| 49 | D | A | -1.0357 | |
| 50 | L | A | -0.4307 | |
| 51 | P | A | 0.0000 | |
| 52 | E | A | -1.2439 | |
| 53 | N | A | -1.4747 | |
| 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 | -0.8646 | |
| 60 | L | A | -0.8803 | |
| 61 | Y | A | 0.0000 | |
| 62 | K | A | -2.9358 | |
| 63 | Q | A | -2.7011 | |
| 64 | D | A | 0.0000 | |
| 65 | H | A | 0.0000 | |
| 66 | D | A | -3.1902 | |
| 67 | I | A | -1.8480 | |
| 68 | A | A | 0.0000 | |
| 69 | E | A | -2.4725 | |
| 70 | K | A | -2.1622 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | -1.3787 | |
| 73 | M | A | 0.0000 | |
| 74 | D | A | -1.1888 | |
| 75 | C | A | 0.0000 | |
| 76 | I | A | 0.0000 | |
| 77 | R | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | I | A | 0.0000 | |
| 81 | E | A | -0.1658 | |
| 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 | -1.1696 | |
| 88 | K | A | -1.5549 | |
| 89 | P | A | -0.7934 | |
| 90 | T | A | 0.0000 | |
| 91 | F | A | -0.4067 | |
| 92 | D | A | -1.7774 | |
| 93 | V | A | 0.0000 | |
| 94 | K | A | -2.5820 | |
| 95 | V | A | 0.0000 | |
| 96 | D | A | -3.1890 | |
| 97 | V | A | -1.9953 | |
| 98 | E | A | -2.4785 | |
| 99 | K | A | -2.6298 | |
| 100 | D | A | -2.7182 | |
| 101 | E | A | -3.1506 | |
| 102 | E | A | -3.2466 | |
| 103 | G | A | -2.3622 | |
| 104 | N | A | -1.4966 | |
| 105 | I | A | 0.0000 | |
| 106 | I | A | 0.5011 | |
| 107 | S | A | -0.6747 | |
| 108 | V | A | 0.0000 | |
| 109 | D | A | -3.1612 | |
| 110 | V | A | 0.0000 | |
| 111 | P | A | -2.3445 | |
| 112 | E | A | -2.7193 | |
| 113 | S | A | -2.0746 | |
| 114 | T | A | 0.0000 | |
| 115 | I | A | 0.0000 | |
| 116 | K | A | -3.2027 | |
| 117 | E | A | -3.1430 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | -2.0197 | |
| 120 | K | A | -2.4136 | |
| 121 | I | A | -1.4920 | |
| 122 | A | A | -1.4664 | |
| 123 | N | A | -1.5444 | |
| 124 | M | A | -1.6062 | |
| 125 | E | A | -2.5373 | |
| 126 | A | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | E | A | -3.1275 | |
| 129 | H | A | -2.3452 | |
| 130 | Y | A | 0.0000 | |
| 131 | R | A | -2.4491 | |
| 132 | K | A | -2.7224 | |
| 133 | I | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | S | A | -1.8766 | |
| 136 | D | A | -2.1589 | |
| 137 | W | A | 0.0000 | |
| 138 | K | A | -2.2041 | |
| 139 | E | A | -2.4508 | |
| 140 | R | A | -2.1156 | |
| 141 | G | A | -1.6109 | |
| 142 | K | A | -1.5435 | |
| 143 | T | A | -0.8586 | |
| 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 | -0.1068 | |
| 151 | W | A | 0.0000 | |
| 152 | P | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | L | A | -0.2871 | |
| 156 | W | A | -0.2552 | |
| 157 | I | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | D | A | -0.1785 | |
| 160 | P | A | 0.0000 | |
| 161 | I | A | 0.2298 | |
| 162 | A | A | -0.2549 | |
| 163 | V | A | 0.0000 | |
| 164 | R | A | 0.0000 | |
| 165 | K | A | -0.0927 | |
| 166 | L | A | -0.3959 | |
| 167 | G | A | 0.0000 | |
| 168 | P | A | -1.3378 | |
| 169 | D | A | -2.2790 | |
| 170 | R | A | -1.5876 | |
| 171 | A | A | -0.9590 | |
| 172 | P | A | -0.9680 | |
| 173 | A | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | W | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | D | A | -2.5891 | |
| 178 | E | A | -3.0217 | |
| 179 | K | A | -2.5291 | |
| 180 | T | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | V | A | -0.9305 | |
| 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 | -0.2934 | |
| 194 | H | A | -0.5889 | |
| 195 | L | A | 0.0000 | |
| 196 | D | A | -1.5404 | |
| 197 | D | A | -2.1404 | |
| 198 | L | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | D | A | -1.3365 | |
| 201 | M | A | -0.6444 | |
| 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 | -0.6851 | |
| 210 | V | A | -0.2718 | |
| 211 | V | A | -0.1742 | |
| 212 | Y | A | 0.0000 | |
| 213 | N | A | -1.2769 | |
| 214 | Q | A | -1.0163 | |
| 215 | G | A | 0.0000 | |
| 216 | Y | A | 0.0000 | |
| 217 | I | A | -0.6879 | |
| 218 | N | A | -1.3679 | |
| 219 | L | A | -1.3701 | |
| 220 | R | A | -2.4084 | |
| 221 | S | A | -1.1828 | |
| 222 | G | A | 0.0000 | |
| 223 | F | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | G | A | -0.2378 | |
| 227 | Y | A | -0.0484 | |
| 228 | L | A | 0.0000 | |
| 229 | S | A | 0.0000 | |
| 230 | F | A | -1.1417 | |
| 231 | E | A | -2.4211 | |
| 232 | A | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | E | A | -2.9246 | |
| 235 | K | A | -2.6617 | |
| 236 | A | A | 0.0000 | |
| 237 | K | A | -1.4182 | |
| 238 | F | A | -0.6652 | |
| 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 | -0.4878 | |
| 249 | D | A | -0.7739 | |
| 250 | A | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | K | A | -1.5114 | |
| 253 | E | A | -1.5159 | |
| 254 | Y | A | -0.6931 | |
| 255 | S | A | -1.6035 | |
| 256 | E | A | -2.3655 | |
| 257 | K | A | -1.6420 | |
| 258 | S | A | -0.9641 | |
| 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 | -0.0724 | |
| 265 | F | A | 0.0000 | |
| 266 | A | A | -0.0772 | |
| 267 | W | A | 0.0000 | |
| 268 | H | A | 0.0000 | |
| 269 | D | A | -0.4886 | |
| 270 | P | A | -1.3671 | |
| 271 | L | A | 0.4207 | |
| 272 | A | A | -1.1493 | |
| 273 | E | A | -3.2164 | |
| 274 | E | A | -3.5016 | |
| 275 | Y | A | -3.1086 | |
| 276 | K | A | -4.5443 | |
| 277 | D | A | -4.7818 | |
| 278 | E | A | -4.1518 | |
| 279 | V | A | 0.0000 | |
| 280 | E | A | -4.3603 | |
| 281 | E | A | -4.3179 | |
| 282 | I | A | -3.0650 | |
| 283 | R | A | 0.0000 | |
| 284 | K | A | -3.9592 | |
| 285 | K | A | -3.9304 | |
| 286 | D | A | -3.1172 | |
| 287 | Y | A | 0.0000 | |
| 288 | E | A | -2.6935 | |
| 289 | F | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | T | A | -1.2626 | |
| 292 | I | A | -0.4923 | |
| 293 | L | A | 0.0000 | |
| 294 | H | A | -1.2388 | |
| 295 | S | A | -0.8456 | |
| 296 | K | A | -1.0009 | |
| 297 | G | A | -1.2076 | |
| 298 | K | A | -1.0251 | |
| 299 | L | A | 0.0000 | |
| 300 | D | A | -0.6642 | |
| 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 | 0.2450 | |
| 308 | S | A | 0.0000 | |
| 309 | R | A | 0.0942 | |
| 310 | L | A | 0.4627 | |
| 311 | V | A | 0.0000 | |
| 312 | Y | A | 0.0000 | |
| 313 | G | A | 0.0000 | |
| 314 | A | A | -1.3314 | |
| 315 | K | A | -2.8317 | |
| 316 | D | A | -3.0485 | |
| 317 | G | A | -2.3177 | |
| 318 | H | A | -2.0847 | |
| 319 | L | A | -0.9790 | |
| 320 | V | A | -0.3406 | |
| 321 | P | A | 0.2504 | |
| 322 | L | A | 0.0000 | |
| 323 | P | A | -0.4799 | |
| 324 | G | A | -0.8795 | |
| 325 | Y | A | -0.2606 | |
| 326 | G | A | 0.0000 | |
| 327 | F | A | 0.3444 | |
| 328 | M | A | -0.0467 | |
| 329 | S | A | -1.3022 | |
| 330 | E | A | -2.7560 | |
| 331 | R | A | -2.6598 | |
| 332 | G | A | -1.5633 | |
| 333 | G | A | -1.3992 | |
| 334 | F | A | -1.3132 | |
| 335 | A | A | 0.0000 | |
| 336 | K | A | -2.1872 | |
| 337 | S | A | -1.2229 | |
| 338 | G | A | 0.0000 | |
| 339 | R | A | -1.0692 | |
| 340 | P | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | D | A | -1.4614 | |
| 344 | F | A | -0.9327 | |
| 345 | G | A | 0.0000 | |
| 346 | W | A | -0.1319 | |
| 347 | E | A | 0.0000 | |
| 348 | M | A | 0.0000 | |
| 349 | Y | A | -0.1468 | |
| 350 | P | A | 0.0000 | |
| 351 | E | A | -1.1878 | |
| 352 | G | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | E | A | -1.7373 | |
| 355 | N | A | -1.5480 | |
| 356 | L | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | K | A | -2.3972 | |
| 359 | Y | A | -1.1298 | |
| 360 | L | A | 0.0000 | |
| 361 | N | A | -2.1791 | |
| 362 | N | A | -2.0776 | |
| 363 | A | A | -1.3566 | |
| 364 | Y | A | 0.0000 | |
| 365 | E | A | -2.4403 | |
| 366 | L | A | -1.1780 | |
| 367 | P | A | -0.9428 | |
| 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 | -0.3473 | |
| 379 | A | A | 0.0000 | |
| 380 | D | A | 0.0000 | |
| 381 | R | A | -0.2253 | |
| 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 | -1.2545 | |
| 393 | A | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | Y | A | -1.3172 | |
| 396 | N | A | -1.8992 | |
| 397 | A | A | 0.0000 | |
| 398 | M | A | -2.1600 | |
| 399 | K | A | -2.7861 | |
| 400 | E | A | -3.2503 | |
| 401 | G | A | -2.6041 | |
| 402 | A | A | 0.0000 | |
| 403 | D | A | -1.8964 | |
| 404 | V | A | 0.0000 | |
| 405 | R | A | -1.5485 | |
| 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 | 0.0000 | |
| 418 | W | A | 0.0000 | |
| 419 | A | A | 0.0000 | |
| 420 | Q | A | -0.8678 | |
| 421 | G | A | 0.0000 | |
| 422 | F | A | -0.9795 | |
| 423 | R | A | -1.9432 | |
| 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 | 0.0000 | |
| 431 | V | A | 0.0000 | |
| 432 | D | A | -1.4356 | |
| 433 | F | A | -1.4426 | |
| 434 | E | A | -2.3159 | |
| 435 | T | A | -1.6141 | |
| 436 | K | A | -1.6054 | |
| 437 | K | A | -2.3973 | |
| 438 | R | A | -1.5605 | |
| 439 | Y | A | -1.1615 | |
| 440 | L | A | -0.4359 | |
| 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 | -1.4766 | |
| 449 | E | A | -1.5585 | |
| 450 | I | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | T | A | -1.5329 | |
| 453 | Q | A | -2.2936 | |
| 454 | K | A | -2.3246 | |
| 455 | E | A | -2.5169 | |
| 456 | I | A | 0.0000 | |
| 457 | P | A | -2.1869 | |
| 458 | E | A | -2.7767 | |
| 459 | E | A | -2.4806 | |
| 460 | L | A | 0.0000 | |
| 461 | A | A | -1.5226 | |
| 462 | H | A | -1.3066 | |
| 463 | L | A | 0.0000 | |
| 464 | A | A | -1.1231 | |
| 465 | D | A | -1.9833 | |
| 466 | L | A | 0.0000 | |
| 467 | K | A | -2.2130 | |
| 468 | F | A | -0.9232 | |
| 469 | V | A | 0.0000 | |
| 470 | T | A | -1.5054 | |
| 471 | R | A | -2.2605 | |
| 1 | A | B | -1.5065 | |
| 2 | K | B | -2.2710 | |
| 3 | F | B | 0.0000 | |
| 4 | P | B | -1.9403 | |
| 5 | K | B | -2.7597 | |
| 6 | N | B | -2.3760 | |
| 7 | F | B | 0.0000 | |
| 8 | M | B | -0.9546 | |
| 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 | -1.0581 | |
| 22 | L | B | -0.4615 | |
| 23 | P | B | -0.8665 | |
| 24 | G | B | -1.0089 | |
| 25 | S | B | 0.0000 | |
| 26 | E | B | -2.2283 | |
| 27 | V | B | -1.5411 | |
| 28 | E | B | -1.8615 | |
| 29 | S | B | 0.0000 | |
| 30 | D | B | 0.0000 | |
| 31 | W | B | 0.0000 | |
| 32 | W | B | -0.4375 | |
| 33 | V | B | -0.2538 | |
| 34 | W | B | 0.0000 | |
| 35 | V | B | 0.0000 | |
| 36 | H | B | -0.6587 | |
| 37 | D | B | -1.0788 | |
| 38 | K | B | -1.8260 | |
| 39 | E | B | -1.0040 | |
| 40 | N | B | 0.0000 | |
| 41 | I | B | -0.5789 | |
| 42 | A | B | -0.4286 | |
| 43 | S | B | 0.0000 | |
| 44 | G | B | -1.0003 | |
| 45 | L | B | 0.0000 | |
| 46 | V | B | 0.0000 | |
| 47 | S | B | -0.5679 | |
| 48 | G | B | -0.5090 | |
| 49 | D | B | -0.6076 | |
| 50 | L | B | -0.1341 | |
| 51 | P | B | 0.0000 | |
| 52 | E | B | -1.1358 | |
| 53 | N | B | -1.5771 | |
| 54 | G | B | 0.0000 | |
| 55 | P | B | 0.0000 | |
| 56 | A | B | 0.0000 | |
| 57 | Y | B | 0.0000 | |
| 58 | W | B | 0.0000 | |
| 59 | H | B | -0.7663 | |
| 60 | L | B | -0.7115 | |
| 61 | Y | B | 0.0000 | |
| 62 | K | B | -2.6265 | |
| 63 | Q | B | -2.3059 | |
| 64 | D | B | 0.0000 | |
| 65 | H | B | 0.0000 | |
| 66 | D | B | -2.4227 | |
| 67 | I | B | -1.5343 | |
| 68 | A | B | 0.0000 | |
| 69 | E | B | -2.3478 | |
| 70 | K | B | -2.5271 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | -1.6885 | |
| 73 | M | B | 0.0000 | |
| 74 | D | B | -1.1707 | |
| 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 | -0.2048 | |
| 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 | -1.2436 | |
| 88 | K | B | -1.4806 | |
| 89 | P | B | -0.8784 | |
| 90 | T | B | 0.0000 | |
| 91 | F | B | -0.9088 | |
| 92 | D | B | -1.9700 | |
| 93 | V | B | 0.0000 | |
| 94 | K | B | -2.4390 | |
| 95 | V | B | -2.1053 | |
| 96 | D | B | -3.0068 | |
| 97 | V | B | -1.7906 | |
| 98 | E | B | -2.2608 | |
| 99 | K | B | -2.2874 | |
| 100 | D | B | -2.6032 | |
| 101 | E | B | -3.1068 | |
| 102 | E | B | -3.1623 | |
| 103 | G | B | -2.1319 | |
| 104 | N | B | 0.0000 | |
| 105 | I | B | 0.0000 | |
| 106 | I | B | 0.6574 | |
| 107 | S | B | -0.6561 | |
| 108 | V | B | 0.0000 | |
| 109 | D | B | -2.9796 | |
| 110 | V | B | 0.0000 | |
| 111 | P | B | -2.2234 | |
| 112 | E | B | -2.6407 | |
| 113 | S | B | -2.0142 | |
| 114 | T | B | -2.4309 | |
| 115 | I | B | 0.0000 | |
| 116 | K | B | -2.9282 | |
| 117 | E | B | -3.2249 | |
| 118 | L | B | 0.0000 | |
| 119 | E | B | -1.9594 | |
| 120 | K | B | -2.4544 | |
| 121 | I | B | -1.4050 | |
| 122 | A | B | -1.4953 | |
| 123 | N | B | -1.6887 | |
| 124 | M | B | -1.6730 | |
| 125 | E | B | -2.6205 | |
| 126 | A | B | 0.0000 | |
| 127 | L | B | 0.0000 | |
| 128 | E | B | -3.1735 | |
| 129 | H | B | -2.3578 | |
| 130 | Y | B | 0.0000 | |
| 131 | R | B | -2.3803 | |
| 132 | K | B | -2.6804 | |
| 133 | I | B | 0.0000 | |
| 134 | Y | B | 0.0000 | |
| 135 | S | B | -1.7764 | |
| 136 | D | B | 0.0000 | |
| 137 | W | B | 0.0000 | |
| 138 | K | B | -2.1336 | |
| 139 | E | B | -2.4046 | |
| 140 | R | B | -1.9473 | |
| 141 | G | B | -1.6110 | |
| 142 | K | B | -1.4857 | |
| 143 | T | B | -0.8465 | |
| 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 | -0.1090 | |
| 151 | W | B | 0.0000 | |
| 152 | P | B | 0.0000 | |
| 153 | L | B | 0.0000 | |
| 154 | P | B | 0.0000 | |
| 155 | L | B | -0.2656 | |
| 156 | W | B | -0.2868 | |
| 157 | I | B | 0.0000 | |
| 158 | H | B | 0.0000 | |
| 159 | D | B | -0.2363 | |
| 160 | P | B | 0.0000 | |
| 161 | I | B | -0.1264 | |
| 162 | A | B | -0.4091 | |
| 163 | V | B | 0.0000 | |
| 164 | R | B | 0.0000 | |
| 165 | K | B | -0.9616 | |
| 166 | L | B | -0.7460 | |
| 167 | G | B | 0.0000 | |
| 168 | P | B | -1.2259 | |
| 169 | D | B | -2.0133 | |
| 170 | R | B | -1.4905 | |
| 171 | A | B | -1.0104 | |
| 172 | P | B | -0.6302 | |
| 173 | A | B | 0.0000 | |
| 174 | G | B | 0.0000 | |
| 175 | W | B | 0.0000 | |
| 176 | L | B | 0.0000 | |
| 177 | D | B | -1.9983 | |
| 178 | E | B | -2.5667 | |
| 179 | K | B | -2.0469 | |
| 180 | T | B | 0.0000 | |
| 181 | V | B | 0.0000 | |
| 182 | V | B | -0.7349 | |
| 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 | -0.3291 | |
| 194 | H | B | -0.5627 | |
| 195 | L | B | 0.0000 | |
| 196 | D | B | -1.5423 | |
| 197 | D | B | -2.1467 | |
| 198 | L | B | 0.0000 | |
| 199 | V | B | 0.0000 | |
| 200 | D | B | -1.3379 | |
| 201 | M | B | -0.6564 | |
| 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 | 0.0000 | |
| 208 | P | B | 0.0000 | |
| 209 | N | B | 0.0000 | |
| 210 | V | B | -0.0103 | |
| 211 | V | B | -0.0132 | |
| 212 | Y | B | 0.0000 | |
| 213 | N | B | -0.8129 | |
| 214 | Q | B | -0.6853 | |
| 215 | G | B | 0.0000 | |
| 216 | Y | B | 0.0000 | |
| 217 | I | B | -0.4285 | |
| 218 | N | B | -0.8531 | |
| 219 | L | B | -1.1734 | |
| 220 | R | B | -2.3035 | |
| 221 | S | B | -1.1041 | |
| 222 | G | B | 0.0000 | |
| 223 | F | B | 0.0000 | |
| 224 | P | B | 0.0000 | |
| 225 | P | B | 0.0000 | |
| 226 | G | B | -0.3666 | |
| 227 | Y | B | 0.0000 | |
| 228 | L | B | 0.0000 | |
| 229 | S | B | 0.0000 | |
| 230 | F | B | -1.3723 | |
| 231 | E | B | -2.6723 | |
| 232 | A | B | 0.0000 | |
| 233 | A | B | 0.0000 | |
| 234 | E | B | -3.0300 | |
| 235 | K | B | -2.7799 | |
| 236 | A | B | 0.0000 | |
| 237 | K | B | -1.3419 | |
| 238 | F | B | -0.3939 | |
| 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 | 0.0000 | |
| 246 | G | B | 0.0000 | |
| 247 | A | B | 0.0000 | |
| 248 | Y | B | -0.4246 | |
| 249 | D | B | -0.6329 | |
| 250 | A | B | 0.0000 | |
| 251 | I | B | 0.0000 | |
| 252 | K | B | -1.5307 | |
| 253 | E | B | -1.6648 | |
| 254 | Y | B | -0.9462 | |
| 255 | S | B | -1.5806 | |
| 256 | E | B | -2.3741 | |
| 257 | K | B | -1.6120 | |
| 258 | S | B | -0.9848 | |
| 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 | 0.0228 | |
| 265 | F | B | 0.0000 | |
| 266 | A | B | 0.0096 | |
| 267 | W | B | 0.0000 | |
| 268 | H | B | 0.0000 | |
| 269 | D | B | -0.7013 | |
| 270 | P | B | -1.4222 | |
| 271 | L | B | 0.4012 | |
| 272 | A | B | -1.0604 | |
| 273 | E | B | -3.0967 | |
| 274 | E | B | -3.4178 | |
| 275 | Y | B | -3.0061 | |
| 276 | K | B | -4.3302 | |
| 277 | D | B | -4.8393 | |
| 278 | E | B | -4.4211 | |
| 279 | V | B | 0.0000 | |
| 280 | E | B | -4.6510 | |
| 281 | E | B | -4.4401 | |
| 282 | I | B | -3.0427 | |
| 283 | R | B | 0.0000 | |
| 284 | K | B | -4.0423 | |
| 285 | K | B | -3.7214 | |
| 286 | D | B | -2.4179 | |
| 287 | Y | B | 0.0000 | |
| 288 | E | B | -2.3892 | |
| 289 | F | B | 0.0000 | |
| 290 | V | B | 0.0000 | |
| 291 | T | B | -1.0886 | |
| 292 | I | B | -0.3248 | |
| 293 | L | B | 0.0000 | |
| 294 | H | B | -1.0773 | |
| 295 | S | B | -0.7212 | |
| 296 | K | B | -1.0679 | |
| 297 | G | B | -1.1135 | |
| 298 | K | B | -0.8839 | |
| 299 | L | B | 0.0000 | |
| 300 | D | B | -0.7289 | |
| 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 | 0.2461 | |
| 308 | S | B | 0.0000 | |
| 309 | R | B | 0.1114 | |
| 310 | L | B | 0.4870 | |
| 311 | V | B | 0.0000 | |
| 312 | Y | B | 0.0000 | |
| 313 | G | B | 0.0000 | |
| 314 | A | B | -1.1266 | |
| 315 | K | B | -2.5091 | |
| 316 | D | B | -2.8793 | |
| 317 | G | B | -2.0763 | |
| 318 | H | B | -1.9169 | |
| 319 | L | B | -0.9145 | |
| 320 | V | B | -0.2544 | |
| 321 | P | B | 0.2838 | |
| 322 | L | B | 0.0000 | |
| 323 | P | B | -0.4923 | |
| 324 | G | B | -1.0957 | |
| 325 | Y | B | -0.3241 | |
| 326 | G | B | 0.0000 | |
| 327 | F | B | 0.4367 | |
| 328 | M | B | -0.0432 | |
| 329 | S | B | -1.2969 | |
| 330 | E | B | -2.7515 | |
| 331 | R | B | -2.6259 | |
| 332 | G | B | -1.5035 | |
| 333 | G | B | -1.3840 | |
| 334 | F | B | -1.3380 | |
| 335 | A | B | 0.0000 | |
| 336 | K | B | -2.2220 | |
| 337 | S | B | -1.2602 | |
| 338 | G | B | 0.0000 | |
| 339 | R | B | -1.0986 | |
| 340 | P | B | 0.0000 | |
| 341 | A | B | 0.0000 | |
| 342 | S | B | 0.0000 | |
| 343 | D | B | -1.4144 | |
| 344 | F | B | -0.8085 | |
| 345 | G | B | 0.0000 | |
| 346 | W | B | -0.1012 | |
| 347 | E | B | 0.0000 | |
| 348 | M | B | 0.0000 | |
| 349 | Y | B | -0.0836 | |
| 350 | P | B | 0.0000 | |
| 351 | E | B | -1.1164 | |
| 352 | G | B | 0.0000 | |
| 353 | L | B | 0.0000 | |
| 354 | E | B | -1.4157 | |
| 355 | N | B | -1.2744 | |
| 356 | L | B | 0.0000 | |
| 357 | L | B | 0.0000 | |
| 358 | K | B | -1.9423 | |
| 359 | Y | B | -0.8850 | |
| 360 | L | B | 0.0000 | |
| 361 | N | B | -2.0316 | |
| 362 | N | B | -1.9876 | |
| 363 | A | B | -1.2915 | |
| 364 | Y | B | 0.0000 | |
| 365 | E | B | -2.4309 | |
| 366 | L | B | -1.2766 | |
| 367 | P | B | -1.0014 | |
| 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 | -0.4478 | |
| 379 | A | B | 0.0000 | |
| 380 | D | B | 0.0000 | |
| 381 | R | B | -0.2201 | |
| 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 | -1.0667 | |
| 393 | A | B | 0.0000 | |
| 394 | V | B | 0.0000 | |
| 395 | Y | B | -1.2174 | |
| 396 | N | B | -1.7154 | |
| 397 | A | B | 0.0000 | |
| 398 | M | B | -2.0024 | |
| 399 | K | B | -2.7674 | |
| 400 | E | B | -3.1276 | |
| 401 | G | B | -2.5549 | |
| 402 | A | B | 0.0000 | |
| 403 | D | B | -1.8733 | |
| 404 | V | B | 0.0000 | |
| 405 | R | B | -1.4366 | |
| 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 | 0.0000 | |
| 418 | W | B | 0.0000 | |
| 419 | A | B | 0.0000 | |
| 420 | Q | B | -1.0058 | |
| 421 | G | B | 0.0000 | |
| 422 | F | B | -1.0156 | |
| 423 | R | B | -1.9633 | |
| 424 | M | B | 0.0000 | |
| 425 | R | B | -0.6207 | |
| 426 | F | B | 0.0000 | |
| 427 | G | B | 0.0000 | |
| 428 | L | B | 0.0000 | |
| 429 | V | B | 0.0000 | |
| 430 | Y | B | -0.2026 | |
| 431 | V | B | 0.0000 | |
| 432 | D | B | -1.3294 | |
| 433 | F | B | 0.0000 | |
| 434 | E | B | -2.3837 | |
| 435 | T | B | -1.4399 | |
| 436 | K | B | -1.3003 | |
| 437 | K | B | -1.5882 | |
| 438 | R | B | 0.0000 | |
| 439 | Y | B | -0.7872 | |
| 440 | L | B | -0.2553 | |
| 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 | -1.7917 | |
| 449 | E | B | -1.3651 | |
| 450 | I | B | 0.0000 | |
| 451 | A | B | 0.0000 | |
| 452 | T | B | -1.3977 | |
| 453 | Q | B | -1.7289 | |
| 454 | K | B | -1.9040 | |
| 455 | E | B | -1.9591 | |
| 456 | I | B | 0.0000 | |
| 457 | P | B | 0.0000 | |
| 458 | E | B | -2.4511 | |
| 459 | E | B | -2.0155 | |
| 460 | L | B | 0.0000 | |
| 461 | A | B | -1.1745 | |
| 462 | H | B | -0.9952 | |
| 463 | L | B | 0.0000 | |
| 464 | A | B | -0.7212 | |
| 465 | D | B | -1.1897 | |
| 466 | L | B | 0.0000 | |
| 467 | K | B | -1.9846 | |
| 468 | F | B | -0.8000 | |
| 469 | V | B | 0.0000 | |
| 470 | T | B | -1.4264 | |
| 471 | R | B | -2.2736 | |
| 1 | A | C | -1.3602 | |
| 2 | K | C | -2.3166 | |
| 3 | F | C | 0.0000 | |
| 4 | P | C | -2.0313 | |
| 5 | K | C | -2.7888 | |
| 6 | N | C | -2.4300 | |
| 7 | F | C | 0.0000 | |
| 8 | M | C | -1.0454 | |
| 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 | -1.0546 | |
| 22 | L | C | -0.4881 | |
| 23 | P | C | -0.8686 | |
| 24 | G | C | -1.0606 | |
| 25 | S | C | 0.0000 | |
| 26 | E | C | -2.1998 | |
| 27 | V | C | -1.4808 | |
| 28 | E | C | -1.7479 | |
| 29 | S | C | 0.0000 | |
| 30 | D | C | 0.0000 | |
| 31 | W | C | 0.0000 | |
| 32 | W | C | -0.3262 | |
| 33 | V | C | -0.2064 | |
| 34 | W | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | H | C | -0.5429 | |
| 37 | D | C | -0.9392 | |
| 38 | K | C | -1.6835 | |
| 39 | E | C | -1.0048 | |
| 40 | N | C | 0.0000 | |
| 41 | I | C | -0.2439 | |
| 42 | A | C | -0.2833 | |
| 43 | S | C | 0.0000 | |
| 44 | G | C | -0.8231 | |
| 45 | L | C | 0.0000 | |
| 46 | V | C | 0.0000 | |
| 47 | S | C | -0.5655 | |
| 48 | G | C | -0.5599 | |
| 49 | D | C | -0.8680 | |
| 50 | L | C | -0.3049 | |
| 51 | P | C | 0.0000 | |
| 52 | E | C | -1.1737 | |
| 53 | N | C | -1.5574 | |
| 54 | G | C | 0.0000 | |
| 55 | P | C | 0.0000 | |
| 56 | A | C | 0.0000 | |
| 57 | Y | C | 0.0000 | |
| 58 | W | C | 0.0000 | |
| 59 | H | C | -0.8920 | |
| 60 | L | C | -0.7693 | |
| 61 | Y | C | 0.0000 | |
| 62 | K | C | -2.6016 | |
| 63 | Q | C | -2.2324 | |
| 64 | D | C | 0.0000 | |
| 65 | H | C | 0.0000 | |
| 66 | D | C | -2.1508 | |
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| 69 | E | C | -2.4605 | |
| 70 | K | C | -2.5855 | |
| 71 | L | C | 0.0000 | |
| 72 | G | C | -1.7188 | |
| 73 | M | C | 0.0000 | |
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| 76 | I | C | 0.0000 | |
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| 100 | D | C | -2.9887 | |
| 101 | E | C | -3.6836 | |
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| 105 | I | C | 0.0000 | |
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| 107 | S | C | -0.8187 | |
| 108 | V | C | 0.0000 | |
| 109 | D | C | -3.0151 | |
| 110 | V | C | 0.0000 | |
| 111 | P | C | -2.0576 | |
| 112 | E | C | -2.7144 | |
| 113 | S | C | -2.0996 | |
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| 115 | I | C | 0.0000 | |
| 116 | K | C | -3.2748 | |
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| 124 | M | C | -1.8323 | |
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| 130 | Y | C | 0.0000 | |
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| 133 | I | C | 0.0000 | |
| 134 | Y | C | 0.0000 | |
| 135 | S | C | -1.9455 | |
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| 137 | W | C | 0.0000 | |
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| 140 | R | C | -2.0989 | |
| 141 | G | C | -1.7945 | |
| 142 | K | C | -1.5750 | |
| 143 | T | C | -0.8634 | |
| 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 | |
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| 150 | H | C | 0.0000 | |
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| 157 | I | C | 0.0000 | |
| 158 | H | C | 0.0000 | |
| 159 | D | C | -0.2033 | |
| 160 | P | C | 0.0000 | |
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| 162 | A | C | -0.5486 | |
| 163 | V | C | 0.0000 | |
| 164 | R | C | 0.0000 | |
| 165 | K | C | -0.8740 | |
| 166 | L | C | -0.7141 | |
| 167 | G | C | 0.0000 | |
| 168 | P | C | -1.3088 | |
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| 170 | R | C | -1.6521 | |
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| 174 | G | C | 0.0000 | |
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| 176 | L | C | 0.0000 | |
| 177 | D | C | -2.3388 | |
| 178 | E | C | -2.7616 | |
| 179 | K | C | -2.1139 | |
| 180 | T | C | 0.0000 | |
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| 182 | V | C | -0.8025 | |
| 183 | E | C | 0.0000 | |
| 184 | F | C | 0.0000 | |
| 185 | V | C | 0.0000 | |
| 186 | K | 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 | -0.4102 | |
| 194 | H | C | -0.6075 | |
| 195 | L | C | 0.0000 | |
| 196 | D | C | -1.5433 | |
| 197 | D | C | -2.1541 | |
| 198 | L | C | 0.0000 | |
| 199 | V | C | 0.0000 | |
| 200 | D | C | -1.3348 | |
| 201 | M | C | -0.6453 | |
| 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 | -0.4780 | |
| 210 | V | C | -0.0231 | |
| 211 | V | C | 0.0233 | |
| 212 | Y | C | 0.0000 | |
| 213 | N | C | -0.7757 | |
| 214 | Q | C | -0.7491 | |
| 215 | G | C | 0.0000 | |
| 216 | Y | C | 0.0000 | |
| 217 | I | C | -0.5670 | |
| 218 | N | C | -1.1364 | |
| 219 | L | C | 0.0000 | |
| 220 | R | C | -2.0866 | |
| 221 | S | C | -1.0652 | |
| 222 | G | C | 0.0000 | |
| 223 | F | C | 0.0000 | |
| 224 | P | C | 0.0000 | |
| 225 | P | C | 0.0000 | |
| 226 | G | C | -0.3345 | |
| 227 | Y | C | 0.0000 | |
| 228 | L | C | 0.0000 | |
| 229 | S | C | 0.0000 | |
| 230 | F | C | -1.1877 | |
| 231 | E | C | -2.5022 | |
| 232 | A | C | 0.0000 | |
| 233 | A | C | 0.0000 | |
| 234 | E | C | -2.7926 | |
| 235 | K | C | -2.4780 | |
| 236 | A | C | 0.0000 | |
| 237 | K | C | -1.1486 | |
| 238 | F | C | -0.4400 | |
| 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 | 0.0000 | |
| 249 | D | C | -0.8669 | |
| 250 | A | C | 0.0000 | |
| 251 | I | C | 0.0000 | |
| 252 | K | C | -1.5776 | |
| 253 | E | C | -1.5861 | |
| 254 | Y | C | -0.9368 | |
| 255 | S | C | -1.6081 | |
| 256 | E | C | -2.3686 | |
| 257 | K | C | -1.6349 | |
| 258 | S | C | -0.9787 | |
| 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 | -0.0727 | |
| 265 | F | C | 0.0000 | |
| 266 | A | C | -0.0561 | |
| 267 | W | C | 0.0000 | |
| 268 | H | C | 0.0000 | |
| 269 | D | C | -0.7900 | |
| 270 | P | C | -1.4581 | |
| 271 | L | C | 0.2405 | |
| 272 | A | C | -1.2287 | |
| 273 | E | C | -3.2670 | |
| 274 | E | C | -3.5257 | |
| 275 | Y | C | -3.1729 | |
| 276 | K | C | -4.6429 | |
| 277 | D | C | -4.9380 | |
| 278 | E | C | -4.4423 | |
| 279 | V | C | 0.0000 | |
| 280 | E | C | -4.6734 | |
| 281 | E | C | -4.4985 | |
| 282 | I | C | -3.1819 | |
| 283 | R | C | 0.0000 | |
| 284 | K | C | -4.2589 | |
| 285 | K | C | -4.0456 | |
| 286 | D | C | -3.2510 | |
| 287 | Y | C | 0.0000 | |
| 288 | E | C | -2.6887 | |
| 289 | F | C | 0.0000 | |
| 290 | V | C | 0.0000 | |
| 291 | T | C | -1.2383 | |
| 292 | I | C | -0.4292 | |
| 293 | L | C | 0.0000 | |
| 294 | H | C | -1.2802 | |
| 295 | S | C | -0.8465 | |
| 296 | K | C | -1.2556 | |
| 297 | G | C | -1.2753 | |
| 298 | K | C | -1.1499 | |
| 299 | L | C | 0.0000 | |
| 300 | D | C | -0.7678 | |
| 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 | 0.2717 | |
| 308 | S | C | 0.0000 | |
| 309 | R | C | 0.1482 | |
| 310 | L | C | 0.4952 | |
| 311 | V | C | 0.0000 | |
| 312 | Y | C | 0.0000 | |
| 313 | G | C | 0.0000 | |
| 314 | A | C | -1.2680 | |
| 315 | K | C | -2.9471 | |
| 316 | D | C | -3.2391 | |
| 317 | G | C | -2.5668 | |
| 318 | H | C | -2.2260 | |
| 319 | L | C | -1.0067 | |
| 320 | V | C | -0.3257 | |
| 321 | P | C | 0.2495 | |
| 322 | L | C | 0.0000 | |
| 323 | P | C | -0.4802 | |
| 324 | G | C | -0.9237 | |
| 325 | Y | C | 0.0000 | |
| 326 | G | C | 0.0000 | |
| 327 | F | C | 0.6125 | |
| 328 | M | C | 0.1405 | |
| 329 | S | C | -1.2357 | |
| 330 | E | C | -2.7216 | |
| 331 | R | C | -2.5899 | |
| 332 | G | C | -1.5661 | |
| 333 | G | C | -1.4681 | |
| 334 | F | C | -1.3273 | |
| 335 | A | C | 0.0000 | |
| 336 | K | C | -2.2401 | |
| 337 | S | C | -1.2609 | |
| 338 | G | C | 0.0000 | |
| 339 | R | C | -1.0051 | |
| 340 | P | C | 0.0000 | |
| 341 | A | C | 0.0000 | |
| 342 | S | C | 0.0000 | |
| 343 | D | C | -1.4448 | |
| 344 | F | C | -0.8114 | |
| 345 | G | C | 0.0000 | |
| 346 | W | C | -0.0272 | |
| 347 | E | C | 0.0000 | |
| 348 | M | C | 0.0000 | |
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| 350 | P | C | 0.0000 | |
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| 352 | G | C | 0.0000 | |
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| 354 | E | C | -1.3584 | |
| 355 | N | C | -1.3105 | |
| 356 | L | C | 0.0000 | |
| 357 | L | C | 0.0000 | |
| 358 | K | C | -2.0184 | |
| 359 | Y | C | -0.9170 | |
| 360 | L | C | 0.0000 | |
| 361 | N | C | -2.1265 | |
| 362 | N | C | -1.9962 | |
| 363 | A | C | -1.1505 | |
| 364 | Y | C | 0.0000 | |
| 365 | E | C | -2.4487 | |
| 366 | L | C | -1.2580 | |
| 367 | P | C | -1.0354 | |
| 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 | -0.4882 | |
| 379 | A | C | 0.0000 | |
| 380 | D | C | 0.0000 | |
| 381 | R | C | -0.2475 | |
| 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 | -0.9495 | |
| 393 | A | C | 0.0000 | |
| 394 | V | C | 0.0000 | |
| 395 | Y | C | -1.0837 | |
| 396 | N | C | -1.7145 | |
| 397 | A | C | 0.0000 | |
| 398 | M | C | -2.0344 | |
| 399 | K | C | -2.7449 | |
| 400 | E | C | -3.1411 | |
| 401 | G | C | -2.5717 | |
| 402 | A | C | 0.0000 | |
| 403 | D | C | -1.9704 | |
| 404 | V | C | 0.0000 | |
| 405 | R | C | -1.6819 | |
| 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 | 0.0000 | |
| 420 | Q | C | -0.9629 | |
| 421 | G | C | 0.0000 | |
| 422 | F | C | 0.0000 | |
| 423 | R | C | -2.0616 | |
| 424 | M | C | 0.0000 | |
| 425 | R | C | -0.6620 | |
| 426 | F | C | 0.0000 | |
| 427 | G | C | 0.0000 | |
| 428 | L | C | 0.0000 | |
| 429 | V | C | 0.0000 | |
| 430 | Y | C | -0.3949 | |
| 431 | V | C | 0.0000 | |
| 432 | D | C | -1.5283 | |
| 433 | F | C | 0.0000 | |
| 434 | E | C | -2.4439 | |
| 435 | T | C | -1.8091 | |
| 436 | K | C | -1.7425 | |
| 437 | K | C | -2.6167 | |
| 438 | R | C | -1.6564 | |
| 439 | Y | C | -1.2262 | |
| 440 | L | C | -0.4051 | |
| 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 | -2.1661 | |
| 449 | E | C | -1.4662 | |
| 450 | I | C | 0.0000 | |
| 451 | A | C | 0.0000 | |
| 452 | T | C | -1.4179 | |
| 453 | Q | C | -1.5805 | |
| 454 | K | C | -1.9855 | |
| 455 | E | C | -2.0358 | |
| 456 | I | C | 0.0000 | |
| 457 | P | C | 0.0000 | |
| 458 | E | C | -2.6508 | |
| 459 | E | C | -2.3184 | |
| 460 | L | C | 0.0000 | |
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| 463 | L | C | 0.0000 | |
| 464 | A | C | -0.6890 | |
| 465 | D | C | -1.0773 | |
| 466 | L | C | 0.0000 | |
| 467 | K | C | -1.4643 | |
| 468 | F | C | -0.3926 | |
| 469 | V | C | 0.0000 | |
| 470 | T | C | -1.2303 | |
| 471 | R | C | -2.1460 | |
| 1 | A | D | -1.4267 | |
| 2 | K | D | -2.5158 | |
| 3 | F | D | 0.0000 | |
| 4 | P | D | -2.0870 | |
| 5 | K | D | -2.8782 | |
| 6 | N | D | -2.4777 | |
| 7 | F | D | 0.0000 | |
| 8 | M | D | -1.0880 | |
| 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 | -0.9899 | |
| 22 | L | D | -0.6243 | |
| 23 | P | D | -0.8456 | |
| 24 | G | D | -0.9868 | |
| 25 | S | D | 0.0000 | |
| 26 | E | D | -2.0480 | |
| 27 | V | D | -1.4182 | |
| 28 | E | D | -1.8437 | |
| 29 | S | D | 0.0000 | |
| 30 | D | D | 0.0000 | |
| 31 | W | D | 0.0000 | |
| 32 | W | D | -0.4266 | |
| 33 | V | D | -0.3081 | |
| 34 | W | D | 0.0000 | |
| 35 | V | D | 0.0000 | |
| 36 | H | D | -0.6054 | |
| 37 | D | D | -0.8574 | |
| 38 | K | D | -1.5587 | |
| 39 | E | D | 0.0000 | |
| 40 | N | D | 0.0000 | |
| 41 | I | D | -0.1459 | |
| 42 | A | D | -0.1465 | |
| 43 | S | D | 0.0000 | |
| 44 | G | D | -0.6127 | |
| 45 | L | D | -0.4526 | |
| 46 | V | D | 0.0000 | |
| 47 | S | D | -0.5503 | |
| 48 | G | D | -0.7544 | |
| 49 | D | D | -1.1568 | |
| 50 | L | D | -0.3492 | |
| 51 | P | D | 0.0000 | |
| 52 | E | D | -1.0859 | |
| 53 | N | D | -1.4259 | |
| 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 | -0.9150 | |
| 60 | L | D | -0.8906 | |
| 61 | Y | D | 0.0000 | |
| 62 | K | D | -2.7706 | |
| 63 | Q | D | -2.4661 | |
| 64 | D | D | 0.0000 | |
| 65 | H | D | 0.0000 | |
| 66 | D | D | -2.6529 | |
| 67 | I | D | 0.0000 | |
| 68 | A | D | 0.0000 | |
| 69 | E | D | -2.7124 | |
| 70 | K | D | -2.7899 | |
| 71 | L | D | 0.0000 | |
| 72 | G | D | -1.8492 | |
| 73 | M | D | 0.0000 | |
| 74 | D | D | -1.2698 | |
| 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 | -1.1310 | |
| 88 | K | D | -1.3068 | |
| 89 | P | D | -0.7078 | |
| 90 | T | D | 0.0000 | |
| 91 | F | D | -0.5883 | |
| 92 | D | D | -1.7275 | |
| 93 | V | D | -1.4802 | |
| 94 | K | D | -2.2499 | |
| 95 | V | D | -1.9792 | |
| 96 | D | D | -2.8665 | |
| 97 | V | D | -1.7262 | |
| 98 | E | D | -2.3971 | |
| 99 | K | D | -2.3098 | |
| 100 | D | D | -2.6017 | |
| 101 | E | D | -3.5141 | |
| 102 | E | D | -3.2027 | |
| 103 | G | D | -2.2496 | |
| 104 | N | D | -1.2011 | |
| 105 | I | D | 0.0000 | |
| 106 | I | D | 0.7345 | |
| 107 | S | D | -0.5809 | |
| 108 | V | D | 0.0000 | |
| 109 | D | D | -2.4868 | |
| 110 | V | D | 0.0000 | |
| 111 | P | D | -1.9385 | |
| 112 | E | D | -2.6062 | |
| 113 | S | D | -2.0591 | |
| 114 | T | D | -2.1933 | |
| 115 | I | D | 0.0000 | |
| 116 | K | D | -3.2977 | |
| 117 | E | D | -3.0959 | |
| 118 | L | D | 0.0000 | |
| 119 | E | D | -1.9533 | |
| 120 | K | D | -2.4401 | |
| 121 | I | D | -1.3004 | |
| 122 | A | D | -1.2081 | |
| 123 | N | D | -1.5251 | |
| 124 | M | D | -1.5735 | |
| 125 | E | D | -2.5747 | |
| 126 | A | D | 0.0000 | |
| 127 | L | D | 0.0000 | |
| 128 | E | D | -3.1827 | |
| 129 | H | D | -2.4055 | |
| 130 | Y | D | 0.0000 | |
| 131 | R | D | -2.4807 | |
| 132 | K | D | -2.7716 | |
| 133 | I | D | 0.0000 | |
| 134 | Y | D | 0.0000 | |
| 135 | S | D | -1.9036 | |
| 136 | D | D | -2.0918 | |
| 137 | W | D | 0.0000 | |
| 138 | K | D | -2.1572 | |
| 139 | E | D | -2.4535 | |
| 140 | R | D | -2.0699 | |
| 141 | G | D | -1.6521 | |
| 142 | K | D | -1.6304 | |
| 143 | T | D | -0.8692 | |
| 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 | -0.3742 | |
| 156 | W | D | -0.3649 | |
| 157 | I | D | 0.0000 | |
| 158 | H | D | 0.0000 | |
| 159 | D | D | -0.2371 | |
| 160 | P | D | 0.0000 | |
| 161 | I | D | 0.1615 | |
| 162 | A | D | -0.2998 | |
| 163 | V | D | 0.0000 | |
| 164 | R | D | 0.0000 | |
| 165 | K | D | -0.3670 | |
| 166 | L | D | -0.4938 | |
| 167 | G | D | 0.0000 | |
| 168 | P | D | -1.2679 | |
| 169 | D | D | -2.1562 | |
| 170 | R | D | -1.4735 | |
| 171 | A | D | -0.9799 | |
| 172 | P | D | -0.7123 | |
| 173 | A | D | 0.0000 | |
| 174 | G | D | 0.0000 | |
| 175 | W | D | 0.0000 | |
| 176 | L | D | 0.0000 | |
| 177 | D | D | -2.0349 | |
| 178 | E | D | -2.5338 | |
| 179 | K | D | -1.9284 | |
| 180 | T | D | 0.0000 | |
| 181 | V | D | 0.0000 | |
| 182 | V | D | -0.7261 | |
| 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 | -0.1426 | |
| 194 | H | D | -0.4432 | |
| 195 | L | D | 0.0000 | |
| 196 | D | D | -1.4256 | |
| 197 | D | D | -2.0412 | |
| 198 | L | D | -1.5588 | |
| 199 | V | D | 0.0000 | |
| 200 | D | D | -1.2805 | |
| 201 | M | D | -0.6156 | |
| 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 | 0.0000 | |
| 208 | P | D | 0.0000 | |
| 209 | N | D | -0.4297 | |
| 210 | V | D | -0.0744 | |
| 211 | V | D | 0.0549 | |
| 212 | Y | D | 0.0000 | |
| 213 | N | D | -0.7822 | |
| 214 | Q | D | -0.7682 | |
| 215 | G | D | 0.0000 | |
| 216 | Y | D | 0.0000 | |
| 217 | I | D | -0.5491 | |
| 218 | N | D | -1.2562 | |
| 219 | L | D | 0.0000 | |
| 220 | R | D | -1.8458 | |
| 221 | S | D | -0.9414 | |
| 222 | G | D | 0.0000 | |
| 223 | F | D | 0.0000 | |
| 224 | P | D | 0.0000 | |
| 225 | P | D | 0.0000 | |
| 226 | G | D | -0.3008 | |
| 227 | Y | D | 0.0000 | |
| 228 | L | D | 0.0000 | |
| 229 | S | D | 0.0000 | |
| 230 | F | D | -1.2286 | |
| 231 | E | D | -2.5107 | |
| 232 | A | D | 0.0000 | |
| 233 | A | D | 0.0000 | |
| 234 | E | D | -2.6399 | |
| 235 | K | D | -2.4025 | |
| 236 | A | D | 0.0000 | |
| 237 | K | D | -0.7727 | |
| 238 | F | D | 0.2163 | |
| 239 | N | D | -0.7059 | |
| 240 | L | D | 0.0000 | |
| 241 | I | D | 0.0000 | |
| 242 | Q | D | 0.0976 | |
| 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 | -0.5199 | |
| 249 | D | D | -0.7417 | |
| 250 | A | D | 0.0000 | |
| 251 | I | D | 0.0000 | |
| 252 | K | D | -1.6627 | |
| 253 | E | D | -1.6356 | |
| 254 | Y | D | -0.9814 | |
| 255 | S | D | -1.6065 | |
| 256 | E | D | -2.4260 | |
| 257 | K | D | -1.6594 | |
| 258 | S | D | -0.9760 | |
| 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 | -0.0725 | |
| 265 | F | D | 0.0000 | |
| 266 | A | D | -0.0649 | |
| 267 | W | D | 0.0000 | |
| 268 | H | D | 0.0000 | |
| 269 | D | D | -0.7079 | |
| 270 | P | D | -1.2242 | |
| 271 | L | D | 0.4519 | |
| 272 | A | D | -1.0909 | |
| 273 | E | D | -3.1720 | |
| 274 | E | D | -3.4635 | |
| 275 | Y | D | -3.2398 | |
| 276 | K | D | -4.5200 | |
| 277 | D | D | -4.7068 | |
| 278 | E | D | -3.9384 | |
| 279 | V | D | 0.0000 | |
| 280 | E | D | -4.4864 | |
| 281 | E | D | -4.0431 | |
| 282 | I | D | -2.7981 | |
| 283 | R | D | 0.0000 | |
| 284 | K | D | -3.7692 | |
| 285 | K | D | -3.7366 | |
| 286 | D | D | -2.9296 | |
| 287 | Y | D | 0.0000 | |
| 288 | E | D | -2.1781 | |
| 289 | F | D | 0.0000 | |
| 290 | V | D | 0.0000 | |
| 291 | T | D | -0.9764 | |
| 292 | I | D | -0.2484 | |
| 293 | L | D | 0.0000 | |
| 294 | H | D | -1.0938 | |
| 295 | S | D | -0.7910 | |
| 296 | K | D | -0.9311 | |
| 297 | G | D | -1.1347 | |
| 298 | K | D | -0.9571 | |
| 299 | L | D | 0.0000 | |
| 300 | D | D | -0.6305 | |
| 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 | 0.2464 | |
| 308 | S | D | 0.0000 | |
| 309 | R | D | 0.1257 | |
| 310 | L | D | 0.5082 | |
| 311 | V | D | 0.0000 | |
| 312 | Y | D | 0.0000 | |
| 313 | G | D | 0.0000 | |
| 314 | A | D | -1.1369 | |
| 315 | K | D | -2.6554 | |
| 316 | D | D | -2.9781 | |
| 317 | G | D | -2.4229 | |
| 318 | H | D | -1.8710 | |
| 319 | L | D | -0.8038 | |
| 320 | V | D | -0.2363 | |
| 321 | P | D | 0.2181 | |
| 322 | L | D | 0.0000 | |
| 323 | P | D | -0.4427 | |
| 324 | G | D | -1.0751 | |
| 325 | Y | D | -0.2621 | |
| 326 | G | D | 0.0000 | |
| 327 | F | D | 0.4596 | |
| 328 | M | D | 0.0143 | |
| 329 | S | D | -1.2743 | |
| 330 | E | D | -2.7458 | |
| 331 | R | D | -2.6405 | |
| 332 | G | D | -1.5731 | |
| 333 | G | D | -1.4286 | |
| 334 | F | D | -1.3209 | |
| 335 | A | D | 0.0000 | |
| 336 | K | D | -2.2195 | |
| 337 | S | D | -1.2923 | |
| 338 | G | D | 0.0000 | |
| 339 | R | D | -1.0704 | |
| 340 | P | D | 0.0000 | |
| 341 | A | D | 0.0000 | |
| 342 | S | D | 0.0000 | |
| 343 | D | D | -1.4659 | |
| 344 | F | D | -0.8968 | |
| 345 | G | D | 0.0000 | |
| 346 | W | D | -0.0774 | |
| 347 | E | D | 0.0000 | |
| 348 | M | D | 0.0000 | |
| 349 | Y | D | -0.1188 | |
| 350 | P | D | 0.0000 | |
| 351 | E | D | -1.1038 | |
| 352 | G | D | 0.0000 | |
| 353 | L | D | 0.0000 | |
| 354 | E | D | -1.7289 | |
| 355 | N | D | -1.6372 | |
| 356 | L | D | 0.0000 | |
| 357 | L | D | 0.0000 | |
| 358 | K | D | -2.7831 | |
| 359 | Y | D | -1.2558 | |
| 360 | L | D | 0.0000 | |
| 361 | N | D | -2.1806 | |
| 362 | N | D | -2.1561 | |
| 363 | A | D | -1.4076 | |
| 364 | Y | D | 0.0000 | |
| 365 | E | D | -2.4573 | |
| 366 | L | D | -1.1948 | |
| 367 | P | D | -0.9879 | |
| 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 | -0.5110 | |
| 379 | A | D | 0.0000 | |
| 380 | D | D | 0.0000 | |
| 381 | R | D | -0.2448 | |
| 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 | -1.1931 | |
| 393 | A | D | 0.0000 | |
| 394 | V | D | 0.0000 | |
| 395 | Y | D | -1.1821 | |
| 396 | N | D | -1.7965 | |
| 397 | A | D | 0.0000 | |
| 398 | M | D | -2.1211 | |
| 399 | K | D | -2.7559 | |
| 400 | E | D | -3.2938 | |
| 401 | G | D | -2.7031 | |
| 402 | A | D | 0.0000 | |
| 403 | D | D | -1.9545 | |
| 404 | V | D | 0.0000 | |
| 405 | R | D | -1.8213 | |
| 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 | 0.0000 | |
| 418 | W | D | 0.0000 | |
| 419 | A | D | 0.0000 | |
| 420 | Q | D | -0.9695 | |
| 421 | G | D | 0.0000 | |
| 422 | F | D | -1.0294 | |
| 423 | R | D | -2.0036 | |
| 424 | M | D | 0.0000 | |
| 425 | R | D | -0.6461 | |
| 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 | -1.3563 | |
| 433 | F | D | -1.4424 | |
| 434 | E | D | -2.2314 | |
| 435 | T | D | -1.5549 | |
| 436 | K | D | -1.3350 | |
| 437 | K | D | -1.8377 | |
| 438 | R | D | -1.2426 | |
| 439 | Y | D | -0.9250 | |
| 440 | L | D | -0.3625 | |
| 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 | -2.2840 | |
| 449 | E | D | -1.7944 | |
| 450 | I | D | 0.0000 | |
| 451 | A | D | 0.0000 | |
| 452 | T | D | -1.8142 | |
| 453 | Q | D | -2.3877 | |
| 454 | K | D | -2.4505 | |
| 455 | E | D | -2.4291 | |
| 456 | I | D | 0.0000 | |
| 457 | P | D | -2.0124 | |
| 458 | E | D | -2.3178 | |
| 459 | E | D | -2.0834 | |
| 460 | L | D | 0.0000 | |
| 461 | A | D | -1.3943 | |
| 462 | H | D | -1.3562 | |
| 463 | L | D | 0.0000 | |
| 464 | A | D | -1.2677 | |
| 465 | D | D | -2.2884 | |
| 466 | L | D | 0.0000 | |
| 467 | K | D | -2.2950 | |
| 468 | F | D | -0.9162 | |
| 469 | V | D | 0.0000 | |
| 470 | T | D | -1.5128 | |
| 471 | R | D | -2.2534 |
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 | -0.6659 | 1.9532 | View | CSV | PDB |
| 4.5 | -0.7414 | 1.916 | View | CSV | PDB |
| 5.0 | -0.8351 | 1.8646 | View | CSV | PDB |
| 5.5 | -0.9295 | 1.8077 | View | CSV | PDB |
| 6.0 | -1.0052 | 1.754 | View | CSV | PDB |
| 6.5 | -1.0457 | 1.7124 | View | CSV | PDB |
| 7.0 | -1.0485 | 1.6883 | View | CSV | PDB |
| 7.5 | -1.0252 | 1.696 | View | CSV | PDB |
| 8.0 | -0.9876 | 1.7631 | View | CSV | PDB |
| 8.5 | -0.9409 | 1.8338 | View | CSV | PDB |
| 9.0 | -0.886 | 1.9739 | 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