| 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. (00:00:09)
[INFO] FoldX: Starting FoldX energy minimization (00:00:10)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:55:46)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/19e52526c04a8c2/tmp/folded.pdb (00:55:46)
[INFO] Main: Simulation completed successfully. (01:47:19)
|
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 | -1.5335 | |
| 2 | K | A | -2.6293 | |
| 3 | F | A | 0.0000 | |
| 4 | P | A | -2.1369 | |
| 5 | K | A | -2.8701 | |
| 6 | N | A | -2.4254 | |
| 7 | F | A | 0.0000 | |
| 8 | M | A | -1.0432 | |
| 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 | -0.0323 | |
| 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 | -1.0827 | |
| 22 | L | A | -0.5819 | |
| 23 | P | A | -0.9969 | |
| 24 | G | A | -1.1335 | |
| 25 | S | A | 0.0000 | |
| 26 | E | A | -2.4636 | |
| 27 | V | A | 0.0000 | |
| 28 | E | A | -1.9808 | |
| 29 | S | A | 0.0000 | |
| 30 | D | A | 0.0000 | |
| 31 | W | A | 0.0000 | |
| 32 | W | A | -0.2049 | |
| 33 | V | A | -0.1940 | |
| 34 | W | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | H | A | -0.7221 | |
| 37 | D | A | -0.9418 | |
| 38 | K | A | -1.5563 | |
| 39 | E | A | 0.0000 | |
| 40 | N | A | 0.0000 | |
| 41 | I | A | -0.4929 | |
| 42 | A | A | -0.2114 | |
| 43 | S | A | -0.4844 | |
| 44 | G | A | -0.6194 | |
| 45 | L | A | 0.0000 | |
| 46 | V | A | 0.0000 | |
| 47 | S | A | -0.8114 | |
| 48 | G | A | -0.9423 | |
| 49 | D | A | -1.1560 | |
| 50 | L | A | -0.4073 | |
| 51 | P | A | 0.0000 | |
| 52 | E | A | -1.4216 | |
| 53 | N | A | -1.5440 | |
| 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 | -0.8468 | |
| 60 | L | A | -0.6580 | |
| 61 | Y | A | -1.3164 | |
| 62 | K | A | -2.5146 | |
| 63 | Q | A | -2.2447 | |
| 64 | D | A | 0.0000 | |
| 65 | H | A | 0.0000 | |
| 66 | D | A | -3.0581 | |
| 67 | I | A | 0.0000 | |
| 68 | A | A | 0.0000 | |
| 69 | E | A | -2.2317 | |
| 70 | K | A | -2.0263 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | -1.2127 | |
| 73 | M | A | 0.0000 | |
| 74 | D | A | -1.0920 | |
| 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 | 0.0000 | |
| 82 | W | A | 0.0000 | |
| 83 | A | A | -0.3961 | |
| 84 | R | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | P | A | -1.2355 | |
| 88 | K | A | -1.8409 | |
| 89 | P | A | -0.9421 | |
| 90 | T | A | 0.0000 | |
| 91 | F | A | -0.8559 | |
| 92 | D | A | -1.9008 | |
| 93 | V | A | -1.6684 | |
| 94 | K | A | -2.2976 | |
| 95 | V | A | -2.0919 | |
| 96 | D | A | -2.9521 | |
| 97 | V | A | -1.6817 | |
| 98 | E | A | -2.2870 | |
| 99 | K | A | -2.5136 | |
| 100 | D | A | -3.5535 | |
| 101 | E | A | -3.6097 | |
| 102 | E | A | -3.4225 | |
| 103 | G | A | -2.7124 | |
| 104 | N | A | -2.0563 | |
| 105 | I | A | -0.6936 | |
| 106 | I | A | 0.5966 | |
| 107 | S | A | -0.8008 | |
| 108 | V | A | -1.6511 | |
| 109 | D | A | -3.1592 | |
| 110 | V | A | 0.0000 | |
| 111 | P | A | -2.1655 | |
| 112 | E | A | -2.5542 | |
| 113 | S | A | -2.1677 | |
| 114 | T | A | 0.0000 | |
| 115 | I | A | 0.0000 | |
| 116 | K | A | -3.2159 | |
| 117 | E | A | -3.2404 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | -2.0736 | |
| 120 | K | A | -2.6644 | |
| 121 | I | A | -1.5638 | |
| 122 | A | A | -1.4439 | |
| 123 | N | A | -1.3622 | |
| 124 | M | A | -1.4024 | |
| 125 | E | A | -2.4375 | |
| 126 | A | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | E | A | -2.9864 | |
| 129 | H | A | -2.2296 | |
| 130 | Y | A | 0.0000 | |
| 131 | R | A | -2.4283 | |
| 132 | K | A | -2.4787 | |
| 133 | I | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | S | A | -2.3990 | |
| 136 | D | A | -2.3559 | |
| 137 | W | A | 0.0000 | |
| 138 | K | A | -3.5776 | |
| 139 | E | A | -3.1542 | |
| 140 | R | A | -2.6131 | |
| 141 | G | A | -2.1101 | |
| 142 | K | A | -1.9126 | |
| 143 | T | A | -1.0534 | |
| 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 | -0.0751 | |
| 151 | W | A | 0.0815 | |
| 152 | P | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | L | A | -0.1110 | |
| 156 | W | A | -0.0950 | |
| 157 | I | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | D | A | -0.3187 | |
| 160 | P | A | 0.0000 | |
| 161 | I | A | 0.1806 | |
| 162 | A | A | -0.3572 | |
| 163 | V | A | 0.0000 | |
| 164 | R | A | 0.0000 | |
| 165 | K | A | 0.1670 | |
| 166 | L | A | -0.1814 | |
| 167 | G | A | 0.0000 | |
| 168 | P | A | -1.2157 | |
| 169 | D | A | -2.2724 | |
| 170 | R | A | -1.9667 | |
| 171 | A | A | -1.2658 | |
| 172 | P | A | -0.7607 | |
| 173 | A | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | W | A | 0.0000 | |
| 176 | L | A | -1.2854 | |
| 177 | D | A | -1.8471 | |
| 178 | E | A | -2.2533 | |
| 179 | K | A | -1.8462 | |
| 180 | T | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | V | A | -0.7938 | |
| 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 | -0.1229 | |
| 194 | H | A | -0.4902 | |
| 195 | L | A | 0.0000 | |
| 196 | D | A | -1.8975 | |
| 197 | D | A | -2.4831 | |
| 198 | L | A | -1.8809 | |
| 199 | V | A | 0.0000 | |
| 200 | D | A | -2.0420 | |
| 201 | M | A | -0.8793 | |
| 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 | -0.1586 | |
| 208 | P | A | 0.0000 | |
| 209 | N | A | -0.5346 | |
| 210 | V | A | -0.1678 | |
| 211 | V | A | 0.0000 | |
| 212 | Y | A | -0.6022 | |
| 213 | N | A | -0.7799 | |
| 214 | Q | A | -0.7388 | |
| 215 | G | A | 0.0000 | |
| 216 | Y | A | 0.0000 | |
| 217 | I | A | -0.0061 | |
| 218 | N | A | -0.9935 | |
| 219 | L | A | 0.0000 | |
| 220 | R | A | -1.9691 | |
| 221 | S | A | -1.2271 | |
| 222 | G | A | -0.8282 | |
| 223 | F | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | G | A | -0.2874 | |
| 227 | Y | A | 0.1545 | |
| 228 | L | A | 0.0000 | |
| 229 | S | A | 0.0000 | |
| 230 | F | A | -0.5779 | |
| 231 | E | A | -2.1204 | |
| 232 | A | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | E | A | -2.7083 | |
| 235 | K | A | -2.3377 | |
| 236 | A | A | 0.0000 | |
| 237 | K | A | -1.3117 | |
| 238 | F | A | -1.1746 | |
| 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 | -0.9078 | |
| 249 | D | A | -1.9682 | |
| 250 | A | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | K | A | -2.3628 | |
| 253 | E | A | -2.7489 | |
| 254 | Y | A | -1.3058 | |
| 255 | S | A | 0.0000 | |
| 256 | E | A | -2.6998 | |
| 257 | K | A | -1.7925 | |
| 258 | S | A | -1.0090 | |
| 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 | -0.0482 | |
| 265 | F | A | 0.0000 | |
| 266 | A | A | 0.0311 | |
| 267 | W | A | 0.0000 | |
| 268 | H | A | 0.0000 | |
| 269 | D | A | -0.3834 | |
| 270 | P | A | -0.9270 | |
| 271 | L | A | 0.4756 | |
| 272 | A | A | -1.0366 | |
| 273 | E | A | -2.9666 | |
| 274 | E | A | -3.1746 | |
| 275 | Y | A | -2.8029 | |
| 276 | K | A | -3.9235 | |
| 277 | D | A | -4.3508 | |
| 278 | E | A | -3.9249 | |
| 279 | V | A | 0.0000 | |
| 280 | E | A | -4.2330 | |
| 281 | E | A | -4.5223 | |
| 282 | I | A | -3.2016 | |
| 283 | R | A | 0.0000 | |
| 284 | K | A | -4.2047 | |
| 285 | K | A | -4.2206 | |
| 286 | D | A | -3.3314 | |
| 287 | Y | A | 0.0000 | |
| 288 | E | A | -3.0185 | |
| 289 | F | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | T | A | -1.4239 | |
| 292 | I | A | -0.6489 | |
| 293 | L | A | 0.0000 | |
| 294 | H | A | -1.3583 | |
| 295 | S | A | -1.2216 | |
| 296 | K | A | -2.1214 | |
| 297 | G | A | -1.6381 | |
| 298 | K | A | -1.4045 | |
| 299 | L | A | 0.0000 | |
| 300 | D | A | -0.7508 | |
| 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 | 0.3609 | |
| 308 | S | A | 0.0000 | |
| 309 | R | A | 0.0000 | |
| 310 | L | A | 0.6564 | |
| 311 | V | A | 0.0000 | |
| 312 | Y | A | 0.0000 | |
| 313 | G | A | 0.0000 | |
| 314 | A | A | -1.4822 | |
| 315 | K | A | -2.6807 | |
| 316 | D | A | -2.9423 | |
| 317 | G | A | -2.1592 | |
| 318 | H | A | -1.8812 | |
| 319 | L | A | 0.0000 | |
| 320 | V | A | -0.3889 | |
| 321 | P | A | 0.2675 | |
| 322 | L | A | 0.0000 | |
| 323 | P | A | -0.3733 | |
| 324 | G | A | -1.0340 | |
| 325 | Y | A | -0.1606 | |
| 326 | G | A | 0.0000 | |
| 327 | F | A | 1.0201 | |
| 328 | M | A | 0.4003 | |
| 329 | S | A | 0.0000 | |
| 330 | E | A | -2.7133 | |
| 331 | R | A | -2.8149 | |
| 332 | G | A | -1.7083 | |
| 333 | G | A | -1.5345 | |
| 334 | F | A | -1.2706 | |
| 335 | A | A | 0.0000 | |
| 336 | K | A | -2.2079 | |
| 337 | S | A | -1.2551 | |
| 338 | G | A | -1.6703 | |
| 339 | R | A | -1.2013 | |
| 340 | P | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | D | A | -1.5690 | |
| 344 | F | A | -0.7800 | |
| 345 | G | A | 0.0000 | |
| 346 | W | A | 0.0311 | |
| 347 | E | A | 0.0000 | |
| 348 | M | A | 0.0000 | |
| 349 | Y | A | 0.0448 | |
| 350 | P | A | 0.0000 | |
| 351 | E | A | -0.9327 | |
| 352 | G | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | E | A | -1.6543 | |
| 355 | N | A | -1.7840 | |
| 356 | L | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | K | A | -2.3328 | |
| 359 | Y | A | -1.0855 | |
| 360 | L | A | 0.0000 | |
| 361 | N | A | -2.2101 | |
| 362 | N | A | -2.0243 | |
| 363 | A | A | -1.1772 | |
| 364 | Y | A | 0.0000 | |
| 365 | E | A | -2.5162 | |
| 366 | L | A | -1.2252 | |
| 367 | P | A | -1.0448 | |
| 368 | M | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | E | A | -0.2114 | |
| 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 | -0.3005 | |
| 379 | A | A | -0.1428 | |
| 380 | D | A | 0.0000 | |
| 381 | R | A | -0.5098 | |
| 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 | -0.7318 | |
| 393 | A | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | Y | A | -1.2791 | |
| 396 | N | A | -1.7077 | |
| 397 | A | A | 0.0000 | |
| 398 | M | A | -2.0085 | |
| 399 | K | A | -2.8907 | |
| 400 | E | A | -3.1777 | |
| 401 | G | A | -2.5654 | |
| 402 | A | A | 0.0000 | |
| 403 | D | A | -1.9930 | |
| 404 | V | A | 0.0000 | |
| 405 | R | A | -1.6494 | |
| 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 | -0.6372 | |
| 418 | W | A | -0.1320 | |
| 419 | A | A | -0.6267 | |
| 420 | Q | A | -1.1558 | |
| 421 | G | A | 0.0000 | |
| 422 | F | A | -1.0720 | |
| 423 | R | A | -2.0195 | |
| 424 | M | A | 0.0000 | |
| 425 | R | A | -0.6620 | |
| 426 | F | A | 0.0000 | |
| 427 | G | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | Y | A | -0.3243 | |
| 431 | V | A | 0.0000 | |
| 432 | D | A | -1.2519 | |
| 433 | F | A | -1.3620 | |
| 434 | E | A | -2.2680 | |
| 435 | T | A | -1.4810 | |
| 436 | K | A | -1.5001 | |
| 437 | K | A | -2.0130 | |
| 438 | R | A | -1.1545 | |
| 439 | Y | A | -1.0490 | |
| 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 | -0.9407 | |
| 449 | E | A | -0.7478 | |
| 450 | I | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | T | A | -1.3108 | |
| 453 | Q | A | -2.1087 | |
| 454 | K | A | -2.1984 | |
| 455 | E | A | -2.3965 | |
| 456 | I | A | 0.0000 | |
| 457 | P | A | 0.0000 | |
| 458 | E | A | -2.5307 | |
| 459 | E | A | -2.0118 | |
| 460 | L | A | 0.0000 | |
| 461 | A | A | -1.0275 | |
| 462 | H | A | 0.0000 | |
| 463 | L | A | 0.0000 | |
| 464 | A | A | -0.7235 | |
| 465 | D | A | -0.9889 | |
| 466 | L | A | -0.9533 | |
| 467 | K | A | -1.9162 | |
| 468 | F | A | -0.7179 | |
| 469 | V | A | 0.0000 | |
| 470 | T | A | -1.5025 | |
| 471 | R | A | -2.3053 | |
| 1 | A | B | -1.2195 | |
| 2 | K | B | -2.3679 | |
| 3 | F | B | 0.0000 | |
| 4 | P | B | -2.1431 | |
| 5 | K | B | -2.7084 | |
| 6 | N | B | -2.3866 | |
| 7 | F | B | 0.0000 | |
| 8 | M | B | -1.0381 | |
| 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 | -1.2969 | |
| 22 | L | B | -0.7824 | |
| 23 | P | B | -0.9863 | |
| 24 | G | B | -1.1828 | |
| 25 | S | B | 0.0000 | |
| 26 | E | B | -2.6300 | |
| 27 | V | B | 0.0000 | |
| 28 | E | B | -2.1526 | |
| 29 | S | B | 0.0000 | |
| 30 | D | B | 0.0000 | |
| 31 | W | B | 0.0000 | |
| 32 | W | B | 0.0000 | |
| 33 | V | B | -0.3263 | |
| 34 | W | B | 0.0000 | |
| 35 | V | B | 0.0000 | |
| 36 | H | B | -0.5603 | |
| 37 | D | B | -0.9065 | |
| 38 | K | B | -1.4775 | |
| 39 | E | B | 0.0000 | |
| 40 | N | B | 0.0000 | |
| 41 | I | B | -0.2184 | |
| 42 | A | B | -0.1337 | |
| 43 | S | B | 0.0000 | |
| 44 | G | B | -0.6439 | |
| 45 | L | B | 0.0000 | |
| 46 | V | B | 0.0000 | |
| 47 | S | B | -0.6271 | |
| 48 | G | B | -0.7699 | |
| 49 | D | B | -1.1118 | |
| 50 | L | B | -0.1139 | |
| 51 | P | B | 0.0000 | |
| 52 | E | B | -1.8217 | |
| 53 | N | B | -1.6762 | |
| 54 | G | B | 0.0000 | |
| 55 | P | B | 0.0000 | |
| 56 | A | B | 0.0000 | |
| 57 | Y | B | 0.0000 | |
| 58 | W | B | -0.5756 | |
| 59 | H | B | -1.0798 | |
| 60 | L | B | -0.8677 | |
| 61 | Y | B | 0.0000 | |
| 62 | K | B | -2.6216 | |
| 63 | Q | B | -2.2514 | |
| 64 | D | B | 0.0000 | |
| 65 | H | B | 0.0000 | |
| 66 | D | B | -2.1717 | |
| 67 | I | B | 0.0000 | |
| 68 | A | B | 0.0000 | |
| 69 | E | B | -2.0503 | |
| 70 | K | B | -1.9957 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | -1.3569 | |
| 73 | M | B | 0.0000 | |
| 74 | D | B | -0.8424 | |
| 75 | C | B | 0.0000 | |
| 76 | I | B | 0.0000 | |
| 77 | R | B | 0.0000 | |
| 78 | G | B | 0.0000 | |
| 79 | G | B | 0.0000 | |
| 80 | I | B | 0.0000 | |
| 81 | E | B | 0.0000 | |
| 82 | W | B | 0.0000 | |
| 83 | A | B | -0.7049 | |
| 84 | R | B | -1.0016 | |
| 85 | I | B | 0.0000 | |
| 86 | F | B | 0.0000 | |
| 87 | P | B | -1.3222 | |
| 88 | K | B | -1.6781 | |
| 89 | P | B | -0.7971 | |
| 90 | T | B | 0.0000 | |
| 91 | F | B | -0.7216 | |
| 92 | D | B | -1.7482 | |
| 93 | V | B | -1.3370 | |
| 94 | K | B | -2.4001 | |
| 95 | V | B | 0.0000 | |
| 96 | D | B | -3.0180 | |
| 97 | V | B | -1.7556 | |
| 98 | E | B | -2.4691 | |
| 99 | K | B | -2.3544 | |
| 100 | D | B | -2.8970 | |
| 101 | E | B | -3.5845 | |
| 102 | E | B | -3.1865 | |
| 103 | G | B | -2.3936 | |
| 104 | N | B | -1.4178 | |
| 105 | I | B | 0.0000 | |
| 106 | I | B | 0.7835 | |
| 107 | S | B | -0.6622 | |
| 108 | V | B | -1.4264 | |
| 109 | D | B | -3.1785 | |
| 110 | V | B | 0.0000 | |
| 111 | P | B | -2.0559 | |
| 112 | E | B | -2.6151 | |
| 113 | S | B | -2.0359 | |
| 114 | T | B | 0.0000 | |
| 115 | I | B | 0.0000 | |
| 116 | K | B | -3.3627 | |
| 117 | E | B | -2.8587 | |
| 118 | L | B | 0.0000 | |
| 119 | E | B | -2.4661 | |
| 120 | K | B | -2.6469 | |
| 121 | I | B | -1.7013 | |
| 122 | A | B | -1.7136 | |
| 123 | N | B | -1.6794 | |
| 124 | M | B | -1.6735 | |
| 125 | E | B | -2.5082 | |
| 126 | A | B | 0.0000 | |
| 127 | L | B | 0.0000 | |
| 128 | E | B | -3.0823 | |
| 129 | H | B | -2.4087 | |
| 130 | Y | B | 0.0000 | |
| 131 | R | B | -2.2617 | |
| 132 | K | B | -2.9231 | |
| 133 | I | B | 0.0000 | |
| 134 | Y | B | 0.0000 | |
| 135 | S | B | -2.0296 | |
| 136 | D | B | -2.2237 | |
| 137 | W | B | 0.0000 | |
| 138 | K | B | -2.3355 | |
| 139 | E | B | -2.7506 | |
| 140 | R | B | -2.1039 | |
| 141 | G | B | -1.6736 | |
| 142 | K | B | -1.4821 | |
| 143 | T | B | -0.8362 | |
| 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 | 0.0000 | |
| 151 | W | B | 0.0998 | |
| 152 | P | B | 0.0000 | |
| 153 | L | B | 0.0000 | |
| 154 | P | B | 0.0000 | |
| 155 | L | B | -0.1685 | |
| 156 | W | B | -0.2538 | |
| 157 | I | B | 0.0000 | |
| 158 | H | B | 0.0000 | |
| 159 | D | B | -0.1761 | |
| 160 | P | B | 0.0000 | |
| 161 | I | B | 0.2591 | |
| 162 | A | B | -0.1625 | |
| 163 | V | B | 0.0000 | |
| 164 | R | B | 0.0000 | |
| 165 | K | B | 0.2646 | |
| 166 | L | B | -0.0682 | |
| 167 | G | B | 0.0000 | |
| 168 | P | B | -0.9926 | |
| 169 | D | B | -2.0274 | |
| 170 | R | B | -1.3906 | |
| 171 | A | B | -0.9269 | |
| 172 | P | B | -0.6965 | |
| 173 | A | B | 0.0000 | |
| 174 | G | B | 0.0000 | |
| 175 | W | B | 0.0000 | |
| 176 | L | B | 0.0000 | |
| 177 | D | B | -2.2909 | |
| 178 | E | B | -2.8974 | |
| 179 | K | B | -2.4930 | |
| 180 | T | B | 0.0000 | |
| 181 | V | B | 0.0000 | |
| 182 | V | B | -0.7937 | |
| 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 | -0.4821 | |
| 194 | H | B | -0.6922 | |
| 195 | L | B | 0.0000 | |
| 196 | D | B | -1.8300 | |
| 197 | D | B | -2.2927 | |
| 198 | L | B | 0.0000 | |
| 199 | V | B | 0.0000 | |
| 200 | D | B | -1.3752 | |
| 201 | M | B | -0.6411 | |
| 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 | -0.0771 | |
| 208 | P | B | 0.0000 | |
| 209 | N | B | -0.4064 | |
| 210 | V | B | -0.0554 | |
| 211 | V | B | 0.0000 | |
| 212 | Y | B | -0.6621 | |
| 213 | N | B | -0.6641 | |
| 214 | Q | B | -0.7419 | |
| 215 | G | B | 0.0000 | |
| 216 | Y | B | 0.0000 | |
| 217 | I | B | -0.1543 | |
| 218 | N | B | -0.5233 | |
| 219 | L | B | 0.0000 | |
| 220 | R | B | -1.1345 | |
| 221 | S | B | -0.7441 | |
| 222 | G | B | 0.0000 | |
| 223 | F | B | 0.0000 | |
| 224 | P | B | 0.0000 | |
| 225 | P | B | 0.0000 | |
| 226 | G | B | -0.2660 | |
| 227 | Y | B | 0.0000 | |
| 228 | L | B | 0.0000 | |
| 229 | S | B | 0.0000 | |
| 230 | F | B | -0.5390 | |
| 231 | E | B | -2.1214 | |
| 232 | A | B | 0.0000 | |
| 233 | A | B | -1.6656 | |
| 234 | E | B | -2.7649 | |
| 235 | K | B | -2.7085 | |
| 236 | A | B | 0.0000 | |
| 237 | K | B | -1.2871 | |
| 238 | F | B | -0.9625 | |
| 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 | -1.0393 | |
| 249 | D | B | -1.9438 | |
| 250 | A | B | 0.0000 | |
| 251 | I | B | 0.0000 | |
| 252 | K | B | -2.4791 | |
| 253 | E | B | -2.8490 | |
| 254 | Y | B | -1.6166 | |
| 255 | S | B | -1.9944 | |
| 256 | E | B | -2.6566 | |
| 257 | K | B | -1.6181 | |
| 258 | S | B | -0.8928 | |
| 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 | 0.0227 | |
| 265 | F | B | 0.0000 | |
| 266 | A | B | -0.0387 | |
| 267 | W | B | 0.0000 | |
| 268 | H | B | 0.0000 | |
| 269 | D | B | -0.4000 | |
| 270 | P | B | -1.0621 | |
| 271 | L | B | 0.6189 | |
| 272 | A | B | -1.0974 | |
| 273 | E | B | -3.1068 | |
| 274 | E | B | -3.4000 | |
| 275 | Y | B | -2.9609 | |
| 276 | K | B | -4.4057 | |
| 277 | D | B | -4.6457 | |
| 278 | E | B | -4.0690 | |
| 279 | V | B | 0.0000 | |
| 280 | E | B | -4.3132 | |
| 281 | E | B | -4.5611 | |
| 282 | I | B | -3.1670 | |
| 283 | R | B | 0.0000 | |
| 284 | K | B | -4.0469 | |
| 285 | K | B | -4.1003 | |
| 286 | D | B | -3.0892 | |
| 287 | Y | B | 0.0000 | |
| 288 | E | B | -2.9688 | |
| 289 | F | B | 0.0000 | |
| 290 | V | B | 0.0000 | |
| 291 | T | B | -1.3674 | |
| 292 | I | B | -0.5666 | |
| 293 | L | B | 0.0000 | |
| 294 | H | B | -1.2129 | |
| 295 | S | B | -0.8575 | |
| 296 | K | B | -1.3185 | |
| 297 | G | B | -1.2010 | |
| 298 | K | B | -1.1606 | |
| 299 | L | B | 0.0000 | |
| 300 | D | B | -0.5189 | |
| 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 | 0.3385 | |
| 308 | S | B | 0.0000 | |
| 309 | R | B | 0.0822 | |
| 310 | L | B | 0.5253 | |
| 311 | V | B | 0.0000 | |
| 312 | Y | B | 0.0000 | |
| 313 | G | B | 0.0000 | |
| 314 | A | B | -1.0930 | |
| 315 | K | B | -2.7870 | |
| 316 | D | B | -3.0302 | |
| 317 | G | B | -2.2260 | |
| 318 | H | B | -2.2249 | |
| 319 | L | B | -0.8332 | |
| 320 | V | B | -0.0982 | |
| 321 | P | B | 0.3208 | |
| 322 | L | B | 0.5245 | |
| 323 | P | B | -0.3096 | |
| 324 | G | B | -0.7173 | |
| 325 | Y | B | -0.2096 | |
| 326 | G | B | 0.0000 | |
| 327 | F | B | 0.4997 | |
| 328 | M | B | 0.1923 | |
| 329 | S | B | 0.0000 | |
| 330 | E | B | -2.7332 | |
| 331 | R | B | -2.8712 | |
| 332 | G | B | -2.0697 | |
| 333 | G | B | -1.3589 | |
| 334 | F | B | -0.5543 | |
| 335 | A | B | 0.0000 | |
| 336 | K | B | -2.0586 | |
| 337 | S | B | -1.0832 | |
| 338 | G | B | 0.0000 | |
| 339 | R | B | -0.8713 | |
| 340 | P | B | 0.0000 | |
| 341 | A | B | 0.0000 | |
| 342 | S | B | -1.0276 | |
| 343 | D | B | -2.1037 | |
| 344 | F | B | -0.7544 | |
| 345 | G | B | 0.0000 | |
| 346 | W | B | 0.0333 | |
| 347 | E | B | 0.0000 | |
| 348 | M | B | 0.0000 | |
| 349 | Y | B | -0.0751 | |
| 350 | P | B | 0.0000 | |
| 351 | E | B | -1.1617 | |
| 352 | G | B | 0.0000 | |
| 353 | L | B | 0.0000 | |
| 354 | E | B | -1.4491 | |
| 355 | N | B | -1.3270 | |
| 356 | L | B | 0.0000 | |
| 357 | L | B | 0.0000 | |
| 358 | K | B | -1.9359 | |
| 359 | Y | B | -0.9723 | |
| 360 | L | B | 0.0000 | |
| 361 | N | B | -1.8582 | |
| 362 | N | B | -1.9283 | |
| 363 | A | B | -1.2559 | |
| 364 | Y | B | -1.2223 | |
| 365 | E | B | -2.3029 | |
| 366 | L | B | -1.1603 | |
| 367 | P | B | -1.0401 | |
| 368 | M | B | 0.0000 | |
| 369 | I | B | 0.0000 | |
| 370 | I | B | 0.0000 | |
| 371 | T | B | 0.0000 | |
| 372 | E | B | -0.1246 | |
| 373 | N | B | 0.0000 | |
| 374 | G | B | 0.0110 | |
| 375 | M | B | 0.0000 | |
| 376 | A | B | -0.4166 | |
| 377 | D | B | -0.3831 | |
| 378 | A | B | -0.2817 | |
| 379 | A | B | -0.1393 | |
| 380 | D | B | 0.0000 | |
| 381 | R | B | -0.6858 | |
| 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 | -1.1755 | |
| 393 | A | B | 0.0000 | |
| 394 | V | B | 0.0000 | |
| 395 | Y | B | -1.0913 | |
| 396 | N | B | -1.9167 | |
| 397 | A | B | 0.0000 | |
| 398 | M | B | -2.0606 | |
| 399 | K | B | -2.8039 | |
| 400 | E | B | -3.1042 | |
| 401 | G | B | -2.3162 | |
| 402 | A | B | 0.0000 | |
| 403 | D | B | -1.9533 | |
| 404 | V | B | 0.0000 | |
| 405 | R | B | -1.8412 | |
| 406 | G | B | 0.0000 | |
| 407 | Y | B | 0.0000 | |
| 408 | L | B | 0.0000 | |
| 409 | H | B | 0.0000 | |
| 410 | W | B | 0.0893 | |
| 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 | -0.6945 | |
| 418 | W | B | 0.0000 | |
| 419 | A | B | -0.5456 | |
| 420 | Q | B | -1.1291 | |
| 421 | G | B | 0.0000 | |
| 422 | F | B | -0.7723 | |
| 423 | R | B | -1.9375 | |
| 424 | M | B | 0.0000 | |
| 425 | R | B | -0.3540 | |
| 426 | F | B | 0.0627 | |
| 427 | G | B | 0.0000 | |
| 428 | L | B | 0.0000 | |
| 429 | V | B | 0.0000 | |
| 430 | Y | B | 0.0000 | |
| 431 | V | B | 0.0000 | |
| 432 | D | B | -1.6089 | |
| 433 | F | B | -1.5905 | |
| 434 | E | B | -2.4203 | |
| 435 | T | B | -1.8944 | |
| 436 | K | B | -2.0103 | |
| 437 | K | B | -2.5315 | |
| 438 | R | B | -1.5703 | |
| 439 | Y | B | 0.0000 | |
| 440 | L | B | -0.2856 | |
| 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 | -1.2348 | |
| 449 | E | B | -1.0290 | |
| 450 | I | B | 0.0000 | |
| 451 | A | B | 0.0000 | |
| 452 | T | B | -1.0865 | |
| 453 | Q | B | -1.6248 | |
| 454 | K | B | -1.9548 | |
| 455 | E | B | -1.8132 | |
| 456 | I | B | -1.1952 | |
| 457 | P | B | 0.0000 | |
| 458 | E | B | -2.1371 | |
| 459 | E | B | -1.7408 | |
| 460 | L | B | 0.0000 | |
| 461 | A | B | -1.0989 | |
| 462 | H | B | -0.9985 | |
| 463 | L | B | 0.0000 | |
| 464 | A | B | -0.8728 | |
| 465 | D | B | -1.4991 | |
| 466 | L | B | 0.0000 | |
| 467 | K | B | -2.0868 | |
| 468 | F | B | -0.9102 | |
| 469 | V | B | 0.0000 | |
| 470 | T | B | -1.4283 | |
| 471 | R | B | -2.1294 | |
| 1 | A | C | -1.5698 | |
| 2 | K | C | -2.6185 | |
| 3 | F | C | 0.0000 | |
| 4 | P | C | -2.1530 | |
| 5 | K | C | -2.8509 | |
| 6 | N | C | -2.4880 | |
| 7 | F | C | 0.0000 | |
| 8 | M | C | -1.1256 | |
| 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 | -1.3386 | |
| 22 | L | C | -0.5927 | |
| 23 | P | C | -0.8593 | |
| 24 | G | C | -1.0262 | |
| 25 | S | C | 0.0000 | |
| 26 | E | C | -2.4175 | |
| 27 | V | C | -1.5473 | |
| 28 | E | C | -1.8879 | |
| 29 | S | C | 0.0000 | |
| 30 | D | C | 0.0000 | |
| 31 | W | C | 0.0000 | |
| 32 | W | C | -0.3096 | |
| 33 | V | C | -0.0292 | |
| 34 | W | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | H | C | -0.6767 | |
| 37 | D | C | 0.0000 | |
| 38 | K | C | -1.5195 | |
| 39 | E | C | -0.6386 | |
| 40 | N | C | 0.0000 | |
| 41 | I | C | -0.2345 | |
| 42 | A | C | -0.2019 | |
| 43 | S | C | 0.0000 | |
| 44 | G | C | -0.7165 | |
| 45 | L | C | -0.5456 | |
| 46 | V | C | 0.0000 | |
| 47 | S | C | -0.9049 | |
| 48 | G | C | -0.8122 | |
| 49 | D | C | -1.2059 | |
| 50 | L | C | -0.5295 | |
| 51 | P | C | 0.0000 | |
| 52 | E | C | -2.0893 | |
| 53 | N | C | -1.9223 | |
| 54 | G | C | 0.0000 | |
| 55 | P | C | 0.0000 | |
| 56 | A | C | 0.0000 | |
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| 59 | H | C | -0.5430 | |
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| 71 | L | C | 0.0000 | |
| 72 | G | C | -1.1693 | |
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| 101 | E | C | -3.3744 | |
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| 106 | I | C | 1.1049 | |
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| 110 | V | C | 0.0000 | |
| 111 | P | C | -1.8960 | |
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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 | -2.1012 | |
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| 140 | R | C | -2.4504 | |
| 141 | G | C | -1.8689 | |
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| 143 | T | C | -0.5839 | |
| 144 | F | C | 0.0000 | |
| 145 | I | C | 0.0000 | |
| 146 | L | C | 0.0000 | |
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| 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 | |
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| 160 | P | C | 0.0000 | |
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| 163 | V | C | 0.0000 | |
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| 165 | K | C | -0.8291 | |
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| 168 | P | C | -1.5704 | |
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| 179 | K | C | -2.4937 | |
| 180 | T | C | 0.0000 | |
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| 183 | E | C | 0.0000 | |
| 184 | F | 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 | -0.5809 | |
| 194 | H | C | -0.8227 | |
| 195 | L | C | 0.0000 | |
| 196 | D | C | -2.0995 | |
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| 198 | L | C | 0.0000 | |
| 199 | V | C | 0.0000 | |
| 200 | D | C | -1.0948 | |
| 201 | M | C | -0.5485 | |
| 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 | -0.1828 | |
| 208 | P | C | 0.0000 | |
| 209 | N | C | -0.2632 | |
| 210 | V | C | 0.0772 | |
| 211 | V | C | 0.0000 | |
| 212 | Y | C | 0.0000 | |
| 213 | N | C | -0.6319 | |
| 214 | Q | C | -0.5217 | |
| 215 | G | C | 0.0000 | |
| 216 | Y | C | 0.0000 | |
| 217 | I | C | -0.3482 | |
| 218 | N | C | -0.5841 | |
| 219 | L | C | 0.0000 | |
| 220 | R | C | -1.4717 | |
| 221 | S | C | -1.0079 | |
| 222 | G | C | -0.4599 | |
| 223 | F | C | 0.0000 | |
| 224 | P | C | 0.0000 | |
| 225 | P | C | 0.0000 | |
| 226 | G | C | -0.2066 | |
| 227 | Y | C | -0.0715 | |
| 228 | L | C | 0.0000 | |
| 229 | S | C | -0.9083 | |
| 230 | F | C | -1.1499 | |
| 231 | E | C | -2.5270 | |
| 232 | A | C | 0.0000 | |
| 233 | A | C | 0.0000 | |
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| 235 | K | C | -2.7170 | |
| 236 | A | C | 0.0000 | |
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| 238 | F | C | -0.8725 | |
| 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 | |
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| 249 | D | C | -1.6186 | |
| 250 | A | C | 0.0000 | |
| 251 | I | C | 0.0000 | |
| 252 | K | C | -2.2448 | |
| 253 | E | C | -2.6444 | |
| 254 | Y | C | -1.4204 | |
| 255 | S | C | 0.0000 | |
| 256 | E | C | -2.7099 | |
| 257 | K | C | -1.8151 | |
| 258 | S | C | -0.9769 | |
| 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 | -0.0848 | |
| 265 | F | C | 0.0000 | |
| 266 | A | C | 0.0205 | |
| 267 | W | C | 0.0000 | |
| 268 | H | C | 0.0000 | |
| 269 | D | C | -0.6851 | |
| 270 | P | C | -1.6778 | |
| 271 | L | C | -0.2213 | |
| 272 | A | C | -1.4499 | |
| 273 | E | C | -3.3477 | |
| 274 | E | C | -3.5482 | |
| 275 | Y | C | -3.0644 | |
| 276 | K | C | -4.6473 | |
| 277 | D | C | -4.8829 | |
| 278 | E | C | -4.5298 | |
| 279 | V | C | 0.0000 | |
| 280 | E | C | -4.6485 | |
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| 282 | I | C | -3.2391 | |
| 283 | R | C | -3.4633 | |
| 284 | K | C | -4.3274 | |
| 285 | K | C | -4.0975 | |
| 286 | D | C | -2.9866 | |
| 287 | Y | C | 0.0000 | |
| 288 | E | C | -2.9188 | |
| 289 | F | C | 0.0000 | |
| 290 | V | C | 0.0000 | |
| 291 | T | C | -1.3921 | |
| 292 | I | C | -0.5280 | |
| 293 | L | C | 0.0000 | |
| 294 | H | C | -1.0605 | |
| 295 | S | C | -0.8905 | |
| 296 | K | C | -1.4401 | |
| 297 | G | C | -1.2673 | |
| 298 | K | C | -0.9834 | |
| 299 | L | C | 0.0000 | |
| 300 | D | C | -0.6164 | |
| 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 | 0.3824 | |
| 308 | S | C | 0.0000 | |
| 309 | R | C | 0.1570 | |
| 310 | L | C | 0.5185 | |
| 311 | V | C | 0.0000 | |
| 312 | Y | C | -0.0579 | |
| 313 | G | C | 0.0000 | |
| 314 | A | C | -1.4404 | |
| 315 | K | C | -2.4388 | |
| 316 | D | C | -2.9045 | |
| 317 | G | C | -2.3507 | |
| 318 | H | C | -1.8441 | |
| 319 | L | C | -0.7939 | |
| 320 | V | C | -0.2324 | |
| 321 | P | C | 0.2957 | |
| 322 | L | C | 0.2459 | |
| 323 | P | C | -0.3049 | |
| 324 | G | C | -0.8413 | |
| 325 | Y | C | -0.3436 | |
| 326 | G | C | 0.0000 | |
| 327 | F | C | 0.8048 | |
| 328 | M | C | 0.1278 | |
| 329 | S | C | 0.0000 | |
| 330 | E | C | -2.7233 | |
| 331 | R | C | -2.6081 | |
| 332 | G | C | -1.5129 | |
| 333 | G | C | -1.3968 | |
| 334 | F | C | -1.2159 | |
| 335 | A | C | 0.0000 | |
| 336 | K | C | -2.2105 | |
| 337 | S | C | -1.2453 | |
| 338 | G | C | 0.0000 | |
| 339 | R | C | -1.0404 | |
| 340 | P | C | 0.0000 | |
| 341 | A | C | 0.0000 | |
| 342 | S | C | 0.0000 | |
| 343 | D | C | -1.2228 | |
| 344 | F | C | -0.5365 | |
| 345 | G | C | 0.0000 | |
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| 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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| 356 | L | C | 0.0000 | |
| 357 | L | C | 0.0000 | |
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| 359 | Y | C | -1.1260 | |
| 360 | L | C | 0.0000 | |
| 361 | N | C | -2.1304 | |
| 362 | N | C | -1.9078 | |
| 363 | A | C | -1.3377 | |
| 364 | Y | C | 0.0000 | |
| 365 | E | C | -2.2543 | |
| 366 | L | C | -1.1408 | |
| 367 | P | C | -1.0682 | |
| 368 | M | C | 0.0000 | |
| 369 | I | C | 0.0000 | |
| 370 | I | C | 0.0000 | |
| 371 | T | C | 0.0000 | |
| 372 | E | C | -0.1315 | |
| 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 | -0.2293 | |
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| 380 | D | C | 0.0000 | |
| 381 | R | C | -0.4343 | |
| 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 | -1.1167 | |
| 393 | A | C | 0.0000 | |
| 394 | V | C | 0.0000 | |
| 395 | Y | C | -1.1017 | |
| 396 | N | C | -1.6892 | |
| 397 | A | C | 0.0000 | |
| 398 | M | C | -1.8606 | |
| 399 | K | C | -2.7712 | |
| 400 | E | C | -3.1080 | |
| 401 | G | C | -2.2856 | |
| 402 | A | C | 0.0000 | |
| 403 | D | C | -1.9168 | |
| 404 | V | C | 0.0000 | |
| 405 | R | C | -1.9652 | |
| 406 | G | C | 0.0000 | |
| 407 | Y | C | 0.0000 | |
| 408 | L | C | 0.0000 | |
| 409 | H | C | 0.0000 | |
| 410 | W | C | 0.0632 | |
| 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 | -0.8287 | |
| 418 | W | C | -0.3218 | |
| 419 | A | C | -0.5883 | |
| 420 | Q | C | -1.4245 | |
| 421 | G | C | 0.0000 | |
| 422 | F | C | -1.1128 | |
| 423 | R | C | -2.0331 | |
| 424 | M | C | -0.9835 | |
| 425 | R | C | -0.6494 | |
| 426 | F | C | 0.0000 | |
| 427 | G | C | 0.0000 | |
| 428 | L | C | 0.0000 | |
| 429 | V | C | 0.0000 | |
| 430 | Y | C | -0.3303 | |
| 431 | V | C | 0.0000 | |
| 432 | D | C | -1.6313 | |
| 433 | F | C | -1.7682 | |
| 434 | E | C | -2.4122 | |
| 435 | T | C | -1.7162 | |
| 436 | K | C | -1.6590 | |
| 437 | K | C | -2.4073 | |
| 438 | R | C | -1.5064 | |
| 439 | Y | C | -0.9587 | |
| 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 | -0.8295 | |
| 449 | E | C | -0.7585 | |
| 450 | I | C | 0.0000 | |
| 451 | A | C | 0.0000 | |
| 452 | T | C | -1.1126 | |
| 453 | Q | C | -1.8085 | |
| 454 | K | C | -2.1237 | |
| 455 | E | C | -2.2810 | |
| 456 | I | C | 0.0000 | |
| 457 | P | C | 0.0000 | |
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| 460 | L | C | 0.0000 | |
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| 463 | L | C | 0.0000 | |
| 464 | A | C | -1.4247 | |
| 465 | D | C | -1.7478 | |
| 466 | L | C | 0.0000 | |
| 467 | K | C | -2.0311 | |
| 468 | F | C | -0.6602 | |
| 469 | V | C | -0.7915 | |
| 470 | T | C | -1.3981 | |
| 471 | R | C | -2.1647 | |
| 1 | A | D | -0.8329 | |
| 2 | K | D | -2.1299 | |
| 3 | F | D | 0.0000 | |
| 4 | P | D | -1.9400 | |
| 5 | K | D | -2.8000 | |
| 6 | N | D | -2.4903 | |
| 7 | F | D | 0.0000 | |
| 8 | M | D | 0.0000 | |
| 9 | F | D | 0.0000 | |
| 10 | G | D | 0.0000 | |
| 11 | Y | D | 0.0000 | |
| 12 | S | D | 0.0000 | |
| 13 | W | D | 0.0000 | |
| 14 | S | D | 0.0000 | |
| 15 | G | D | 0.0000 | |
| 16 | F | D | 0.0000 | |
| 17 | Q | D | 0.0000 | |
| 18 | F | D | 0.0000 | |
| 19 | E | D | 0.0000 | |
| 20 | M | D | 0.0000 | |
| 21 | G | D | 0.0000 | |
| 22 | L | D | -0.5463 | |
| 23 | P | D | -0.7922 | |
| 24 | G | D | -0.9534 | |
| 25 | S | D | 0.0000 | |
| 26 | E | D | -1.8910 | |
| 27 | V | D | -1.3593 | |
| 28 | E | D | -1.8345 | |
| 29 | S | D | 0.0000 | |
| 30 | D | D | 0.0000 | |
| 31 | W | D | 0.0000 | |
| 32 | W | D | -0.2227 | |
| 33 | V | D | -0.1507 | |
| 34 | W | D | 0.0000 | |
| 35 | V | D | 0.0000 | |
| 36 | H | D | -0.6212 | |
| 37 | D | D | -0.9575 | |
| 38 | K | D | -1.7745 | |
| 39 | E | D | -0.8766 | |
| 40 | N | D | 0.0000 | |
| 41 | I | D | -0.3972 | |
| 42 | A | D | -0.3243 | |
| 43 | S | D | 0.0000 | |
| 44 | G | D | -0.4673 | |
| 45 | L | D | 0.0000 | |
| 46 | V | D | 0.0000 | |
| 47 | S | D | -0.5788 | |
| 48 | G | D | -0.8269 | |
| 49 | D | D | -1.1263 | |
| 50 | L | D | -0.2411 | |
| 51 | P | D | 0.0000 | |
| 52 | E | D | -1.3893 | |
| 53 | N | D | -1.3718 | |
| 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 | -0.5108 | |
| 60 | L | D | -0.5594 | |
| 61 | Y | D | -1.2049 | |
| 62 | K | D | -2.5046 | |
| 63 | Q | D | -2.2958 | |
| 64 | D | D | 0.0000 | |
| 65 | H | D | -2.2242 | |
| 66 | D | D | -2.8366 | |
| 67 | I | D | 0.0000 | |
| 68 | A | D | 0.0000 | |
| 69 | E | D | -2.0326 | |
| 70 | K | D | -1.7380 | |
| 71 | L | D | 0.0000 | |
| 72 | G | D | -1.4797 | |
| 73 | M | D | 0.0000 | |
| 74 | D | D | -1.5588 | |
| 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 | -1.3494 | |
| 88 | K | D | -1.6981 | |
| 89 | P | D | -0.8795 | |
| 90 | T | D | 0.0000 | |
| 91 | F | D | -0.7558 | |
| 92 | D | D | -1.9703 | |
| 93 | V | D | 0.0000 | |
| 94 | K | D | -2.5671 | |
| 95 | V | D | -2.0378 | |
| 96 | D | D | -3.0348 | |
| 97 | V | D | -1.8661 | |
| 98 | E | D | -2.5765 | |
| 99 | K | D | -2.8702 | |
| 100 | D | D | -3.1113 | |
| 101 | E | D | -3.6064 | |
| 102 | E | D | -3.3594 | |
| 103 | G | D | -2.6003 | |
| 104 | N | D | -1.5510 | |
| 105 | I | D | 0.0000 | |
| 106 | I | D | 0.7468 | |
| 107 | S | D | -0.6064 | |
| 108 | V | D | -1.4628 | |
| 109 | D | D | -3.0404 | |
| 110 | V | D | -1.9290 | |
| 111 | P | D | -2.1061 | |
| 112 | E | D | -2.5629 | |
| 113 | S | D | -2.1689 | |
| 114 | T | D | 0.0000 | |
| 115 | I | D | 0.0000 | |
| 116 | K | D | -3.2708 | |
| 117 | E | D | -3.2222 | |
| 118 | L | D | 0.0000 | |
| 119 | E | D | -2.5038 | |
| 120 | K | D | -2.7169 | |
| 121 | I | D | -1.7360 | |
| 122 | A | D | -1.5651 | |
| 123 | N | D | -1.4230 | |
| 124 | M | D | -1.2971 | |
| 125 | E | D | -2.3662 | |
| 126 | A | D | 0.0000 | |
| 127 | L | D | -1.6547 | |
| 128 | E | D | -2.8940 | |
| 129 | H | D | -2.1628 | |
| 130 | Y | D | 0.0000 | |
| 131 | R | D | -2.0803 | |
| 132 | K | D | -2.4984 | |
| 133 | I | D | 0.0000 | |
| 134 | Y | D | 0.0000 | |
| 135 | S | D | -2.8436 | |
| 136 | D | D | -3.0400 | |
| 137 | W | D | 0.0000 | |
| 138 | K | D | -4.0052 | |
| 139 | E | D | -4.1019 | |
| 140 | R | D | -3.8075 | |
| 141 | G | D | -3.0527 | |
| 142 | K | D | -2.3642 | |
| 143 | T | D | -1.2949 | |
| 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 | 0.1591 | |
| 152 | P | D | 0.0000 | |
| 153 | L | D | 0.0000 | |
| 154 | P | D | 0.0000 | |
| 155 | L | D | -0.2661 | |
| 156 | W | D | -0.3010 | |
| 157 | I | D | 0.0000 | |
| 158 | H | D | 0.0000 | |
| 159 | D | D | 0.0196 | |
| 160 | P | D | 0.0000 | |
| 161 | I | D | 0.0204 | |
| 162 | A | D | -0.3058 | |
| 163 | V | D | 0.0000 | |
| 164 | R | D | -0.3601 | |
| 165 | K | D | -0.5757 | |
| 166 | L | D | -0.1261 | |
| 167 | G | D | -0.9752 | |
| 168 | P | D | -1.5486 | |
| 169 | D | D | -2.6124 | |
| 170 | R | D | -2.5918 | |
| 171 | A | D | 0.0000 | |
| 172 | P | D | -0.6939 | |
| 173 | A | D | 0.0000 | |
| 174 | G | D | 0.0000 | |
| 175 | W | D | 0.0000 | |
| 176 | L | D | -1.3446 | |
| 177 | D | D | -2.0195 | |
| 178 | E | D | -2.6846 | |
| 179 | K | D | -2.4546 | |
| 180 | T | D | 0.0000 | |
| 181 | V | D | 0.0000 | |
| 182 | V | D | -0.8466 | |
| 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 | 0.6359 | |
| 194 | H | D | -0.1121 | |
| 195 | L | D | 0.0000 | |
| 196 | D | D | -1.7678 | |
| 197 | D | D | -2.3882 | |
| 198 | L | D | 0.0000 | |
| 199 | V | D | 0.0000 | |
| 200 | D | D | -1.7432 | |
| 201 | M | D | -0.6584 | |
| 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 | -0.1060 | |
| 208 | P | D | 0.0000 | |
| 209 | N | D | -0.3814 | |
| 210 | V | D | 0.0490 | |
| 211 | V | D | 0.0972 | |
| 212 | Y | D | 0.0000 | |
| 213 | N | D | -0.5726 | |
| 214 | Q | D | -0.6605 | |
| 215 | G | D | 0.0000 | |
| 216 | Y | D | 0.0000 | |
| 217 | I | D | 0.0000 | |
| 218 | N | D | -0.8221 | |
| 219 | L | D | -1.0869 | |
| 220 | R | D | -2.1102 | |
| 221 | S | D | -1.0502 | |
| 222 | G | D | 0.0000 | |
| 223 | F | D | -0.1144 | |
| 224 | P | D | 0.0853 | |
| 225 | P | D | 0.0000 | |
| 226 | G | D | -0.1870 | |
| 227 | Y | D | -0.1608 | |
| 228 | L | D | 0.0000 | |
| 229 | S | D | -1.0022 | |
| 230 | F | D | -1.0206 | |
| 231 | E | D | -2.2847 | |
| 232 | A | D | 0.0000 | |
| 233 | A | D | 0.0000 | |
| 234 | E | D | -2.6201 | |
| 235 | K | D | -2.2265 | |
| 236 | A | D | 0.0000 | |
| 237 | K | D | -1.2206 | |
| 238 | F | D | -0.5858 | |
| 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 | -0.4865 | |
| 249 | D | D | -0.8976 | |
| 250 | A | D | 0.0000 | |
| 251 | I | D | 0.0000 | |
| 252 | K | D | -1.9828 | |
| 253 | E | D | -2.3058 | |
| 254 | Y | D | -0.9293 | |
| 255 | S | D | 0.0000 | |
| 256 | E | D | -2.6908 | |
| 257 | K | D | -1.9417 | |
| 258 | S | D | -1.0984 | |
| 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 | -0.1542 | |
| 265 | F | D | 0.0000 | |
| 266 | A | D | -0.0455 | |
| 267 | W | D | -0.2635 | |
| 268 | H | D | 0.0000 | |
| 269 | D | D | -0.5113 | |
| 270 | P | D | -1.3049 | |
| 271 | L | D | 0.3075 | |
| 272 | A | D | -1.0558 | |
| 273 | E | D | -3.0457 | |
| 274 | E | D | -3.3385 | |
| 275 | Y | D | -3.0394 | |
| 276 | K | D | -4.1361 | |
| 277 | D | D | -4.7044 | |
| 278 | E | D | -4.5209 | |
| 279 | V | D | 0.0000 | |
| 280 | E | D | -4.6184 | |
| 281 | E | D | -4.6121 | |
| 282 | I | D | -3.1638 | |
| 283 | R | D | 0.0000 | |
| 284 | K | D | -3.8032 | |
| 285 | K | D | -3.7252 | |
| 286 | D | D | -2.9812 | |
| 287 | Y | D | 0.0000 | |
| 288 | E | D | -2.1847 | |
| 289 | F | D | 0.0000 | |
| 290 | V | D | 0.0000 | |
| 291 | T | D | -1.0811 | |
| 292 | I | D | -0.3843 | |
| 293 | L | D | 0.0000 | |
| 294 | H | D | -1.1980 | |
| 295 | S | D | -0.9104 | |
| 296 | K | D | -1.3980 | |
| 297 | G | D | -1.2842 | |
| 298 | K | D | -1.0120 | |
| 299 | L | D | 0.0000 | |
| 300 | D | D | -0.6751 | |
| 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 | 0.2769 | |
| 308 | S | D | 0.0000 | |
| 309 | R | D | 0.1387 | |
| 310 | L | D | 0.5408 | |
| 311 | V | D | 0.0000 | |
| 312 | Y | D | 0.0000 | |
| 313 | G | D | 0.0000 | |
| 314 | A | D | -1.2951 | |
| 315 | K | D | -2.7501 | |
| 316 | D | D | -2.9833 | |
| 317 | G | D | -2.4779 | |
| 318 | H | D | -2.1838 | |
| 319 | L | D | -1.1584 | |
| 320 | V | D | -0.3798 | |
| 321 | P | D | 0.3198 | |
| 322 | L | D | 0.4095 | |
| 323 | P | D | -0.2810 | |
| 324 | G | D | -0.6910 | |
| 325 | Y | D | -0.2000 | |
| 326 | G | D | 0.0000 | |
| 327 | F | D | 0.6844 | |
| 328 | M | D | 0.1876 | |
| 329 | S | D | -1.1542 | |
| 330 | E | D | -2.7071 | |
| 331 | R | D | -2.6891 | |
| 332 | G | D | -1.6411 | |
| 333 | G | D | -1.4908 | |
| 334 | F | D | -1.1521 | |
| 335 | A | D | 0.0000 | |
| 336 | K | D | -1.9815 | |
| 337 | S | D | -1.2750 | |
| 338 | G | D | -1.2634 | |
| 339 | R | D | -0.8849 | |
| 340 | P | D | 0.0000 | |
| 341 | A | D | 0.0000 | |
| 342 | S | D | 0.0000 | |
| 343 | D | D | -1.5960 | |
| 344 | F | D | -0.5433 | |
| 345 | G | D | 0.0000 | |
| 346 | W | D | 0.0699 | |
| 347 | E | D | 0.0000 | |
| 348 | M | D | 0.0000 | |
| 349 | Y | D | -0.0577 | |
| 350 | P | D | 0.0000 | |
| 351 | E | D | -1.3162 | |
| 352 | G | D | 0.0000 | |
| 353 | L | D | 0.0000 | |
| 354 | E | D | -1.8493 | |
| 355 | N | D | -1.7947 | |
| 356 | L | D | 0.0000 | |
| 357 | L | D | 0.0000 | |
| 358 | K | D | -2.2234 | |
| 359 | Y | D | -1.1334 | |
| 360 | L | D | 0.0000 | |
| 361 | N | D | -2.2155 | |
| 362 | N | D | -1.9558 | |
| 363 | A | D | -1.1648 | |
| 364 | Y | D | 0.0000 | |
| 365 | E | D | -2.4695 | |
| 366 | L | D | -1.3859 | |
| 367 | P | D | -1.3254 | |
| 368 | M | D | 0.0000 | |
| 369 | I | D | 0.0000 | |
| 370 | I | D | 0.0000 | |
| 371 | T | D | 0.0000 | |
| 372 | E | D | -0.1183 | |
| 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 | -0.3603 | |
| 379 | A | D | -0.1771 | |
| 380 | D | D | 0.0000 | |
| 381 | R | D | -0.4955 | |
| 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 | -0.9441 | |
| 393 | A | D | 0.0000 | |
| 394 | V | D | 0.0000 | |
| 395 | Y | D | -1.2746 | |
| 396 | N | D | -1.9249 | |
| 397 | A | D | 0.0000 | |
| 398 | M | D | -2.3872 | |
| 399 | K | D | -2.9366 | |
| 400 | E | D | -3.2646 | |
| 401 | G | D | -2.5944 | |
| 402 | A | D | 0.0000 | |
| 403 | D | D | -2.8520 | |
| 404 | V | D | 0.0000 | |
| 405 | R | D | -2.2017 | |
| 406 | G | D | 0.0000 | |
| 407 | Y | D | 0.0000 | |
| 408 | L | D | 0.0000 | |
| 409 | H | D | 0.0000 | |
| 410 | W | D | 0.1151 | |
| 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 | -0.7095 | |
| 418 | W | D | 0.0000 | |
| 419 | A | D | 0.0000 | |
| 420 | Q | D | -1.0116 | |
| 421 | G | D | 0.0000 | |
| 422 | F | D | -0.7742 | |
| 423 | R | D | -1.8868 | |
| 424 | M | D | -0.7621 | |
| 425 | R | D | 0.0000 | |
| 426 | F | D | 0.1553 | |
| 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 | -1.6977 | |
| 433 | F | D | 0.0000 | |
| 434 | E | D | -2.4847 | |
| 435 | T | D | -1.7760 | |
| 436 | K | D | 0.0000 | |
| 437 | K | D | -2.4122 | |
| 438 | R | D | -1.5413 | |
| 439 | Y | D | -0.9839 | |
| 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 | -0.5032 | |
| 448 | R | D | -1.6154 | |
| 449 | E | D | -1.1298 | |
| 450 | I | D | 0.0000 | |
| 451 | A | D | -1.0216 | |
| 452 | T | D | -0.9879 | |
| 453 | Q | D | -1.3388 | |
| 454 | K | D | -1.5588 | |
| 455 | E | D | -1.7541 | |
| 456 | I | D | -1.1742 | |
| 457 | P | D | 0.0000 | |
| 458 | E | D | -2.1206 | |
| 459 | E | D | -1.5425 | |
| 460 | L | D | 0.0000 | |
| 461 | A | D | -1.1615 | |
| 462 | H | D | -1.1818 | |
| 463 | L | D | 0.0000 | |
| 464 | A | D | -0.8681 | |
| 465 | D | D | -1.3512 | |
| 466 | L | D | 0.0000 | |
| 467 | K | D | -1.8426 | |
| 468 | F | D | -0.3944 | |
| 469 | V | D | -0.6211 | |
| 470 | T | D | -1.3415 | |
| 471 | R | D | -2.0388 |
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 | -0.662 | 2.8509 | View | CSV | PDB |
| 4.5 | -0.7397 | 2.8174 | View | CSV | PDB |
| 5.0 | -0.8372 | 2.7669 | View | CSV | PDB |
| 5.5 | -0.9365 | 2.7078 | View | CSV | PDB |
| 6.0 | -1.0175 | 2.6493 | View | CSV | PDB |
| 6.5 | -1.0639 | 2.6008 | View | CSV | PDB |
| 7.0 | -1.0729 | 2.5699 | View | CSV | PDB |
| 7.5 | -1.0549 | 2.5553 | View | CSV | PDB |
| 8.0 | -1.0219 | 2.5499 | View | CSV | PDB |
| 8.5 | -0.9791 | 2.548 | View | CSV | PDB |
| 9.0 | -0.9277 | 2.5473 | 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