| Chain sequence(s) |
A: ETSYIEDNQNGAISLIFSLKEEVGALAKVLRLFEENDVNLTHIESRPSRLKKDEYEFFTHLDKRSLPALTNIIKILRHDIGATVHELSRDKKKDTVPWFPRTIQELDRFANQILLDADHPGFKDPVYRARRKQFADIAYNYRHGQPIPRVEYMEEEKKTWGTVFKTLKSLYKTHACYEYNHIFPLLEKYCGFHEDNIPQLEDVSQFLQTCTGFRLRPVAGLLSSRDFLGGLAFRVFHCTQYIRHGSKPMYTPEPDICHELLGHVPLFSDRSFAQFSQEIGLASLGAPDEYIEKLATIYWFTVEFGLCKQGDSIKAYGAGLLSSFGELQYCLSEKPKLLPLELEKTAIQNYTVTEFQPLYYVAESFNDAKEKVRNFAATIPRPFSVRYDPYTQRIEVLDNTQQLKILADSINSEIGILCS
C: TSYIEDNSNQNGAISLIFSLKEEVGALAKVLRLFEENDVNLTHIESRPSRLKKDEYEFFTHLDKRSLPALTNIIKILRHDIGATVHELSRDKKKDTVPWFPRTIQELDRFANQILELDADHPGFKDPVYRARRKQFADIAYNYRHGQPIPRVEYMEEEKKTWGTVFKTLKSLYKTHACYEYNHIFPLLEKYCGFHEDNIPQLEDVSQFLQTCTGFRLRPVAGLLSSRDFLGGLAFRVFHCTQYIRHGSKPMYTPEPDICHELLGHVPLFSDRSFAQFSQEIGLASLGAPDEYIEKLATIYWFTVEFGLCKQGDSIKAYGAGLLSSFGELQYCLSEKPKLLPLELEKTAIQNYTVTEFQPLYYVAESFNDAKEKVRNFAATIPRPFSVRYDPYTQRIEVLDNTQQLKILADSINSEIGILCSAL B: QETSYIEDNSNGAISLIFSLKEEVGALAKVLRLFEENDVNLTHIESRPSRLKKDEYEFFTHLRSLPALTNIIKILRHDITVHELSRDKKKDTVPWFPRTIQELDRFANQILSELDADHPGFKDPVYRARRKQFADIAYNYRHGQPIPRVEYMEEEKKTWGTVFKTLKSLYKTHACYEYNHIFPLLEKYCGFHEDNIPQLEDVSQFLQTCTGFRLRPVAGLLSSRDFLGGLAFRVFHCTQYIRHGSKPMYTPEPDICHELLGHVPLFSDRSFAQFSQEIGLASLGAPDEYIEKLATIYWFTVEFGLCKQGDSIKAYGAGLLSSFGELQYCLSEKPKLLPLELEKTAIQNYTVTEFQPLYYVAESFNDAKEKVRNFAATIPRPFSVRYDPYTQRIEVLDNTQQLKILADSINSEIGILCSAL D: QETSYIEDNSGAISLIFSLKEEVGALAKVLRLFEENDTHIESRPSRLKKDEYEFFTHLDKRSLPALTNIIKILRHDITVHELSRDKKKDTVPWFPRTIQELDRFANQIELDADHPGFKDPVYRARRKQFADIAYNYRHGQPIPRVEYMEEEKKTWGTVFKTLKSLYKTHACYEYNHIFPLLEKYCGFHEDNIPQLEDVSQFLQTCTGFRLRPVAGLLSSRDFLGGLAFRVFHCTQYIRHGSKPMYTPEPDICHELLGHVPLFSDRSFAQFSQEIGLASLGAPDEYIEKLATIYWFTVEFGLCKQGDSIKAYGAGLLSSFGELQYCLSEKPKLLPLELEKTAIQNYTVTEFQPLYYVAESFNDAKEKVRNFAATIPRPFSVRYDPYTQRIEVLDNTQQLKILADSINSEIGILCS 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] (00:00:02)
[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. (00:00:18)
[INFO] FoldX: Starting FoldX energy minimization (00:00:19)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (01:10:19)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2be860ab63a5431/tmp/folded.pdb (01:10:19)
[INFO] Main: Simulation completed successfully. (01:42:00)
|
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 |
|---|---|---|---|---|
| 21 | E | A | -1.7968 | |
| 22 | T | A | -0.9390 | |
| 23 | S | A | -0.3502 | |
| 24 | Y | A | -0.7077 | |
| 25 | I | A | -0.6475 | |
| 26 | E | A | -2.2263 | |
| 27 | D | A | -2.0143 | |
| 28 | N | A | -1.9578 | |
| 31 | Q | A | -2.2182 | |
| 32 | N | A | -2.6600 | |
| 33 | G | A | -2.3799 | |
| 34 | A | A | -1.8954 | |
| 35 | I | A | 0.0000 | |
| 36 | S | A | 0.0000 | |
| 37 | L | A | 0.0000 | |
| 38 | I | A | 0.0000 | |
| 39 | F | A | 0.0000 | |
| 40 | S | A | -0.7454 | |
| 41 | L | A | 0.0000 | |
| 42 | K | A | -2.6581 | |
| 43 | E | A | -2.0186 | |
| 44 | E | A | -1.8361 | |
| 45 | V | A | 0.2011 | |
| 46 | G | A | -0.6728 | |
| 47 | A | A | 0.0000 | |
| 48 | L | A | 0.0000 | |
| 49 | A | A | -1.2048 | |
| 50 | K | A | -1.8830 | |
| 51 | V | A | 0.0000 | |
| 52 | L | A | -2.0187 | |
| 53 | R | A | -3.5019 | |
| 54 | L | A | -2.3501 | |
| 55 | F | A | 0.0000 | |
| 56 | E | A | -4.1592 | |
| 57 | E | A | -3.9396 | |
| 58 | N | A | -3.1542 | |
| 59 | D | A | -3.4509 | |
| 60 | V | A | -2.5370 | |
| 61 | N | A | -2.2929 | |
| 62 | L | A | -1.2066 | |
| 63 | T | A | -0.5258 | |
| 64 | H | A | -0.7840 | |
| 65 | I | A | 0.0000 | |
| 66 | E | A | 0.0000 | |
| 67 | S | A | 0.0000 | |
| 68 | R | A | -0.2429 | |
| 69 | P | A | -0.6839 | |
| 70 | S | A | -0.9491 | |
| 71 | R | A | -0.6570 | |
| 72 | L | A | -0.4424 | |
| 73 | K | A | -1.2903 | |
| 74 | K | A | -2.1547 | |
| 75 | D | A | -2.0361 | |
| 76 | E | A | -1.9294 | |
| 77 | Y | A | 0.0000 | |
| 78 | E | A | 0.0000 | |
| 79 | F | A | 0.0000 | |
| 80 | F | A | 0.0000 | |
| 81 | T | A | 0.0000 | |
| 82 | H | A | -0.5686 | |
| 83 | L | A | -1.2439 | |
| 84 | D | A | -2.7005 | |
| 85 | K | A | -3.2073 | |
| 86 | R | A | -3.1930 | |
| 87 | S | A | -1.8354 | |
| 88 | L | A | 0.0000 | |
| 89 | P | A | -1.0001 | |
| 90 | A | A | -1.2732 | |
| 91 | L | A | 0.0000 | |
| 92 | T | A | -1.0158 | |
| 93 | N | A | -1.7141 | |
| 94 | I | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | K | A | -2.5764 | |
| 97 | I | A | -1.6617 | |
| 98 | L | A | 0.0000 | |
| 99 | R | A | -2.3417 | |
| 100 | H | A | -2.5882 | |
| 101 | D | A | -2.4785 | |
| 102 | I | A | -1.1762 | |
| 103 | G | A | -1.4092 | |
| 104 | A | A | -1.0362 | |
| 105 | T | A | -0.7839 | |
| 106 | V | A | 0.0000 | |
| 107 | H | A | -0.6365 | |
| 108 | E | A | -0.8110 | |
| 109 | L | A | 0.0000 | |
| 110 | S | A | 0.0000 | |
| 111 | R | A | 0.0000 | |
| 112 | D | A | -3.4423 | |
| 113 | K | A | -3.6768 | |
| 114 | K | A | -3.4186 | |
| 115 | K | A | -3.6079 | |
| 116 | D | A | -3.0905 | |
| 117 | T | A | -2.3061 | |
| 118 | V | A | -1.2384 | |
| 119 | P | A | -1.0756 | |
| 120 | W | A | 0.0000 | |
| 121 | F | A | 0.0000 | |
| 122 | P | A | -0.4630 | |
| 123 | R | A | 0.0000 | |
| 124 | T | A | 0.0000 | |
| 125 | I | A | -0.6038 | |
| 126 | Q | A | -1.7645 | |
| 127 | E | A | 0.0000 | |
| 128 | L | A | 0.0000 | |
| 129 | D | A | -1.8288 | |
| 130 | R | A | -2.2603 | |
| 131 | F | A | -0.9227 | |
| 132 | A | A | 0.0000 | |
| 133 | N | A | -0.7127 | |
| 134 | Q | A | -0.4454 | |
| 135 | I | A | 0.8360 | |
| 136 | L | A | 1.5171 | |
| 142 | L | A | 0.0987 | |
| 143 | D | A | -1.5393 | |
| 144 | A | A | -1.1640 | |
| 145 | D | A | -2.0039 | |
| 146 | H | A | -0.9929 | |
| 147 | P | A | -0.8220 | |
| 148 | G | A | 0.0000 | |
| 149 | F | A | 0.4007 | |
| 150 | K | A | -1.2511 | |
| 151 | D | A | -0.4797 | |
| 152 | P | A | -0.2310 | |
| 153 | V | A | 1.0313 | |
| 154 | Y | A | -0.4660 | |
| 155 | R | A | -1.8067 | |
| 156 | A | A | -1.5178 | |
| 157 | R | A | -1.2775 | |
| 158 | R | A | -2.0782 | |
| 159 | K | A | -3.0745 | |
| 160 | Q | A | -2.5287 | |
| 161 | F | A | 0.0000 | |
| 162 | A | A | -1.7106 | |
| 163 | D | A | -2.1288 | |
| 164 | I | A | -1.3539 | |
| 165 | A | A | 0.0000 | |
| 166 | Y | A | -0.7359 | |
| 167 | N | A | -1.6926 | |
| 168 | Y | A | 0.0000 | |
| 169 | R | A | -2.1715 | |
| 170 | H | A | -1.5455 | |
| 171 | G | A | -1.5817 | |
| 172 | Q | A | -1.8245 | |
| 173 | P | A | -1.6329 | |
| 174 | I | A | 0.0000 | |
| 175 | P | A | -1.2575 | |
| 176 | R | A | -2.6394 | |
| 177 | V | A | 0.0000 | |
| 178 | E | A | -2.3539 | |
| 179 | Y | A | 0.0000 | |
| 180 | M | A | -1.8541 | |
| 181 | E | A | -3.6055 | |
| 182 | E | A | -3.3845 | |
| 183 | E | A | 0.0000 | |
| 184 | K | A | -3.1183 | |
| 185 | K | A | -3.5584 | |
| 186 | T | A | 0.0000 | |
| 187 | W | A | 0.0000 | |
| 188 | G | A | 0.0000 | |
| 189 | T | A | -1.3133 | |
| 190 | V | A | 0.0000 | |
| 191 | F | A | 0.0000 | |
| 192 | K | A | -2.0892 | |
| 193 | T | A | -0.6248 | |
| 194 | L | A | 0.0000 | |
| 195 | K | A | -1.6471 | |
| 196 | S | A | -1.0830 | |
| 197 | L | A | -0.8626 | |
| 198 | Y | A | 0.0000 | |
| 199 | K | A | -1.8714 | |
| 200 | T | A | -1.0135 | |
| 201 | H | A | -0.6167 | |
| 202 | A | A | 0.0000 | |
| 203 | C | A | 0.0000 | |
| 204 | Y | A | -0.2010 | |
| 205 | E | A | -0.2966 | |
| 206 | Y | A | 0.0000 | |
| 207 | N | A | -0.6562 | |
| 208 | H | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | F | A | 0.0000 | |
| 211 | P | A | -0.6684 | |
| 212 | L | A | 0.0000 | |
| 213 | L | A | 0.0000 | |
| 214 | E | A | -1.9306 | |
| 215 | K | A | -1.2501 | |
| 216 | Y | A | -0.7252 | |
| 217 | C | A | 0.0000 | |
| 218 | G | A | -1.6456 | |
| 219 | F | A | 0.0000 | |
| 220 | H | A | -2.6385 | |
| 221 | E | A | -2.9389 | |
| 222 | D | A | -3.4361 | |
| 223 | N | A | -2.3931 | |
| 224 | I | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | Q | A | -1.6746 | |
| 227 | L | A | 0.0000 | |
| 228 | E | A | -1.8860 | |
| 229 | D | A | -2.4999 | |
| 230 | V | A | 0.0000 | |
| 231 | S | A | 0.0000 | |
| 232 | Q | A | -1.7211 | |
| 233 | F | A | 0.0000 | |
| 234 | L | A | 0.0000 | |
| 235 | Q | A | -0.6770 | |
| 236 | T | A | -0.4700 | |
| 237 | C | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | G | A | -0.3512 | |
| 240 | F | A | 0.0000 | |
| 241 | R | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | R | A | 0.0000 | |
| 244 | P | A | 0.0000 | |
| 245 | V | A | 0.0000 | |
| 246 | A | A | -0.4733 | |
| 247 | G | A | 0.3861 | |
| 248 | L | A | 0.8417 | |
| 249 | L | A | 0.0000 | |
| 250 | S | A | 0.0000 | |
| 251 | S | A | 0.0000 | |
| 252 | R | A | 0.0000 | |
| 253 | D | A | -0.2423 | |
| 254 | F | A | 0.3253 | |
| 255 | L | A | 0.0000 | |
| 256 | G | A | 0.0000 | |
| 257 | G | A | 0.0000 | |
| 258 | L | A | 0.0000 | |
| 259 | A | A | 0.0000 | |
| 260 | F | A | 0.0000 | |
| 261 | R | A | 0.0000 | |
| 262 | V | A | 0.0000 | |
| 263 | F | A | 0.0000 | |
| 264 | H | A | 0.0000 | |
| 265 | C | A | 0.0000 | |
| 266 | T | A | 0.0000 | |
| 267 | Q | A | 0.0000 | |
| 268 | Y | A | 0.0000 | |
| 269 | I | A | 0.0000 | |
| 270 | R | A | 0.0000 | |
| 271 | H | A | -0.7412 | |
| 272 | G | A | -1.6626 | |
| 273 | S | A | -0.8409 | |
| 274 | K | A | -1.3608 | |
| 275 | P | A | -0.5773 | |
| 276 | M | A | 0.9070 | |
| 277 | Y | A | 1.0543 | |
| 278 | T | A | 0.1669 | |
| 279 | P | A | -0.2500 | |
| 280 | E | A | -0.2858 | |
| 281 | P | A | -0.2387 | |
| 282 | D | A | 0.0000 | |
| 283 | I | A | 0.0000 | |
| 284 | C | A | 0.0000 | |
| 285 | H | A | -0.2070 | |
| 286 | E | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | L | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | H | A | 0.0000 | |
| 291 | V | A | 0.0000 | |
| 292 | P | A | 0.0000 | |
| 293 | L | A | 0.0000 | |
| 294 | F | A | 0.0000 | |
| 295 | S | A | 0.0000 | |
| 296 | D | A | -0.5893 | |
| 297 | R | A | -0.6077 | |
| 298 | S | A | -0.8024 | |
| 299 | F | A | 0.0000 | |
| 300 | A | A | 0.0000 | |
| 301 | Q | A | -0.6422 | |
| 302 | F | A | 0.0000 | |
| 303 | S | A | 0.0000 | |
| 304 | Q | A | 0.0000 | |
| 305 | E | A | -0.5669 | |
| 306 | I | A | 0.0000 | |
| 307 | G | A | 0.0000 | |
| 308 | L | A | -0.0041 | |
| 309 | A | A | 0.0000 | |
| 310 | S | A | 0.0000 | |
| 311 | L | A | 0.0000 | |
| 312 | G | A | 0.0000 | |
| 313 | A | A | 0.0000 | |
| 314 | P | A | -1.1092 | |
| 315 | D | A | -1.9697 | |
| 316 | E | A | -2.2225 | |
| 317 | Y | A | -1.2331 | |
| 318 | I | A | 0.0000 | |
| 319 | E | A | -1.4895 | |
| 320 | K | A | -0.8919 | |
| 321 | L | A | 0.0000 | |
| 322 | A | A | 0.0000 | |
| 323 | T | A | 0.0000 | |
| 324 | I | A | 0.0000 | |
| 325 | Y | A | -0.0139 | |
| 326 | W | A | 0.0000 | |
| 327 | F | A | 0.0000 | |
| 328 | T | A | 0.0000 | |
| 329 | V | A | 0.0000 | |
| 330 | E | A | -0.0896 | |
| 331 | F | A | 0.1904 | |
| 332 | G | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | C | A | 0.0000 | |
| 335 | K | A | -2.5025 | |
| 336 | Q | A | -2.0104 | |
| 337 | G | A | -2.1117 | |
| 338 | D | A | -2.3418 | |
| 339 | S | A | -1.3772 | |
| 340 | I | A | -0.9428 | |
| 341 | K | A | -0.4079 | |
| 342 | A | A | 0.0000 | |
| 343 | Y | A | 0.0000 | |
| 344 | G | A | 0.0000 | |
| 345 | A | A | 0.0000 | |
| 346 | G | A | 0.2163 | |
| 347 | L | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | S | A | 0.1593 | |
| 350 | S | A | 0.7449 | |
| 351 | F | A | 1.1269 | |
| 352 | G | A | 0.2857 | |
| 353 | E | A | 0.0000 | |
| 354 | L | A | 0.0000 | |
| 355 | Q | A | -0.5959 | |
| 356 | Y | A | -0.6117 | |
| 357 | C | A | 0.0000 | |
| 358 | L | A | -0.3625 | |
| 359 | S | A | -1.6594 | |
| 360 | E | A | -2.7719 | |
| 361 | K | A | -2.8486 | |
| 362 | P | A | 0.0000 | |
| 363 | K | A | -2.0667 | |
| 364 | L | A | -0.3625 | |
| 365 | L | A | 0.0172 | |
| 366 | P | A | -0.4744 | |
| 367 | L | A | 0.0000 | |
| 368 | E | A | -1.6281 | |
| 369 | L | A | 0.0000 | |
| 370 | E | A | -2.1612 | |
| 371 | K | A | -1.3446 | |
| 372 | T | A | 0.0000 | |
| 373 | A | A | 0.0000 | |
| 374 | I | A | 0.7680 | |
| 375 | Q | A | -0.3932 | |
| 376 | N | A | -1.2601 | |
| 377 | Y | A | 0.0000 | |
| 378 | T | A | -0.7356 | |
| 379 | V | A | 0.1075 | |
| 380 | T | A | -0.6108 | |
| 381 | E | A | -1.2277 | |
| 382 | F | A | 0.0158 | |
| 383 | Q | A | 0.0000 | |
| 384 | P | A | -0.8653 | |
| 385 | L | A | 0.0000 | |
| 386 | Y | A | 0.0000 | |
| 387 | Y | A | 0.0000 | |
| 388 | V | A | 0.0000 | |
| 389 | A | A | 0.0000 | |
| 390 | E | A | -2.7861 | |
| 391 | S | A | -1.9755 | |
| 392 | F | A | 0.0000 | |
| 393 | N | A | -2.0485 | |
| 394 | D | A | -2.6007 | |
| 395 | A | A | 0.0000 | |
| 396 | K | A | 0.0000 | |
| 397 | E | A | -2.3829 | |
| 398 | K | A | -2.1613 | |
| 399 | V | A | 0.0000 | |
| 400 | R | A | 0.0000 | |
| 401 | N | A | -1.7185 | |
| 402 | F | A | 0.0000 | |
| 403 | A | A | -0.6036 | |
| 404 | A | A | -0.3340 | |
| 405 | T | A | -0.3236 | |
| 406 | I | A | 0.0000 | |
| 407 | P | A | -0.4030 | |
| 408 | R | A | -0.4232 | |
| 409 | P | A | -0.4734 | |
| 410 | F | A | 0.0000 | |
| 411 | S | A | -0.2092 | |
| 412 | V | A | -0.1693 | |
| 413 | R | A | -0.5141 | |
| 414 | Y | A | 0.0000 | |
| 415 | D | A | 0.0000 | |
| 416 | P | A | -0.1783 | |
| 417 | Y | A | -0.0733 | |
| 418 | T | A | 0.0000 | |
| 419 | Q | A | -0.6354 | |
| 420 | R | A | -0.6384 | |
| 421 | I | A | 0.0000 | |
| 422 | E | A | -0.4965 | |
| 423 | V | A | -0.3587 | |
| 424 | L | A | 0.0000 | |
| 425 | D | A | -1.3756 | |
| 426 | N | A | -1.6416 | |
| 427 | T | A | -0.5921 | |
| 428 | Q | A | -0.6373 | |
| 429 | Q | A | -0.7054 | |
| 430 | L | A | -0.3971 | |
| 431 | K | A | -0.5263 | |
| 432 | I | A | -0.2769 | |
| 433 | L | A | 0.0000 | |
| 434 | A | A | -0.9162 | |
| 435 | D | A | -1.7767 | |
| 436 | S | A | -1.1359 | |
| 437 | I | A | -0.7099 | |
| 438 | N | A | -1.0400 | |
| 439 | S | A | -1.4337 | |
| 440 | E | A | -0.9728 | |
| 441 | I | A | 0.2652 | |
| 442 | G | A | 0.5075 | |
| 443 | I | A | 1.6624 | |
| 444 | L | A | 2.0360 | |
| 445 | C | A | 1.2536 | |
| 446 | S | A | 0.7437 | |
| 20 | Q | B | -2.1884 | |
| 21 | E | B | -2.3803 | |
| 22 | T | B | -1.3893 | |
| 23 | S | B | -0.6235 | |
| 24 | Y | B | -0.8099 | |
| 25 | I | B | -0.5210 | |
| 26 | E | B | -2.3752 | |
| 27 | D | B | -1.9182 | |
| 28 | N | B | -1.9668 | |
| 29 | S | B | -1.5064 | |
| 32 | N | B | -1.9934 | |
| 33 | G | B | -1.5623 | |
| 34 | A | B | -1.0221 | |
| 35 | I | B | -0.1993 | |
| 36 | S | B | 0.0000 | |
| 37 | L | B | 0.0000 | |
| 38 | I | B | 0.0000 | |
| 39 | F | B | 0.0000 | |
| 40 | S | B | -0.4762 | |
| 41 | L | B | 0.0000 | |
| 42 | K | B | -2.0567 | |
| 43 | E | B | -1.7679 | |
| 44 | E | B | -1.7701 | |
| 45 | V | B | 0.1553 | |
| 46 | G | B | -0.5409 | |
| 47 | A | B | 0.0000 | |
| 48 | L | B | 0.0000 | |
| 49 | A | B | -0.7636 | |
| 50 | K | B | -1.2616 | |
| 51 | V | B | 0.0000 | |
| 52 | L | B | -1.6593 | |
| 53 | R | B | -3.0765 | |
| 54 | L | B | -2.2379 | |
| 55 | F | B | 0.0000 | |
| 56 | E | B | -4.1175 | |
| 57 | E | B | -3.8926 | |
| 58 | N | B | -3.1362 | |
| 59 | D | B | -3.2457 | |
| 60 | V | B | 0.0000 | |
| 61 | N | B | -2.2679 | |
| 62 | L | B | -0.7686 | |
| 63 | T | B | -0.5055 | |
| 64 | H | B | -0.7719 | |
| 65 | I | B | 0.0000 | |
| 66 | E | B | -0.4475 | |
| 67 | S | B | 0.0000 | |
| 68 | R | B | 0.0000 | |
| 69 | P | B | 0.0000 | |
| 70 | S | B | 0.0000 | |
| 71 | R | B | -1.2176 | |
| 72 | L | B | -1.1128 | |
| 73 | K | B | -2.2360 | |
| 74 | K | B | -1.8606 | |
| 75 | D | B | -2.0583 | |
| 76 | E | B | -2.1339 | |
| 77 | Y | B | 0.0000 | |
| 78 | E | B | -0.5809 | |
| 79 | F | B | 0.0000 | |
| 80 | F | B | -0.1098 | |
| 81 | T | B | 0.0000 | |
| 82 | H | B | -0.1340 | |
| 83 | L | B | -0.1878 | |
| 86 | R | B | -1.7754 | |
| 87 | S | B | -0.6031 | |
| 88 | L | B | 0.7863 | |
| 89 | P | B | -0.0795 | |
| 90 | A | B | -0.8202 | |
| 91 | L | B | 0.0000 | |
| 92 | T | B | -0.4951 | |
| 93 | N | B | -1.4069 | |
| 94 | I | B | 0.0000 | |
| 95 | I | B | -1.2954 | |
| 96 | K | B | -2.5009 | |
| 97 | I | B | -1.0917 | |
| 98 | L | B | 0.0000 | |
| 99 | R | B | -1.8117 | |
| 100 | H | B | -1.9638 | |
| 101 | D | B | -1.6762 | |
| 102 | I | B | 0.4491 | |
| 105 | T | B | -0.1341 | |
| 106 | V | B | 0.0000 | |
| 107 | H | B | -0.4568 | |
| 108 | E | B | -0.5168 | |
| 109 | L | B | 0.0000 | |
| 110 | S | B | 0.0000 | |
| 111 | R | B | 0.0000 | |
| 112 | D | B | -2.5848 | |
| 113 | K | B | -2.6345 | |
| 114 | K | B | -3.5015 | |
| 115 | K | B | -3.6327 | |
| 116 | D | B | -3.0999 | |
| 117 | T | B | -2.1914 | |
| 118 | V | B | -1.1808 | |
| 119 | P | B | -1.1008 | |
| 120 | W | B | 0.0000 | |
| 121 | F | B | 0.0000 | |
| 122 | P | B | -0.6008 | |
| 123 | R | B | 0.0000 | |
| 124 | T | B | -0.6072 | |
| 125 | I | B | 0.0000 | |
| 126 | Q | B | -2.0240 | |
| 127 | E | B | -1.6053 | |
| 128 | L | B | 0.0000 | |
| 129 | D | B | -2.0470 | |
| 130 | R | B | -2.3835 | |
| 131 | F | B | -1.3055 | |
| 132 | A | B | 0.0000 | |
| 133 | N | B | -0.8029 | |
| 134 | Q | B | -0.6645 | |
| 135 | I | B | 0.6764 | |
| 136 | L | B | 1.3930 | |
| 137 | S | B | 0.6434 | |
| 141 | E | B | -0.9067 | |
| 142 | L | B | 0.1663 | |
| 143 | D | B | -1.6108 | |
| 144 | A | B | -1.4415 | |
| 145 | D | B | -2.2603 | |
| 146 | H | B | 0.0000 | |
| 147 | P | B | -1.1762 | |
| 148 | G | B | 0.0000 | |
| 149 | F | B | -0.9103 | |
| 150 | K | B | -1.7084 | |
| 151 | D | B | -0.8354 | |
| 152 | P | B | -0.1506 | |
| 153 | V | B | 1.0687 | |
| 154 | Y | B | 0.0000 | |
| 155 | R | B | -1.0548 | |
| 156 | A | B | -0.8596 | |
| 157 | R | B | -1.0049 | |
| 158 | R | B | 0.0000 | |
| 159 | K | B | -2.6741 | |
| 160 | Q | B | -2.1502 | |
| 161 | F | B | 0.0000 | |
| 162 | A | B | 0.0000 | |
| 163 | D | B | -1.7169 | |
| 164 | I | B | -1.2284 | |
| 165 | A | B | 0.0000 | |
| 166 | Y | B | -0.7794 | |
| 167 | N | B | -1.5685 | |
| 168 | Y | B | 0.0000 | |
| 169 | R | B | -2.3323 | |
| 170 | H | B | -1.7631 | |
| 171 | G | B | -1.5486 | |
| 172 | Q | B | -1.7091 | |
| 173 | P | B | -1.5592 | |
| 174 | I | B | 0.0000 | |
| 175 | P | B | -1.2211 | |
| 176 | R | B | -2.4184 | |
| 177 | V | B | -1.7027 | |
| 178 | E | B | -2.2810 | |
| 179 | Y | B | 0.0000 | |
| 180 | M | B | -1.9156 | |
| 181 | E | B | -3.6209 | |
| 182 | E | B | -3.3904 | |
| 183 | E | B | 0.0000 | |
| 184 | K | B | -3.3805 | |
| 185 | K | B | -3.7294 | |
| 186 | T | B | 0.0000 | |
| 187 | W | B | 0.0000 | |
| 188 | G | B | -2.8257 | |
| 189 | T | B | -1.5175 | |
| 190 | V | B | 0.0000 | |
| 191 | F | B | 0.0000 | |
| 192 | K | B | -2.7830 | |
| 193 | T | B | -0.9598 | |
| 194 | L | B | 0.0000 | |
| 195 | K | B | -1.7196 | |
| 196 | S | B | -1.1269 | |
| 197 | L | B | -0.8092 | |
| 198 | Y | B | 0.0000 | |
| 199 | K | B | -1.8435 | |
| 200 | T | B | -0.8900 | |
| 201 | H | B | -0.5483 | |
| 202 | A | B | 0.0000 | |
| 203 | C | B | 0.0000 | |
| 204 | Y | B | -0.2080 | |
| 205 | E | B | 0.0000 | |
| 206 | Y | B | 0.0000 | |
| 207 | N | B | -0.5650 | |
| 208 | H | B | 0.0000 | |
| 209 | I | B | 0.0000 | |
| 210 | F | B | 0.0000 | |
| 211 | P | B | -0.5656 | |
| 212 | L | B | 0.0000 | |
| 213 | L | B | 0.0000 | |
| 214 | E | B | -1.4484 | |
| 215 | K | B | -1.2754 | |
| 216 | Y | B | -0.5347 | |
| 217 | C | B | 0.0000 | |
| 218 | G | B | -1.4016 | |
| 219 | F | B | 0.0000 | |
| 220 | H | B | -2.9927 | |
| 221 | E | B | -4.2012 | |
| 222 | D | B | -4.1124 | |
| 223 | N | B | -2.8588 | |
| 224 | I | B | 0.0000 | |
| 225 | P | B | 0.0000 | |
| 226 | Q | B | -1.2665 | |
| 227 | L | B | 0.0000 | |
| 228 | E | B | -1.5371 | |
| 229 | D | B | -1.5350 | |
| 230 | V | B | 0.0000 | |
| 231 | S | B | 0.0000 | |
| 232 | Q | B | -1.4736 | |
| 233 | F | B | 0.0000 | |
| 234 | L | B | 0.0000 | |
| 235 | Q | B | -0.7239 | |
| 236 | T | B | -0.5422 | |
| 237 | C | B | 0.0000 | |
| 238 | T | B | 0.0000 | |
| 239 | G | B | 0.0000 | |
| 240 | F | B | 0.0000 | |
| 241 | R | B | -0.5369 | |
| 242 | L | B | 0.0000 | |
| 243 | R | B | 0.0000 | |
| 244 | P | B | 0.0000 | |
| 245 | V | B | 0.0000 | |
| 246 | A | B | 0.0000 | |
| 247 | G | B | 0.3929 | |
| 248 | L | B | 0.9472 | |
| 249 | L | B | 0.0000 | |
| 250 | S | B | 0.0000 | |
| 251 | S | B | -0.4781 | |
| 252 | R | B | 0.0000 | |
| 253 | D | B | -0.1935 | |
| 254 | F | B | 0.3534 | |
| 255 | L | B | 0.0000 | |
| 256 | G | B | 0.0000 | |
| 257 | G | B | 0.0000 | |
| 258 | L | B | 0.0000 | |
| 259 | A | B | 0.0000 | |
| 260 | F | B | 0.0000 | |
| 261 | R | B | 0.0000 | |
| 262 | V | B | 0.0000 | |
| 263 | F | B | 0.0000 | |
| 264 | H | B | 0.0000 | |
| 265 | C | B | 0.0000 | |
| 266 | T | B | 0.0000 | |
| 267 | Q | B | 0.0000 | |
| 268 | Y | B | 0.0000 | |
| 269 | I | B | 0.0000 | |
| 270 | R | B | 0.0000 | |
| 271 | H | B | -0.7768 | |
| 272 | G | B | -1.4343 | |
| 273 | S | B | -0.8170 | |
| 274 | K | B | -0.9797 | |
| 275 | P | B | -0.3274 | |
| 276 | M | B | 1.0479 | |
| 277 | Y | B | 0.9973 | |
| 278 | T | B | 0.1718 | |
| 279 | P | B | -0.3255 | |
| 280 | E | B | -0.2411 | |
| 281 | P | B | -0.1950 | |
| 282 | D | B | 0.0000 | |
| 283 | I | B | 0.0000 | |
| 284 | C | B | 0.0000 | |
| 285 | H | B | -0.2311 | |
| 286 | E | B | 0.0000 | |
| 287 | L | B | 0.0000 | |
| 288 | L | B | 0.0000 | |
| 289 | G | B | 0.0000 | |
| 290 | H | B | 0.0000 | |
| 291 | V | B | 0.0000 | |
| 292 | P | B | 0.0000 | |
| 293 | L | B | 0.0000 | |
| 294 | F | B | 0.0000 | |
| 295 | S | B | 0.0000 | |
| 296 | D | B | -0.7435 | |
| 297 | R | B | -0.8174 | |
| 298 | S | B | -0.9942 | |
| 299 | F | B | 0.0000 | |
| 300 | A | B | 0.0000 | |
| 301 | Q | B | -0.9062 | |
| 302 | F | B | 0.0000 | |
| 303 | S | B | 0.0000 | |
| 304 | Q | B | 0.0000 | |
| 305 | E | B | -0.9775 | |
| 306 | I | B | 0.0000 | |
| 307 | G | B | 0.0000 | |
| 308 | L | B | -0.3102 | |
| 309 | A | B | 0.0000 | |
| 310 | S | B | 0.0000 | |
| 311 | L | B | 0.0000 | |
| 312 | G | B | 0.0000 | |
| 313 | A | B | 0.0000 | |
| 314 | P | B | -1.2298 | |
| 315 | D | B | -2.3917 | |
| 316 | E | B | -2.5193 | |
| 317 | Y | B | -1.2311 | |
| 318 | I | B | 0.0000 | |
| 319 | E | B | -1.7892 | |
| 320 | K | B | -1.0450 | |
| 321 | L | B | 0.0000 | |
| 322 | A | B | 0.0000 | |
| 323 | T | B | 0.0000 | |
| 324 | I | B | 0.0000 | |
| 325 | Y | B | -0.0683 | |
| 326 | W | B | 0.0000 | |
| 327 | F | B | 0.0000 | |
| 328 | T | B | 0.0000 | |
| 329 | V | B | 0.0000 | |
| 330 | E | B | -0.0714 | |
| 331 | F | B | 0.2725 | |
| 332 | G | B | 0.0000 | |
| 333 | L | B | 0.0000 | |
| 334 | C | B | 0.0000 | |
| 335 | K | B | -2.2443 | |
| 336 | Q | B | -1.7068 | |
| 337 | G | B | -1.9449 | |
| 338 | D | B | -2.2137 | |
| 339 | S | B | -1.1756 | |
| 340 | I | B | -0.5472 | |
| 341 | K | B | -0.1996 | |
| 342 | A | B | 0.0000 | |
| 343 | Y | B | 0.0000 | |
| 344 | G | B | 0.0000 | |
| 345 | A | B | 0.0000 | |
| 346 | G | B | 0.0000 | |
| 347 | L | B | 0.0000 | |
| 348 | L | B | 0.0000 | |
| 349 | S | B | 0.1236 | |
| 350 | S | B | 0.5697 | |
| 351 | F | B | 0.9486 | |
| 352 | G | B | 0.3545 | |
| 353 | E | B | 0.0000 | |
| 354 | L | B | 0.0000 | |
| 355 | Q | B | -0.2103 | |
| 356 | Y | B | -0.3761 | |
| 357 | C | B | 0.0000 | |
| 358 | L | B | -0.3046 | |
| 359 | S | B | -1.5601 | |
| 360 | E | B | -2.7936 | |
| 361 | K | B | -2.8646 | |
| 362 | P | B | -1.8941 | |
| 363 | K | B | -2.1296 | |
| 364 | L | B | -0.4190 | |
| 365 | L | B | -0.1349 | |
| 366 | P | B | -0.8964 | |
| 367 | L | B | 0.0000 | |
| 368 | E | B | -2.6298 | |
| 369 | L | B | 0.0000 | |
| 370 | E | B | -2.6201 | |
| 371 | K | B | -2.0715 | |
| 372 | T | B | 0.0000 | |
| 373 | A | B | 0.0000 | |
| 374 | I | B | 0.6413 | |
| 375 | Q | B | -0.5379 | |
| 376 | N | B | -1.2986 | |
| 377 | Y | B | 0.0000 | |
| 378 | T | B | -1.0574 | |
| 379 | V | B | -0.3563 | |
| 380 | T | B | -0.8732 | |
| 381 | E | B | -1.1407 | |
| 382 | F | B | 0.3223 | |
| 383 | Q | B | 0.0000 | |
| 384 | P | B | -0.7828 | |
| 385 | L | B | 0.0000 | |
| 386 | Y | B | 0.0000 | |
| 387 | Y | B | 0.0000 | |
| 388 | V | B | -0.5023 | |
| 389 | A | B | 0.0000 | |
| 390 | E | B | -2.7446 | |
| 391 | S | B | -2.0591 | |
| 392 | F | B | 0.0000 | |
| 393 | N | B | -2.7884 | |
| 394 | D | B | -2.6772 | |
| 395 | A | B | 0.0000 | |
| 396 | K | B | -2.4330 | |
| 397 | E | B | -3.1265 | |
| 398 | K | B | -2.8224 | |
| 399 | V | B | 0.0000 | |
| 400 | R | B | -2.6327 | |
| 401 | N | B | -2.4110 | |
| 402 | F | B | 0.0000 | |
| 403 | A | B | -1.1361 | |
| 404 | A | B | -0.8118 | |
| 405 | T | B | -0.5430 | |
| 406 | I | B | 0.0000 | |
| 407 | P | B | -0.4298 | |
| 408 | R | B | -0.6946 | |
| 409 | P | B | -0.7767 | |
| 410 | F | B | 0.0000 | |
| 411 | S | B | -1.0849 | |
| 412 | V | B | -0.6905 | |
| 413 | R | B | -1.2843 | |
| 414 | Y | B | 0.0000 | |
| 415 | D | B | -0.5319 | |
| 416 | P | B | 0.0000 | |
| 417 | Y | B | 0.0246 | |
| 418 | T | B | 0.0000 | |
| 419 | Q | B | -0.3980 | |
| 420 | R | B | 0.0000 | |
| 421 | I | B | 0.0000 | |
| 422 | E | B | 0.0000 | |
| 423 | V | B | -0.6328 | |
| 424 | L | B | 0.0000 | |
| 425 | D | B | -2.5299 | |
| 426 | N | B | -2.2930 | |
| 427 | T | B | -1.8811 | |
| 428 | Q | B | -1.4405 | |
| 429 | Q | B | -0.8842 | |
| 430 | L | B | -0.7155 | |
| 431 | K | B | -0.8702 | |
| 432 | I | B | 0.1179 | |
| 433 | L | B | 0.3239 | |
| 434 | A | B | 0.0585 | |
| 435 | D | B | -0.0626 | |
| 436 | S | B | 0.0094 | |
| 437 | I | B | 0.1533 | |
| 438 | N | B | 0.0000 | |
| 439 | S | B | -0.0460 | |
| 440 | E | B | 0.0000 | |
| 441 | I | B | 0.0000 | |
| 442 | G | B | -0.2844 | |
| 443 | I | B | -0.2947 | |
| 444 | L | B | -0.1315 | |
| 445 | C | B | -0.0236 | |
| 446 | S | B | 0.0591 | |
| 447 | A | B | 0.4824 | |
| 448 | L | B | 1.2839 | |
| 22 | T | C | -0.0326 | |
| 23 | S | C | -0.0190 | |
| 24 | Y | C | -0.7461 | |
| 25 | I | C | -0.7407 | |
| 26 | E | C | -2.6891 | |
| 27 | D | C | -2.2177 | |
| 28 | N | C | -2.2659 | |
| 29 | S | C | -2.0021 | |
| 30 | N | C | -2.2592 | |
| 31 | Q | C | -2.5490 | |
| 32 | N | C | -2.5970 | |
| 33 | G | C | 0.0000 | |
| 34 | A | C | 0.0000 | |
| 35 | I | C | 0.0000 | |
| 36 | S | C | 0.0000 | |
| 37 | L | C | 0.0000 | |
| 38 | I | C | 0.0000 | |
| 39 | F | C | 0.0000 | |
| 40 | S | C | -0.5540 | |
| 41 | L | C | 0.0000 | |
| 42 | K | C | -1.8694 | |
| 43 | E | C | -1.7336 | |
| 44 | E | C | -1.6475 | |
| 45 | V | C | 0.2809 | |
| 46 | G | C | -0.5563 | |
| 47 | A | C | 0.0000 | |
| 48 | L | C | 0.0000 | |
| 49 | A | C | -1.0150 | |
| 50 | K | C | -1.6697 | |
| 51 | V | C | 0.0000 | |
| 52 | L | C | 0.0000 | |
| 53 | R | C | -3.3425 | |
| 54 | L | C | -2.0454 | |
| 55 | F | C | 0.0000 | |
| 56 | E | C | -4.0088 | |
| 57 | E | C | -3.6265 | |
| 58 | N | C | -3.0744 | |
| 59 | D | C | -2.9343 | |
| 60 | V | C | -2.1865 | |
| 61 | N | C | -2.0205 | |
| 62 | L | C | -1.3314 | |
| 63 | T | C | -0.5671 | |
| 64 | H | C | -0.8529 | |
| 65 | I | C | 0.0000 | |
| 66 | E | C | -0.3723 | |
| 67 | S | C | 0.0000 | |
| 68 | R | C | -0.5361 | |
| 69 | P | C | -0.8596 | |
| 70 | S | C | -1.0458 | |
| 71 | R | C | -0.6761 | |
| 72 | L | C | -0.0886 | |
| 73 | K | C | -1.4264 | |
| 74 | K | C | -1.7270 | |
| 75 | D | C | -2.1671 | |
| 76 | E | C | -1.9077 | |
| 77 | Y | C | 0.0000 | |
| 78 | E | C | -0.8131 | |
| 79 | F | C | 0.0000 | |
| 80 | F | C | 0.0000 | |
| 81 | T | C | 0.0000 | |
| 82 | H | C | -0.3001 | |
| 83 | L | C | -0.8082 | |
| 84 | D | C | -1.7021 | |
| 85 | K | C | -2.5350 | |
| 86 | R | C | -2.7416 | |
| 87 | S | C | -1.5648 | |
| 88 | L | C | -0.8230 | |
| 89 | P | C | -0.6916 | |
| 90 | A | C | -1.2098 | |
| 91 | L | C | 0.0000 | |
| 92 | T | C | -0.6169 | |
| 93 | N | C | -1.0626 | |
| 94 | I | C | 0.0000 | |
| 95 | I | C | 0.0000 | |
| 96 | K | C | -2.1071 | |
| 97 | I | C | -0.3945 | |
| 98 | L | C | 0.0000 | |
| 99 | R | C | -1.4863 | |
| 100 | H | C | -1.8133 | |
| 101 | D | C | -1.4326 | |
| 102 | I | C | 0.8456 | |
| 103 | G | C | -0.0233 | |
| 104 | A | C | -0.2447 | |
| 105 | T | C | -0.4173 | |
| 106 | V | C | 0.0000 | |
| 107 | H | C | -0.6298 | |
| 108 | E | C | -0.6409 | |
| 109 | L | C | 0.0000 | |
| 110 | S | C | 0.0000 | |
| 111 | R | C | 0.0000 | |
| 112 | D | C | -3.0940 | |
| 113 | K | C | -3.1310 | |
| 114 | K | C | -3.8123 | |
| 115 | K | C | -3.7915 | |
| 116 | D | C | -3.2606 | |
| 117 | T | C | -2.3540 | |
| 118 | V | C | -1.3345 | |
| 119 | P | C | -1.1393 | |
| 120 | W | C | 0.0000 | |
| 121 | F | C | 0.0000 | |
| 122 | P | C | 0.0000 | |
| 123 | R | C | 0.0000 | |
| 124 | T | C | 0.0000 | |
| 125 | I | C | 0.0000 | |
| 126 | Q | C | -1.2365 | |
| 127 | E | C | 0.0000 | |
| 128 | L | C | 0.0000 | |
| 129 | D | C | -1.6225 | |
| 130 | R | C | -1.6313 | |
| 131 | F | C | 0.0000 | |
| 132 | A | C | 0.0000 | |
| 133 | N | C | -0.6906 | |
| 134 | Q | C | -0.3151 | |
| 135 | I | C | 1.0807 | |
| 136 | L | C | 1.8945 | |
| 141 | E | C | -0.6453 | |
| 142 | L | C | 0.4677 | |
| 143 | D | C | -1.5667 | |
| 144 | A | C | -1.3652 | |
| 145 | D | C | -2.2069 | |
| 146 | H | C | 0.0000 | |
| 147 | P | C | -1.1305 | |
| 148 | G | C | 0.0000 | |
| 149 | F | C | -0.7339 | |
| 150 | K | C | -1.6593 | |
| 151 | D | C | -0.7949 | |
| 152 | P | C | -0.1797 | |
| 153 | V | C | 1.0512 | |
| 154 | Y | C | 0.0000 | |
| 155 | R | C | -1.1019 | |
| 156 | A | C | -0.8352 | |
| 157 | R | C | -0.8841 | |
| 158 | R | C | 0.0000 | |
| 159 | K | C | -2.6511 | |
| 160 | Q | C | -2.1241 | |
| 161 | F | C | 0.0000 | |
| 162 | A | C | -1.5440 | |
| 163 | D | C | -1.8063 | |
| 164 | I | C | -1.2561 | |
| 165 | A | C | 0.0000 | |
| 166 | Y | C | -0.8066 | |
| 167 | N | C | -1.7527 | |
| 168 | Y | C | 0.0000 | |
| 169 | R | C | -2.3625 | |
| 170 | H | C | -1.7542 | |
| 171 | G | C | -1.6279 | |
| 172 | Q | C | -1.9512 | |
| 173 | P | C | -1.7142 | |
| 174 | I | C | 0.0000 | |
| 175 | P | C | -1.2270 | |
| 176 | R | C | -2.5434 | |
| 177 | V | C | 0.0000 | |
| 178 | E | C | -2.3216 | |
| 179 | Y | C | -1.7469 | |
| 180 | M | C | -1.9479 | |
| 181 | E | C | -3.6173 | |
| 182 | E | C | -3.4164 | |
| 183 | E | C | 0.0000 | |
| 184 | K | C | -3.1932 | |
| 185 | K | C | -3.6282 | |
| 186 | T | C | 0.0000 | |
| 187 | W | C | 0.0000 | |
| 188 | G | C | -2.4025 | |
| 189 | T | C | -1.2976 | |
| 190 | V | C | 0.0000 | |
| 191 | F | C | 0.0000 | |
| 192 | K | C | -2.3908 | |
| 193 | T | C | -0.7656 | |
| 194 | L | C | 0.0000 | |
| 195 | K | C | -1.6779 | |
| 196 | S | C | -1.1995 | |
| 197 | L | C | 0.0000 | |
| 198 | Y | C | 0.0000 | |
| 199 | K | C | -1.9550 | |
| 200 | T | C | -1.0883 | |
| 201 | H | C | -0.7619 | |
| 202 | A | C | 0.0000 | |
| 203 | C | C | 0.0000 | |
| 204 | Y | C | -0.5020 | |
| 205 | E | C | -0.5144 | |
| 206 | Y | C | 0.0000 | |
| 207 | N | C | -0.7142 | |
| 208 | H | C | 0.0000 | |
| 209 | I | C | 0.0000 | |
| 210 | F | C | 0.0000 | |
| 211 | P | C | -0.8068 | |
| 212 | L | C | 0.0000 | |
| 213 | L | C | 0.0000 | |
| 214 | E | C | -2.0463 | |
| 215 | K | C | -2.1839 | |
| 216 | Y | C | -1.0780 | |
| 217 | C | C | -1.4076 | |
| 218 | G | C | -1.6679 | |
| 219 | F | C | 0.0000 | |
| 220 | H | C | -2.8440 | |
| 221 | E | C | -3.3594 | |
| 222 | D | C | -3.6633 | |
| 223 | N | C | -2.5126 | |
| 224 | I | C | 0.0000 | |
| 225 | P | C | 0.0000 | |
| 226 | Q | C | -1.6589 | |
| 227 | L | C | 0.0000 | |
| 228 | E | C | -1.9796 | |
| 229 | D | C | -2.5782 | |
| 230 | V | C | 0.0000 | |
| 231 | S | C | 0.0000 | |
| 232 | Q | C | -2.0897 | |
| 233 | F | C | 0.0000 | |
| 234 | L | C | 0.0000 | |
| 235 | Q | C | -1.0176 | |
| 236 | T | C | -0.6530 | |
| 237 | C | C | 0.0000 | |
| 238 | T | C | 0.0000 | |
| 239 | G | C | 0.0000 | |
| 240 | F | C | 0.0000 | |
| 241 | R | C | -0.6463 | |
| 242 | L | C | 0.0000 | |
| 243 | R | C | 0.0000 | |
| 244 | P | C | 0.0000 | |
| 245 | V | C | 0.0000 | |
| 246 | A | C | -0.1523 | |
| 247 | G | C | 0.5821 | |
| 248 | L | C | 1.2899 | |
| 249 | L | C | 0.0000 | |
| 250 | S | C | 0.0000 | |
| 251 | S | C | 0.0000 | |
| 252 | R | C | 0.0000 | |
| 253 | D | C | -0.2725 | |
| 254 | F | C | 0.3646 | |
| 255 | L | C | 0.0000 | |
| 256 | G | C | 0.0000 | |
| 257 | G | C | 0.0000 | |
| 258 | L | C | 0.0000 | |
| 259 | A | C | 0.0000 | |
| 260 | F | C | 0.0000 | |
| 261 | R | C | 0.0000 | |
| 262 | V | C | 0.0000 | |
| 263 | F | C | 0.0000 | |
| 264 | H | C | 0.0000 | |
| 265 | C | C | 0.0000 | |
| 266 | T | C | 0.0000 | |
| 267 | Q | C | 0.0000 | |
| 268 | Y | C | 0.0000 | |
| 269 | I | C | 0.0000 | |
| 270 | R | C | 0.0000 | |
| 271 | H | C | -0.8267 | |
| 272 | G | C | -1.5509 | |
| 273 | S | C | -0.8968 | |
| 274 | K | C | -1.0595 | |
| 275 | P | C | -0.3738 | |
| 276 | M | C | 1.0863 | |
| 277 | Y | C | 1.0065 | |
| 278 | T | C | 0.1430 | |
| 279 | P | C | -0.5053 | |
| 280 | E | C | -0.3418 | |
| 281 | P | C | -0.2474 | |
| 282 | D | C | 0.0000 | |
| 283 | I | C | 0.0000 | |
| 284 | C | C | 0.0000 | |
| 285 | H | C | -0.2568 | |
| 286 | E | C | 0.0000 | |
| 287 | L | C | 0.0000 | |
| 288 | L | C | 0.0000 | |
| 289 | G | C | 0.0000 | |
| 290 | H | C | 0.0000 | |
| 291 | V | C | 0.0000 | |
| 292 | P | C | 0.0000 | |
| 293 | L | C | 0.0000 | |
| 294 | F | C | 0.0000 | |
| 295 | S | C | 0.0000 | |
| 296 | D | C | -0.8370 | |
| 297 | R | C | -0.9524 | |
| 298 | S | C | -0.9214 | |
| 299 | F | C | 0.0000 | |
| 300 | A | C | 0.0000 | |
| 301 | Q | C | -0.8160 | |
| 302 | F | C | 0.0000 | |
| 303 | S | C | 0.0000 | |
| 304 | Q | C | 0.0000 | |
| 305 | E | C | -0.8938 | |
| 306 | I | C | 0.0000 | |
| 307 | G | C | 0.0000 | |
| 308 | L | C | 0.0000 | |
| 309 | A | C | 0.0000 | |
| 310 | S | C | 0.0000 | |
| 311 | L | C | 0.0000 | |
| 312 | G | C | 0.0000 | |
| 313 | A | C | 0.0000 | |
| 314 | P | C | -1.4358 | |
| 315 | D | C | -2.4197 | |
| 316 | E | C | -2.7924 | |
| 317 | Y | C | -1.5303 | |
| 318 | I | C | 0.0000 | |
| 319 | E | C | -2.1819 | |
| 320 | K | C | -1.2826 | |
| 321 | L | C | 0.0000 | |
| 322 | A | C | 0.0000 | |
| 323 | T | C | 0.0000 | |
| 324 | I | C | 0.0000 | |
| 325 | Y | C | -0.1063 | |
| 326 | W | C | 0.0000 | |
| 327 | F | C | 0.0000 | |
| 328 | T | C | 0.0000 | |
| 329 | V | C | 0.0000 | |
| 330 | E | C | -0.0976 | |
| 331 | F | C | 0.2298 | |
| 332 | G | C | 0.0000 | |
| 333 | L | C | 0.0000 | |
| 334 | C | C | 0.0000 | |
| 335 | K | C | -1.8847 | |
| 336 | Q | C | -1.7447 | |
| 337 | G | C | -1.9586 | |
| 338 | D | C | -2.4169 | |
| 339 | S | C | -1.2564 | |
| 340 | I | C | -0.7526 | |
| 341 | K | C | -0.2785 | |
| 342 | A | C | 0.0000 | |
| 343 | Y | C | 0.0000 | |
| 344 | G | C | 0.0000 | |
| 345 | A | C | 0.0000 | |
| 346 | G | C | -0.0197 | |
| 347 | L | C | 0.0000 | |
| 348 | L | C | 0.0000 | |
| 349 | S | C | 0.1023 | |
| 350 | S | C | 0.4420 | |
| 351 | F | C | 0.8338 | |
| 352 | G | C | -0.0365 | |
| 353 | E | C | -0.3219 | |
| 354 | L | C | 0.0000 | |
| 355 | Q | C | -0.9948 | |
| 356 | Y | C | -0.8419 | |
| 357 | C | C | 0.0000 | |
| 358 | L | C | -0.5343 | |
| 359 | S | C | -1.7535 | |
| 360 | E | C | -2.8040 | |
| 361 | K | C | -2.8762 | |
| 362 | P | C | -1.8779 | |
| 363 | K | C | -2.0847 | |
| 364 | L | C | -0.3500 | |
| 365 | L | C | -0.0327 | |
| 366 | P | C | -0.4767 | |
| 367 | L | C | 0.0000 | |
| 368 | E | C | -1.8104 | |
| 369 | L | C | 0.0000 | |
| 370 | E | C | -2.4165 | |
| 371 | K | C | -1.6473 | |
| 372 | T | C | 0.0000 | |
| 373 | A | C | 0.0000 | |
| 374 | I | C | 0.6541 | |
| 375 | Q | C | -0.3726 | |
| 376 | N | C | -0.8123 | |
| 377 | Y | C | -0.1967 | |
| 378 | T | C | 0.0647 | |
| 379 | V | C | 0.8254 | |
| 380 | T | C | -0.1498 | |
| 381 | E | C | -0.9896 | |
| 382 | F | C | 0.3944 | |
| 383 | Q | C | 0.0000 | |
| 384 | P | C | -0.7582 | |
| 385 | L | C | 0.0000 | |
| 386 | Y | C | 0.0000 | |
| 387 | Y | C | 0.0000 | |
| 388 | V | C | -0.2497 | |
| 389 | A | C | 0.0000 | |
| 390 | E | C | -2.4131 | |
| 391 | S | C | -1.5561 | |
| 392 | F | C | 0.0000 | |
| 393 | N | C | -1.4509 | |
| 394 | D | C | -1.5678 | |
| 395 | A | C | 0.0000 | |
| 396 | K | C | -1.4084 | |
| 397 | E | C | -1.7150 | |
| 398 | K | C | -1.8031 | |
| 399 | V | C | 0.0000 | |
| 400 | R | C | -1.5509 | |
| 401 | N | C | -1.7533 | |
| 402 | F | C | -1.1999 | |
| 403 | A | C | -0.7263 | |
| 404 | A | C | -0.3965 | |
| 405 | T | C | -0.5634 | |
| 406 | I | C | 0.0000 | |
| 407 | P | C | -0.3875 | |
| 408 | R | C | -0.4732 | |
| 409 | P | C | -0.6971 | |
| 410 | F | C | 0.0000 | |
| 411 | S | C | -0.8883 | |
| 412 | V | C | -0.6951 | |
| 413 | R | C | -1.1762 | |
| 414 | Y | C | 0.0000 | |
| 415 | D | C | -0.6136 | |
| 416 | P | C | -0.3561 | |
| 417 | Y | C | -0.0532 | |
| 418 | T | C | 0.0000 | |
| 419 | Q | C | -0.6289 | |
| 420 | R | C | -0.6700 | |
| 421 | I | C | 0.0000 | |
| 422 | E | C | -0.7473 | |
| 423 | V | C | -0.5646 | |
| 424 | L | C | 0.0000 | |
| 425 | D | C | -2.4811 | |
| 426 | N | C | -2.1935 | |
| 427 | T | C | -1.8747 | |
| 428 | Q | C | -1.4228 | |
| 429 | Q | C | -0.4495 | |
| 430 | L | C | -0.4441 | |
| 431 | K | C | -0.8073 | |
| 432 | I | C | 0.3319 | |
| 433 | L | C | 0.3589 | |
| 434 | A | C | -0.0745 | |
| 435 | D | C | -0.3116 | |
| 436 | S | C | 0.0586 | |
| 437 | I | C | 0.1854 | |
| 438 | N | C | -0.2086 | |
| 439 | S | C | -0.0735 | |
| 440 | E | C | 0.0000 | |
| 441 | I | C | 0.3274 | |
| 442 | G | C | 0.0775 | |
| 443 | I | C | 0.1907 | |
| 444 | L | C | 0.3885 | |
| 445 | C | C | 0.2905 | |
| 446 | S | C | 0.5032 | |
| 447 | A | C | 0.8027 | |
| 448 | L | C | 1.3969 | |
| 20 | Q | D | -2.0294 | |
| 21 | E | D | -2.0396 | |
| 22 | T | D | -1.1031 | |
| 23 | S | D | -0.3351 | |
| 24 | Y | D | -0.6918 | |
| 25 | I | D | -0.1477 | |
| 26 | E | D | -2.1994 | |
| 27 | D | D | -1.9203 | |
| 28 | N | D | -1.9958 | |
| 29 | S | D | -1.4192 | |
| 33 | G | D | -1.6190 | |
| 34 | A | D | 0.0000 | |
| 35 | I | D | -0.8060 | |
| 36 | S | D | 0.0000 | |
| 37 | L | D | 0.0000 | |
| 38 | I | D | 0.0532 | |
| 39 | F | D | 0.0000 | |
| 40 | S | D | -0.5347 | |
| 41 | L | D | 0.0000 | |
| 42 | K | D | -1.3821 | |
| 43 | E | D | -1.5323 | |
| 44 | E | D | -1.5703 | |
| 45 | V | D | 0.5658 | |
| 46 | G | D | -0.2820 | |
| 47 | A | D | 0.0000 | |
| 48 | L | D | -0.2107 | |
| 49 | A | D | -0.4153 | |
| 50 | K | D | -0.7482 | |
| 51 | V | D | 0.0000 | |
| 52 | L | D | -1.4186 | |
| 53 | R | D | -3.2722 | |
| 54 | L | D | 0.0000 | |
| 55 | F | D | 0.0000 | |
| 56 | E | D | -4.0756 | |
| 57 | E | D | -3.8860 | |
| 58 | N | D | -2.9752 | |
| 59 | D | D | -3.3694 | |
| 63 | T | D | -1.1780 | |
| 64 | H | D | -1.1062 | |
| 65 | I | D | -0.4969 | |
| 66 | E | D | -0.6784 | |
| 67 | S | D | 0.0000 | |
| 68 | R | D | 0.0000 | |
| 69 | P | D | -0.6882 | |
| 70 | S | D | -0.8695 | |
| 71 | R | D | 0.0000 | |
| 72 | L | D | 0.0000 | |
| 73 | K | D | -1.5342 | |
| 74 | K | D | -2.1943 | |
| 75 | D | D | -2.0149 | |
| 76 | E | D | -1.6339 | |
| 77 | Y | D | 0.0000 | |
| 78 | E | D | -0.4105 | |
| 79 | F | D | 0.0000 | |
| 80 | F | D | 0.0000 | |
| 81 | T | D | 0.0000 | |
| 82 | H | D | -0.8541 | |
| 83 | L | D | -0.8986 | |
| 84 | D | D | -1.5874 | |
| 85 | K | D | -2.1935 | |
| 86 | R | D | -2.5182 | |
| 87 | S | D | -1.5300 | |
| 88 | L | D | -0.7453 | |
| 89 | P | D | -0.7713 | |
| 90 | A | D | -1.0362 | |
| 91 | L | D | -0.6979 | |
| 92 | T | D | -0.3250 | |
| 93 | N | D | -0.7832 | |
| 94 | I | D | 0.0000 | |
| 95 | I | D | -1.0808 | |
| 96 | K | D | -2.1191 | |
| 97 | I | D | -1.1650 | |
| 98 | L | D | 0.0000 | |
| 99 | R | D | -2.4042 | |
| 100 | H | D | -2.3555 | |
| 101 | D | D | -1.8012 | |
| 102 | I | D | 0.7673 | |
| 105 | T | D | -0.5335 | |
| 106 | V | D | 0.0000 | |
| 107 | H | D | -0.5928 | |
| 108 | E | D | -0.6120 | |
| 109 | L | D | 0.0000 | |
| 110 | S | D | 0.0000 | |
| 111 | R | D | 0.0000 | |
| 112 | D | D | -3.5899 | |
| 113 | K | D | -4.1080 | |
| 114 | K | D | -4.2680 | |
| 115 | K | D | -3.9723 | |
| 116 | D | D | -3.3242 | |
| 117 | T | D | -2.5523 | |
| 118 | V | D | -1.4555 | |
| 119 | P | D | -1.2791 | |
| 120 | W | D | 0.0000 | |
| 121 | F | D | 0.0000 | |
| 122 | P | D | 0.0000 | |
| 123 | R | D | 0.0000 | |
| 124 | T | D | -0.6559 | |
| 125 | I | D | 0.0000 | |
| 126 | Q | D | -2.1318 | |
| 127 | E | D | -1.7042 | |
| 128 | L | D | 0.0000 | |
| 129 | D | D | -2.1776 | |
| 130 | R | D | -2.5193 | |
| 131 | F | D | -1.1039 | |
| 132 | A | D | 0.0000 | |
| 133 | N | D | -0.5014 | |
| 134 | Q | D | -0.0068 | |
| 135 | I | D | 1.8357 | |
| 141 | E | D | -2.1625 | |
| 142 | L | D | -0.4248 | |
| 143 | D | D | -2.0957 | |
| 144 | A | D | -1.7134 | |
| 145 | D | D | -2.4723 | |
| 146 | H | D | -1.8774 | |
| 147 | P | D | -1.3651 | |
| 148 | G | D | 0.0000 | |
| 149 | F | D | -1.3293 | |
| 150 | K | D | -1.8421 | |
| 151 | D | D | -0.9147 | |
| 152 | P | D | -0.1446 | |
| 153 | V | D | 1.0907 | |
| 154 | Y | D | 0.0000 | |
| 155 | R | D | -1.1067 | |
| 156 | A | D | -0.8293 | |
| 157 | R | D | -0.7794 | |
| 158 | R | D | -1.7841 | |
| 159 | K | D | -2.8740 | |
| 160 | Q | D | -2.2034 | |
| 161 | F | D | 0.0000 | |
| 162 | A | D | -1.8015 | |
| 163 | D | D | -2.4824 | |
| 164 | I | D | -1.5887 | |
| 165 | A | D | 0.0000 | |
| 166 | Y | D | -1.0375 | |
| 167 | N | D | -1.8192 | |
| 168 | Y | D | 0.0000 | |
| 169 | R | D | -2.4374 | |
| 170 | H | D | -1.9208 | |
| 171 | G | D | -1.5956 | |
| 172 | Q | D | -1.6901 | |
| 173 | P | D | -1.6759 | |
| 174 | I | D | 0.0000 | |
| 175 | P | D | -1.2483 | |
| 176 | R | D | -2.6304 | |
| 177 | V | D | 0.0000 | |
| 178 | E | D | -2.3896 | |
| 179 | Y | D | 0.0000 | |
| 180 | M | D | -1.9959 | |
| 181 | E | D | -3.6491 | |
| 182 | E | D | -3.3928 | |
| 183 | E | D | 0.0000 | |
| 184 | K | D | -3.2465 | |
| 185 | K | D | -3.5797 | |
| 186 | T | D | 0.0000 | |
| 187 | W | D | 0.0000 | |
| 188 | G | D | -2.3643 | |
| 189 | T | D | -1.3070 | |
| 190 | V | D | 0.0000 | |
| 191 | F | D | 0.0000 | |
| 192 | K | D | -2.4095 | |
| 193 | T | D | -0.8252 | |
| 194 | L | D | 0.0000 | |
| 195 | K | D | -1.6690 | |
| 196 | S | D | -1.2429 | |
| 197 | L | D | -0.8482 | |
| 198 | Y | D | 0.0000 | |
| 199 | K | D | -1.7741 | |
| 200 | T | D | -0.9632 | |
| 201 | H | D | -0.6195 | |
| 202 | A | D | 0.0000 | |
| 203 | C | D | 0.0000 | |
| 204 | Y | D | 0.2921 | |
| 205 | E | D | 0.0000 | |
| 206 | Y | D | 0.0000 | |
| 207 | N | D | -0.4188 | |
| 208 | H | D | 0.0000 | |
| 209 | I | D | 0.0000 | |
| 210 | F | D | 0.0000 | |
| 211 | P | D | -0.5464 | |
| 212 | L | D | 0.0000 | |
| 213 | L | D | 0.0000 | |
| 214 | E | D | -1.3399 | |
| 215 | K | D | -1.5440 | |
| 216 | Y | D | -0.7990 | |
| 217 | C | D | 0.0000 | |
| 218 | G | D | -1.4852 | |
| 219 | F | D | 0.0000 | |
| 220 | H | D | -2.4186 | |
| 221 | E | D | -3.0033 | |
| 222 | D | D | -3.5534 | |
| 223 | N | D | -2.4998 | |
| 224 | I | D | 0.0000 | |
| 225 | P | D | 0.0000 | |
| 226 | Q | D | -1.6546 | |
| 227 | L | D | 0.0000 | |
| 228 | E | D | -2.1831 | |
| 229 | D | D | -2.5776 | |
| 230 | V | D | 0.0000 | |
| 231 | S | D | 0.0000 | |
| 232 | Q | D | -2.1944 | |
| 233 | F | D | 0.0000 | |
| 234 | L | D | 0.0000 | |
| 235 | Q | D | -0.9647 | |
| 236 | T | D | -0.6450 | |
| 237 | C | D | 0.0000 | |
| 238 | T | D | 0.0000 | |
| 239 | G | D | -0.6045 | |
| 240 | F | D | 0.0000 | |
| 241 | R | D | -1.5770 | |
| 242 | L | D | 0.0000 | |
| 243 | R | D | 0.0000 | |
| 244 | P | D | 0.0000 | |
| 245 | V | D | 0.0000 | |
| 246 | A | D | -0.0909 | |
| 247 | G | D | 0.6269 | |
| 248 | L | D | 1.6171 | |
| 249 | L | D | 0.0000 | |
| 250 | S | D | 0.0000 | |
| 251 | S | D | 0.0000 | |
| 252 | R | D | 0.0000 | |
| 253 | D | D | -0.2559 | |
| 254 | F | D | 0.4984 | |
| 255 | L | D | 0.0000 | |
| 256 | G | D | 0.0000 | |
| 257 | G | D | 0.0000 | |
| 258 | L | D | 0.0000 | |
| 259 | A | D | 0.0000 | |
| 260 | F | D | 0.0000 | |
| 261 | R | D | 0.0000 | |
| 262 | V | D | 0.0000 | |
| 263 | F | D | 0.0000 | |
| 264 | H | D | 0.0000 | |
| 265 | C | D | 0.0000 | |
| 266 | T | D | 0.0000 | |
| 267 | Q | D | 0.0000 | |
| 268 | Y | D | 0.0000 | |
| 269 | I | D | 0.0000 | |
| 270 | R | D | 0.0000 | |
| 271 | H | D | -0.8982 | |
| 272 | G | D | -1.6439 | |
| 273 | S | D | -1.0378 | |
| 274 | K | D | -1.3242 | |
| 275 | P | D | -0.4949 | |
| 276 | M | D | 1.0710 | |
| 277 | Y | D | 1.0046 | |
| 278 | T | D | 0.1423 | |
| 279 | P | D | -0.3310 | |
| 280 | E | D | -0.2279 | |
| 281 | P | D | -0.1556 | |
| 282 | D | D | 0.0000 | |
| 283 | I | D | 0.0000 | |
| 284 | C | D | 0.0000 | |
| 285 | H | D | -0.1988 | |
| 286 | E | D | 0.0000 | |
| 287 | L | D | 0.0000 | |
| 288 | L | D | 0.0000 | |
| 289 | G | D | 0.0000 | |
| 290 | H | D | 0.0000 | |
| 291 | V | D | 0.0000 | |
| 292 | P | D | 0.0000 | |
| 293 | L | D | 0.0000 | |
| 294 | F | D | 0.0000 | |
| 295 | S | D | 0.0000 | |
| 296 | D | D | -0.4935 | |
| 297 | R | D | -0.4447 | |
| 298 | S | D | -0.6722 | |
| 299 | F | D | 0.0000 | |
| 300 | A | D | 0.0000 | |
| 301 | Q | D | -0.5644 | |
| 302 | F | D | 0.0000 | |
| 303 | S | D | 0.0000 | |
| 304 | Q | D | 0.0000 | |
| 305 | E | D | -0.4764 | |
| 306 | I | D | 0.0000 | |
| 307 | G | D | 0.0000 | |
| 308 | L | D | 0.0000 | |
| 309 | A | D | 0.0000 | |
| 310 | S | D | 0.0000 | |
| 311 | L | D | 0.0000 | |
| 312 | G | D | 0.0000 | |
| 313 | A | D | 0.0000 | |
| 314 | P | D | -1.1842 | |
| 315 | D | D | -2.1624 | |
| 316 | E | D | -2.3591 | |
| 317 | Y | D | -1.3628 | |
| 318 | I | D | 0.0000 | |
| 319 | E | D | -1.7411 | |
| 320 | K | D | -1.0847 | |
| 321 | L | D | 0.0000 | |
| 322 | A | D | 0.0000 | |
| 323 | T | D | 0.0000 | |
| 324 | I | D | 0.0000 | |
| 325 | Y | D | 0.0000 | |
| 326 | W | D | 0.0000 | |
| 327 | F | D | 0.0000 | |
| 328 | T | D | 0.0000 | |
| 329 | V | D | 0.0000 | |
| 330 | E | D | -0.2009 | |
| 331 | F | D | 0.0000 | |
| 332 | G | D | 0.0000 | |
| 333 | L | D | 0.0000 | |
| 334 | C | D | 0.0000 | |
| 335 | K | D | -2.2161 | |
| 336 | Q | D | -1.5245 | |
| 337 | G | D | -1.9307 | |
| 338 | D | D | -2.2451 | |
| 339 | S | D | -1.3607 | |
| 340 | I | D | -0.9381 | |
| 341 | K | D | -0.4167 | |
| 342 | A | D | 0.0000 | |
| 343 | Y | D | 0.0000 | |
| 344 | G | D | 0.0000 | |
| 345 | A | D | 0.0000 | |
| 346 | G | D | 0.0000 | |
| 347 | L | D | 0.0000 | |
| 348 | L | D | 0.0000 | |
| 349 | S | D | 0.0000 | |
| 350 | S | D | 0.5894 | |
| 351 | F | D | 0.9819 | |
| 352 | G | D | 0.4366 | |
| 353 | E | D | 0.0000 | |
| 354 | L | D | 0.0000 | |
| 355 | Q | D | -0.5353 | |
| 356 | Y | D | -0.5131 | |
| 357 | C | D | 0.0000 | |
| 358 | L | D | -0.8615 | |
| 359 | S | D | -1.6013 | |
| 360 | E | D | -2.9243 | |
| 361 | K | D | -2.9225 | |
| 362 | P | D | 0.0000 | |
| 363 | K | D | -2.0812 | |
| 364 | L | D | -0.4842 | |
| 365 | L | D | -0.0788 | |
| 366 | P | D | -0.4980 | |
| 367 | L | D | -1.0086 | |
| 368 | E | D | -1.6144 | |
| 369 | L | D | -1.4713 | |
| 370 | E | D | -2.2880 | |
| 371 | K | D | -1.9855 | |
| 372 | T | D | 0.0000 | |
| 373 | A | D | 0.0000 | |
| 374 | I | D | 0.5007 | |
| 375 | Q | D | -0.6032 | |
| 376 | N | D | -1.2333 | |
| 377 | Y | D | -0.7583 | |
| 378 | T | D | -0.8133 | |
| 379 | V | D | 0.0200 | |
| 380 | T | D | -0.6575 | |
| 381 | E | D | -0.9466 | |
| 382 | F | D | 0.5929 | |
| 383 | Q | D | 0.0000 | |
| 384 | P | D | -0.6890 | |
| 385 | L | D | 0.0000 | |
| 386 | Y | D | 0.0000 | |
| 387 | Y | D | 0.0000 | |
| 388 | V | D | 0.0000 | |
| 389 | A | D | 0.0000 | |
| 390 | E | D | -2.6766 | |
| 391 | S | D | -1.9163 | |
| 392 | F | D | 0.0000 | |
| 393 | N | D | -2.2270 | |
| 394 | D | D | -2.3764 | |
| 395 | A | D | 0.0000 | |
| 396 | K | D | 0.0000 | |
| 397 | E | D | -2.2191 | |
| 398 | K | D | -1.7417 | |
| 399 | V | D | 0.0000 | |
| 400 | R | D | 0.0000 | |
| 401 | N | D | -1.5802 | |
| 402 | F | D | 0.0000 | |
| 403 | A | D | 0.0000 | |
| 404 | A | D | -0.3024 | |
| 405 | T | D | -0.3463 | |
| 406 | I | D | 0.0000 | |
| 407 | P | D | -0.4092 | |
| 408 | R | D | -0.5529 | |
| 409 | P | D | -0.6315 | |
| 410 | F | D | 0.0000 | |
| 411 | S | D | 0.0000 | |
| 412 | V | D | 0.0000 | |
| 413 | R | D | -0.1806 | |
| 414 | Y | D | -0.1277 | |
| 415 | D | D | 0.0000 | |
| 416 | P | D | -0.1822 | |
| 417 | Y | D | -0.1283 | |
| 418 | T | D | 0.0000 | |
| 419 | Q | D | -0.7127 | |
| 420 | R | D | 0.0000 | |
| 421 | I | D | 0.0000 | |
| 422 | E | D | 0.0000 | |
| 423 | V | D | 0.0000 | |
| 424 | L | D | 0.0000 | |
| 425 | D | D | -1.0520 | |
| 426 | N | D | -1.1432 | |
| 427 | T | D | -0.5454 | |
| 428 | Q | D | -0.8595 | |
| 429 | Q | D | 0.0000 | |
| 430 | L | D | -0.6878 | |
| 431 | K | D | -1.0817 | |
| 432 | I | D | -0.4753 | |
| 433 | L | D | 0.0000 | |
| 434 | A | D | -0.7384 | |
| 435 | D | D | -1.1271 | |
| 436 | S | D | -0.9162 | |
| 437 | I | D | -0.6500 | |
| 438 | N | D | -0.7689 | |
| 439 | S | D | -1.0396 | |
| 440 | E | D | -1.3784 | |
| 441 | I | D | -0.0382 | |
| 442 | G | D | 0.1257 | |
| 443 | I | D | 1.4662 | |
| 444 | L | D | 1.7480 | |
| 445 | C | D | 1.0428 | |
| 446 | S | D | 0.7289 |
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 | -0.5748 | 3.2449 | View | CSV | PDB |
| 4.5 | -0.637 | 3.1032 | View | CSV | PDB |
| 5.0 | -0.7135 | 3.0494 | View | CSV | PDB |
| 5.5 | -0.7889 | 3.0385 | View | CSV | PDB |
| 6.0 | -0.8469 | 3.0277 | View | CSV | PDB |
| 6.5 | -0.8771 | 3.017 | View | CSV | PDB |
| 7.0 | -0.88 | 3.0065 | View | CSV | PDB |
| 7.5 | -0.8648 | 2.9968 | View | CSV | PDB |
| 8.0 | -0.8398 | 2.9888 | View | CSV | PDB |
| 8.5 | -0.8075 | 2.9838 | View | CSV | PDB |
| 9.0 | -0.7672 | 2.9813 | 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