| Chain sequence(s) |
A: TIFQFPQDFMWGTATAAYQIEGAYQEDGRGLSIWDTFAHTPGKVFNGDNGNVACDSYHRYEEDIRLMKELGIRTYRFSVSWPRIFPNGDGEVNQEGLDYYHRVVDLLNDNGIEPFCTLYHWDLPQALQDAGGWGNRRTIQAFVQFAETMFREFHGKIQHWLTFNEPWCIAFLSNMLGVHAPGLTNLQTAIDVGHHLLVAHGLSVRRFRELGTSGQIGIAPNVSWAVPYSTSEEDKAACARTISLHSDWFLQPIYQGSYPQFLVDWFAEQGATVPIQDGDMDIIGEPIDMIGINYYSMSVNRFNPEAGFLQSEEINMGLPVTDIGWPVESRGLYEVLHYLQKYGNIDIYITENGACINDEVVNGKVQDDRRISYMQQHLVQVHRTIHDGLHVKGYMAWSLLDNFEWAEGYNMRFGMIHVDFRTQVRTPKESYYWYRNVVSNNWLETRR
C: TIFQFPQDFMWGTATAAYQIEGAYQEDGRGLSIWDTFAHTPGKVFNGDNGNVACDSYHRYEEDIRLMKELGIRTYRFSVSWPRIFPNGDGEVNQEGLDYYHRVVDLLNDNGIEPFCTLYHWDLPQALQDAGGWGNRRTIQAFVQFAETMFREFHGKIQHWLTFNEPWCIAFLSNMLGVHAPGLTNLQTAIDVGHHLLVAHGLSVRRFRELGTSGQIGIAPNVSWAVPYSTSEEDKAACARTISLHSDWFLQPIYQGSYPQFLVDWFAEQGATVPIQDGDMDIIGEPIDMIGINYYSMSVNRFNPEAGFLQSEEINMGLPVTDIGWPVESRGLYEVLHYLQKYGNIDIYITENGACINDEVVNGKVQDDRRISYMQQHLVQVHRTIHDGLHVKGYMAWSLLDNFEWAEGYNMRFGMIHVDFRTQVRTPKESYYWYRNVVSNNWLETRR B: TIFQFPQDFMWGTATAAYQIEGAYQEDGRGLSIWDTFAHTPGKVFNGDNGNVACDSYHRYEEDIRLMKELGIRTYRFSVSWPRIFPNGDGEVNQEGLDYYHRVVDLLNDNGIEPFCTLYHWDLPQALQDAGGWGNRRTIQAFVQFAETMFREFHGKIQHWLTFNEPWCIAFLSNMLGVHAPGLTNLQTAIDVGHHLLVAHGLSVRRFRELGTSGQIGIAPNVSWAVPYSTSEEDKAACARTISLHSDWFLQPIYQGSYPQFLVDWFAEQGATVPIQDGDMDIIGEPIDMIGINYYSMSVNRFNPEAGFLQSEEINMGLPVTDIGWPVESRGLYEVLHYLQKYGNIDIYITENGACINDEVVNGKVQDDRRISYMQQHLVQVHRTIHDGLHVKGYMAWSLLDNFEWAEGYNMRFGMIHVDFRTQVRTPKESYYWYRNVVSNNWLETRR D: TIFQFPQDFMWGTATAAYQIEGAYQEDGRGLSIWDTFAHTPGKVFNGDNGNVACDSYHRYEEDIRLMKELGIRTYRFSVSWPRIFPNGDGEVNQEGLDYYHRVVDLLNDNGIEPFCTLYHWDLPQALQDAGGWGNRRTIQAFVQFAETMFREFHGKIQHWLTFNEPWCIAFLSNMLGVHAPGLTNLQTAIDVGHHLLVAHGLSVRRFRELGTSGQIGIAPNVSWAVPYSTSEEDKAACARTISLHSDWFLQPIYQGSYPQFLVDWFAEQGATVPIQDGDMDIIGEPIDMIGINYYSMSVNRFNPEAGFLQSEEINMGLPVTDIGWPVESRGLYEVLHYLQKYGNIDIYITENGACINDEVVNGKVQDDRRISYMQQHLVQVHRTIHDGLHVKGYMAWSLLDNFEWAEGYNMRFGMIHVDFRTQVRTPKESYYWYRNVVSNNWLETRR 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. (00:00:08)
[INFO] FoldX: Starting FoldX energy minimization (00:00:08)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:18:54)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/99d4b2314a74b26/tmp/folded.pdb (00:18:54)
[INFO] Main: Simulation completed successfully. (00:30:41)
|
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 |
|---|---|---|---|---|
| 2 | T | A | -1.3267 | |
| 3 | I | A | -0.9722 | |
| 4 | F | A | -0.9301 | |
| 5 | Q | A | -1.2803 | |
| 6 | F | A | 0.0000 | |
| 7 | P | A | -1.5502 | |
| 8 | Q | A | -2.2874 | |
| 9 | D | A | -2.5479 | |
| 10 | F | A | 0.0000 | |
| 11 | M | A | -0.9862 | |
| 12 | W | A | 0.0000 | |
| 13 | G | A | 0.0000 | |
| 14 | T | A | 0.0000 | |
| 15 | A | A | 0.0000 | |
| 16 | T | A | 0.0000 | |
| 17 | A | A | 0.0000 | |
| 18 | A | A | 0.0000 | |
| 19 | Y | A | 0.0000 | |
| 20 | Q | A | 0.0000 | |
| 21 | I | A | 0.0000 | |
| 22 | E | A | 0.0000 | |
| 23 | G | A | 0.0000 | |
| 24 | A | A | -0.5577 | |
| 25 | Y | A | -0.6352 | |
| 26 | Q | A | -1.9493 | |
| 27 | E | A | -2.8220 | |
| 28 | D | A | -3.2015 | |
| 29 | G | A | -2.0477 | |
| 30 | R | A | 0.0000 | |
| 31 | G | A | -0.3287 | |
| 32 | L | A | 0.9237 | |
| 33 | S | A | 0.0000 | |
| 34 | I | A | 0.0000 | |
| 35 | W | A | 0.0000 | |
| 36 | D | A | 0.0000 | |
| 37 | T | A | 0.0407 | |
| 38 | F | A | -0.4469 | |
| 39 | A | A | 0.0000 | |
| 40 | H | A | -0.9354 | |
| 41 | T | A | -0.7244 | |
| 42 | P | A | -0.9982 | |
| 43 | G | A | -1.2466 | |
| 44 | K | A | -1.4224 | |
| 45 | V | A | 0.0000 | |
| 46 | F | A | -0.1586 | |
| 47 | N | A | -1.3140 | |
| 48 | G | A | 0.0000 | |
| 49 | D | A | -0.7631 | |
| 50 | N | A | -0.2910 | |
| 51 | G | A | 0.0000 | |
| 52 | N | A | 0.0000 | |
| 53 | V | A | 0.9156 | |
| 54 | A | A | 0.0000 | |
| 55 | C | A | 0.0000 | |
| 56 | D | A | -0.8379 | |
| 57 | S | A | 0.0000 | |
| 58 | Y | A | 0.0000 | |
| 59 | H | A | -1.9874 | |
| 60 | R | A | -2.8393 | |
| 61 | Y | A | -2.2210 | |
| 62 | E | A | -2.6484 | |
| 63 | E | A | -3.1405 | |
| 64 | D | A | 0.0000 | |
| 65 | I | A | 0.0000 | |
| 66 | R | A | -3.5806 | |
| 67 | L | A | -2.3206 | |
| 68 | M | A | 0.0000 | |
| 69 | K | A | -3.4075 | |
| 70 | E | A | -3.0672 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | -2.0364 | |
| 73 | I | A | 0.0000 | |
| 74 | R | A | -1.5496 | |
| 75 | T | A | 0.0000 | |
| 76 | Y | A | 0.0000 | |
| 77 | R | A | 0.0000 | |
| 78 | F | A | 0.0000 | |
| 79 | S | A | 0.0000 | |
| 80 | V | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | W | A | 0.0000 | |
| 83 | P | A | 0.0000 | |
| 84 | R | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | P | A | -0.8533 | |
| 88 | N | A | -1.5805 | |
| 89 | G | A | 0.0000 | |
| 90 | D | A | -2.0114 | |
| 91 | G | A | -1.8342 | |
| 92 | E | A | -2.1181 | |
| 93 | V | A | -1.0023 | |
| 94 | N | A | -1.8352 | |
| 95 | Q | A | -2.7423 | |
| 96 | E | A | -3.3346 | |
| 97 | G | A | 0.0000 | |
| 98 | L | A | 0.0000 | |
| 99 | D | A | -3.0912 | |
| 100 | Y | A | -2.1332 | |
| 101 | Y | A | 0.0000 | |
| 102 | H | A | -2.2623 | |
| 103 | R | A | -2.5900 | |
| 104 | V | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | D | A | -2.9885 | |
| 107 | L | A | -2.2864 | |
| 108 | L | A | 0.0000 | |
| 109 | N | A | -3.2695 | |
| 110 | D | A | -2.8871 | |
| 111 | N | A | 0.0000 | |
| 112 | G | A | -2.4129 | |
| 113 | I | A | 0.0000 | |
| 114 | E | A | -1.8328 | |
| 115 | P | A | 0.0000 | |
| 116 | F | A | 0.0000 | |
| 117 | C | A | 0.0000 | |
| 118 | T | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | Y | A | 0.0000 | |
| 121 | H | A | -0.1288 | |
| 122 | W | A | 0.0000 | |
| 123 | D | A | 0.0000 | |
| 124 | L | A | 0.0000 | |
| 125 | P | A | 0.0000 | |
| 126 | Q | A | -0.5736 | |
| 127 | A | A | -1.0291 | |
| 128 | L | A | 0.0000 | |
| 129 | Q | A | -1.4067 | |
| 130 | D | A | -1.9783 | |
| 131 | A | A | -1.6029 | |
| 132 | G | A | -1.6858 | |
| 133 | G | A | 0.0000 | |
| 134 | W | A | 0.0000 | |
| 135 | G | A | -1.3980 | |
| 136 | N | A | -2.4064 | |
| 137 | R | A | -3.3729 | |
| 138 | R | A | -3.4777 | |
| 139 | T | A | 0.0000 | |
| 140 | I | A | 0.0000 | |
| 141 | Q | A | -2.6154 | |
| 142 | A | A | 0.0000 | |
| 143 | F | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | Q | A | -1.7760 | |
| 146 | F | A | 0.0000 | |
| 147 | A | A | 0.0000 | |
| 148 | E | A | -1.3558 | |
| 149 | T | A | -1.2430 | |
| 150 | M | A | 0.0000 | |
| 151 | F | A | 0.0000 | |
| 152 | R | A | -2.5251 | |
| 153 | E | A | -1.9966 | |
| 154 | F | A | 0.0000 | |
| 155 | H | A | -1.7386 | |
| 156 | G | A | -1.4793 | |
| 157 | K | A | -2.0470 | |
| 158 | I | A | 0.0000 | |
| 159 | Q | A | -1.1501 | |
| 160 | H | A | -0.8501 | |
| 161 | W | A | 0.0000 | |
| 162 | L | A | 0.0000 | |
| 163 | T | A | 0.0000 | |
| 164 | F | A | 0.0000 | |
| 165 | N | A | 0.0000 | |
| 166 | E | A | -0.2131 | |
| 167 | P | A | 0.0000 | |
| 168 | W | A | 0.0819 | |
| 169 | C | A | 0.0000 | |
| 170 | I | A | 0.0000 | |
| 171 | A | A | 0.0000 | |
| 172 | F | A | 0.0000 | |
| 173 | L | A | 0.8745 | |
| 174 | S | A | 0.0000 | |
| 175 | N | A | 0.0000 | |
| 176 | M | A | 0.4382 | |
| 177 | L | A | 1.1436 | |
| 178 | G | A | 1.0506 | |
| 179 | V | A | 1.7505 | |
| 180 | H | A | 0.6641 | |
| 181 | A | A | 0.0000 | |
| 182 | P | A | 0.2136 | |
| 183 | G | A | 0.3808 | |
| 184 | L | A | 0.5841 | |
| 185 | T | A | 0.0698 | |
| 186 | N | A | -1.0507 | |
| 187 | L | A | -0.6047 | |
| 188 | Q | A | -0.9842 | |
| 189 | T | A | -0.7509 | |
| 190 | A | A | 0.0000 | |
| 191 | I | A | 0.0000 | |
| 192 | D | A | -0.8983 | |
| 193 | V | A | 0.0000 | |
| 194 | G | A | 0.0000 | |
| 195 | H | A | 0.0000 | |
| 196 | H | A | 0.0000 | |
| 197 | L | A | 0.0000 | |
| 198 | L | A | 0.0000 | |
| 199 | V | A | 0.0628 | |
| 200 | A | A | 0.0000 | |
| 201 | H | A | 0.0000 | |
| 202 | G | A | 0.0000 | |
| 203 | L | A | 0.0088 | |
| 204 | S | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | R | A | -1.5517 | |
| 207 | R | A | -1.6949 | |
| 208 | F | A | 0.0000 | |
| 209 | R | A | -2.3711 | |
| 210 | E | A | -2.6685 | |
| 211 | L | A | -1.7740 | |
| 212 | G | A | -1.7264 | |
| 213 | T | A | -1.4312 | |
| 214 | S | A | -0.8326 | |
| 215 | G | A | -1.1490 | |
| 216 | Q | A | -1.3532 | |
| 217 | I | A | 0.0000 | |
| 218 | G | A | 0.0000 | |
| 219 | I | A | 0.0000 | |
| 220 | A | A | 0.0000 | |
| 221 | P | A | 0.0000 | |
| 222 | N | A | -0.2051 | |
| 223 | V | A | 0.0000 | |
| 224 | S | A | 0.0475 | |
| 225 | W | A | -0.2083 | |
| 226 | A | A | 0.0000 | |
| 227 | V | A | 0.3522 | |
| 228 | P | A | -0.6110 | |
| 229 | Y | A | 0.6536 | |
| 230 | S | A | -0.4897 | |
| 231 | T | A | -1.1655 | |
| 232 | S | A | -2.0591 | |
| 233 | E | A | -3.4075 | |
| 234 | E | A | -3.4122 | |
| 235 | D | A | -2.3479 | |
| 236 | K | A | -2.8290 | |
| 237 | A | A | -2.0412 | |
| 238 | A | A | 0.0000 | |
| 239 | C | A | 0.0000 | |
| 240 | A | A | -0.5637 | |
| 241 | R | A | 0.0000 | |
| 242 | T | A | -0.1676 | |
| 243 | I | A | 0.0000 | |
| 244 | S | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | H | A | 0.0000 | |
| 247 | S | A | 0.0000 | |
| 248 | D | A | 0.0000 | |
| 249 | W | A | 0.0000 | |
| 250 | F | A | 0.0000 | |
| 251 | L | A | 0.0000 | |
| 252 | Q | A | -0.8745 | |
| 253 | P | A | 0.0000 | |
| 254 | I | A | 0.0000 | |
| 255 | Y | A | -1.1866 | |
| 256 | Q | A | -1.7796 | |
| 257 | G | A | -1.4173 | |
| 258 | S | A | -0.5568 | |
| 259 | Y | A | 0.0000 | |
| 260 | P | A | 0.0000 | |
| 261 | Q | A | -0.8311 | |
| 262 | F | A | 0.3477 | |
| 263 | L | A | 0.0000 | |
| 264 | V | A | -0.4374 | |
| 265 | D | A | -1.8587 | |
| 266 | W | A | -1.1328 | |
| 267 | F | A | 0.0000 | |
| 268 | A | A | -1.4761 | |
| 269 | E | A | -2.5007 | |
| 270 | Q | A | -1.7065 | |
| 271 | G | A | -1.4976 | |
| 272 | A | A | 0.0000 | |
| 273 | T | A | -0.4542 | |
| 274 | V | A | 0.0000 | |
| 275 | P | A | 0.4123 | |
| 276 | I | A | 1.1838 | |
| 277 | Q | A | -0.6949 | |
| 278 | D | A | -2.0405 | |
| 279 | G | A | -1.6223 | |
| 280 | D | A | -0.9643 | |
| 281 | M | A | -1.3454 | |
| 282 | D | A | -2.3269 | |
| 283 | I | A | -0.9120 | |
| 284 | I | A | 0.0000 | |
| 285 | G | A | -1.6379 | |
| 286 | E | A | -2.4726 | |
| 287 | P | A | -1.5164 | |
| 288 | I | A | -1.3408 | |
| 289 | D | A | -2.2352 | |
| 290 | M | A | 0.0000 | |
| 291 | I | A | 0.0000 | |
| 292 | G | A | 0.0000 | |
| 293 | I | A | 0.0000 | |
| 294 | N | A | 0.0000 | |
| 295 | Y | A | 0.0000 | |
| 296 | Y | A | 0.1734 | |
| 297 | S | A | 0.1351 | |
| 298 | M | A | 0.1237 | |
| 299 | S | A | -0.0397 | |
| 300 | V | A | 0.0000 | |
| 301 | N | A | 0.0000 | |
| 302 | R | A | -1.3018 | |
| 303 | F | A | -1.5319 | |
| 304 | N | A | -1.4657 | |
| 305 | P | A | -1.2533 | |
| 306 | E | A | -2.0478 | |
| 307 | A | A | -1.3404 | |
| 308 | G | A | -0.8584 | |
| 309 | F | A | -0.0725 | |
| 310 | L | A | 0.0000 | |
| 311 | Q | A | -0.9927 | |
| 312 | S | A | -1.4479 | |
| 313 | E | A | -1.7106 | |
| 314 | E | A | -2.0178 | |
| 315 | I | A | -1.0753 | |
| 316 | N | A | -1.3411 | |
| 317 | M | A | -0.1416 | |
| 318 | G | A | -0.2489 | |
| 319 | L | A | 0.3754 | |
| 320 | P | A | 0.4332 | |
| 321 | V | A | 1.0122 | |
| 322 | T | A | 0.0000 | |
| 323 | D | A | -0.9699 | |
| 324 | I | A | -0.4076 | |
| 325 | G | A | -0.0643 | |
| 326 | W | A | 0.6057 | |
| 327 | P | A | 0.6513 | |
| 328 | V | A | 0.4115 | |
| 329 | E | A | -0.7133 | |
| 330 | S | A | 0.0000 | |
| 331 | R | A | -2.3390 | |
| 332 | G | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | Y | A | -1.4482 | |
| 335 | E | A | -2.0839 | |
| 336 | V | A | 0.0000 | |
| 337 | L | A | 0.0000 | |
| 338 | H | A | -1.3612 | |
| 339 | Y | A | -0.8998 | |
| 340 | L | A | 0.0000 | |
| 341 | Q | A | -1.6243 | |
| 342 | K | A | -2.1497 | |
| 343 | Y | A | 0.0000 | |
| 344 | G | A | -1.7335 | |
| 345 | N | A | -1.9908 | |
| 346 | I | A | 0.0000 | |
| 347 | D | A | -1.5316 | |
| 348 | I | A | 0.0000 | |
| 349 | Y | A | -0.3605 | |
| 350 | I | A | 0.0000 | |
| 351 | T | A | 0.0000 | |
| 352 | E | A | -0.1695 | |
| 353 | N | A | 0.0000 | |
| 354 | G | A | -0.0730 | |
| 355 | A | A | 0.0000 | |
| 356 | C | A | 0.0000 | |
| 357 | I | A | 0.0000 | |
| 358 | N | A | -2.1948 | |
| 359 | D | A | -2.4096 | |
| 360 | E | A | -1.8698 | |
| 361 | V | A | -0.1037 | |
| 362 | V | A | 0.1239 | |
| 363 | N | A | -1.0500 | |
| 364 | G | A | -1.4038 | |
| 365 | K | A | -1.6733 | |
| 366 | V | A | -0.9652 | |
| 367 | Q | A | -1.4259 | |
| 368 | D | A | 0.0000 | |
| 369 | D | A | -1.9340 | |
| 370 | R | A | -1.6555 | |
| 371 | R | A | 0.0000 | |
| 372 | I | A | -0.7656 | |
| 373 | S | A | -0.9676 | |
| 374 | Y | A | 0.0000 | |
| 375 | M | A | 0.0000 | |
| 376 | Q | A | -1.2387 | |
| 377 | Q | A | -2.0842 | |
| 378 | H | A | 0.0000 | |
| 379 | L | A | 0.0000 | |
| 380 | V | A | 0.0000 | |
| 381 | Q | A | 0.0000 | |
| 382 | V | A | 0.0000 | |
| 383 | H | A | 0.0000 | |
| 384 | R | A | -1.8176 | |
| 385 | T | A | 0.0000 | |
| 386 | I | A | -1.2420 | |
| 387 | H | A | -1.9127 | |
| 388 | D | A | -1.8738 | |
| 389 | G | A | -1.3152 | |
| 390 | L | A | -1.3758 | |
| 391 | H | A | -1.5007 | |
| 392 | V | A | 0.0000 | |
| 393 | K | A | -1.4017 | |
| 394 | G | A | 0.0000 | |
| 395 | Y | A | 0.0000 | |
| 396 | M | A | 0.0000 | |
| 397 | A | A | 0.0000 | |
| 398 | W | A | 0.0000 | |
| 399 | S | A | 0.0000 | |
| 400 | L | A | 0.0000 | |
| 401 | L | A | 0.0000 | |
| 402 | D | A | 0.0000 | |
| 403 | N | A | 0.0000 | |
| 404 | F | A | 0.0000 | |
| 405 | E | A | -0.3635 | |
| 406 | W | A | 0.0000 | |
| 407 | A | A | -0.1010 | |
| 408 | E | A | -0.7291 | |
| 409 | G | A | 0.0000 | |
| 410 | Y | A | -0.5730 | |
| 411 | N | A | -0.6717 | |
| 412 | M | A | 0.0000 | |
| 413 | R | A | -0.9847 | |
| 414 | F | A | 0.0000 | |
| 415 | G | A | 0.0000 | |
| 416 | M | A | 0.0000 | |
| 417 | I | A | 0.0000 | |
| 418 | H | A | -0.2630 | |
| 419 | V | A | 0.0000 | |
| 420 | D | A | -0.8070 | |
| 421 | F | A | -0.7947 | |
| 422 | R | A | -1.7930 | |
| 423 | T | A | -0.7844 | |
| 424 | Q | A | -0.4571 | |
| 425 | V | A | 0.9667 | |
| 426 | R | A | 0.0572 | |
| 427 | T | A | -0.1787 | |
| 428 | P | A | -0.6137 | |
| 429 | K | A | 0.0000 | |
| 430 | E | A | -0.9046 | |
| 431 | S | A | 0.0000 | |
| 432 | Y | A | 0.0000 | |
| 433 | Y | A | -0.1656 | |
| 434 | W | A | -0.2594 | |
| 435 | Y | A | 0.0000 | |
| 436 | R | A | -0.7318 | |
| 437 | N | A | -0.7468 | |
| 438 | V | A | 0.0000 | |
| 439 | V | A | 0.0000 | |
| 440 | S | A | -0.7691 | |
| 441 | N | A | -1.1731 | |
| 442 | N | A | -1.1419 | |
| 443 | W | A | 0.0000 | |
| 444 | L | A | 0.0000 | |
| 445 | E | A | -2.2920 | |
| 446 | T | A | -2.4061 | |
| 447 | R | A | -3.2039 | |
| 448 | R | A | -3.0535 | |
| 2 | T | B | -0.5707 | |
| 3 | I | B | -0.3675 | |
| 4 | F | B | -0.3226 | |
| 5 | Q | B | -1.2714 | |
| 6 | F | B | 0.0000 | |
| 7 | P | B | -1.5572 | |
| 8 | Q | B | -2.2898 | |
| 9 | D | B | -2.6208 | |
| 10 | F | B | 0.0000 | |
| 11 | M | B | -1.0151 | |
| 12 | W | B | 0.0000 | |
| 13 | G | B | 0.0000 | |
| 14 | T | B | 0.0000 | |
| 15 | A | B | 0.0000 | |
| 16 | T | B | 0.0000 | |
| 17 | A | B | 0.0000 | |
| 18 | A | B | 0.0000 | |
| 19 | Y | B | 0.0000 | |
| 20 | Q | B | 0.0000 | |
| 21 | I | B | 0.0000 | |
| 22 | E | B | 0.0000 | |
| 23 | G | B | 0.4072 | |
| 24 | A | B | 0.0000 | |
| 25 | Y | B | -0.0792 | |
| 26 | Q | B | -1.6768 | |
| 27 | E | B | -2.4456 | |
| 28 | D | B | -2.7833 | |
| 29 | G | B | -2.0796 | |
| 30 | R | B | -1.0943 | |
| 31 | G | B | -0.4125 | |
| 32 | L | B | 0.4958 | |
| 33 | S | B | 0.0000 | |
| 34 | I | B | 0.0000 | |
| 35 | W | B | 0.0000 | |
| 36 | D | B | 0.0000 | |
| 37 | T | B | -0.3587 | |
| 38 | F | B | 0.0000 | |
| 39 | A | B | -0.8031 | |
| 40 | H | B | -1.3946 | |
| 41 | T | B | -0.8454 | |
| 42 | P | B | -1.0244 | |
| 43 | G | B | -0.8804 | |
| 44 | K | B | -0.8534 | |
| 45 | V | B | 0.0000 | |
| 46 | F | B | 0.3232 | |
| 47 | N | B | -1.2187 | |
| 48 | G | B | -1.2842 | |
| 49 | D | B | -1.0689 | |
| 50 | N | B | -0.5389 | |
| 51 | G | B | 0.0000 | |
| 52 | N | B | 0.0000 | |
| 53 | V | B | 1.6001 | |
| 54 | A | B | 0.0000 | |
| 55 | C | B | 0.0000 | |
| 56 | D | B | -0.2426 | |
| 57 | S | B | -0.8115 | |
| 58 | Y | B | 0.0000 | |
| 59 | H | B | -1.4378 | |
| 60 | R | B | -1.8709 | |
| 61 | Y | B | -1.8603 | |
| 62 | E | B | -2.6334 | |
| 63 | E | B | -3.1661 | |
| 64 | D | B | -2.4045 | |
| 65 | I | B | 0.0000 | |
| 66 | R | B | -3.4786 | |
| 67 | L | B | -2.3961 | |
| 68 | M | B | 0.0000 | |
| 69 | K | B | -3.0670 | |
| 70 | E | B | -2.9757 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | -1.8832 | |
| 73 | I | B | 0.0000 | |
| 74 | R | B | -1.3994 | |
| 75 | T | B | 0.0000 | |
| 76 | Y | B | -0.2356 | |
| 77 | R | B | 0.0000 | |
| 78 | F | B | 0.0000 | |
| 79 | S | B | 0.0000 | |
| 80 | V | B | 0.0000 | |
| 81 | S | B | 0.0000 | |
| 82 | W | B | 0.0000 | |
| 83 | P | B | 0.0000 | |
| 84 | R | B | 0.0000 | |
| 85 | I | B | 0.0000 | |
| 86 | F | B | 0.0000 | |
| 87 | P | B | -1.0886 | |
| 88 | N | B | -1.9256 | |
| 89 | G | B | -2.1225 | |
| 90 | D | B | -2.9598 | |
| 91 | G | B | -2.3522 | |
| 92 | E | B | -2.4785 | |
| 93 | V | B | -1.7277 | |
| 94 | N | B | -1.9566 | |
| 95 | Q | B | -2.7032 | |
| 96 | E | B | -3.2128 | |
| 97 | G | B | 0.0000 | |
| 98 | L | B | 0.0000 | |
| 99 | D | B | -2.4784 | |
| 100 | Y | B | 0.0000 | |
| 101 | Y | B | 0.0000 | |
| 102 | H | B | -2.1244 | |
| 103 | R | B | -2.6560 | |
| 104 | V | B | 0.0000 | |
| 105 | V | B | 0.0000 | |
| 106 | D | B | -3.0818 | |
| 107 | L | B | -2.2918 | |
| 108 | L | B | 0.0000 | |
| 109 | N | B | -2.8547 | |
| 110 | D | B | -2.7601 | |
| 111 | N | B | -2.3357 | |
| 112 | G | B | -2.1067 | |
| 113 | I | B | 0.0000 | |
| 114 | E | B | -1.3549 | |
| 115 | P | B | 0.0000 | |
| 116 | F | B | 0.0000 | |
| 117 | C | B | 0.0000 | |
| 118 | T | B | 0.0000 | |
| 119 | L | B | 0.0000 | |
| 120 | Y | B | 0.0000 | |
| 121 | H | B | 0.0000 | |
| 122 | W | B | 0.0000 | |
| 123 | D | B | 0.0000 | |
| 124 | L | B | 0.0000 | |
| 125 | P | B | 0.0000 | |
| 126 | Q | B | -0.8533 | |
| 127 | A | B | -1.4058 | |
| 128 | L | B | 0.0000 | |
| 129 | Q | B | -1.5972 | |
| 130 | D | B | -2.1485 | |
| 131 | A | B | -1.6787 | |
| 132 | G | B | -1.7035 | |
| 133 | G | B | 0.0000 | |
| 134 | W | B | 0.0000 | |
| 135 | G | B | -1.1635 | |
| 136 | N | B | -2.0814 | |
| 137 | R | B | -2.2202 | |
| 138 | R | B | -2.7644 | |
| 139 | T | B | 0.0000 | |
| 140 | I | B | 0.0000 | |
| 141 | Q | B | -1.9684 | |
| 142 | A | B | -1.8668 | |
| 143 | F | B | 0.0000 | |
| 144 | V | B | -0.8040 | |
| 145 | Q | B | -1.6869 | |
| 146 | F | B | 0.0000 | |
| 147 | A | B | 0.0000 | |
| 148 | E | B | -1.4097 | |
| 149 | T | B | 0.0000 | |
| 150 | M | B | 0.0000 | |
| 151 | F | B | 0.0000 | |
| 152 | R | B | -2.7393 | |
| 153 | E | B | -2.4652 | |
| 154 | F | B | 0.0000 | |
| 155 | H | B | -2.5471 | |
| 156 | G | B | -1.8213 | |
| 157 | K | B | -1.8961 | |
| 158 | I | B | 0.0000 | |
| 159 | Q | B | -1.3597 | |
| 160 | H | B | 0.0000 | |
| 161 | W | B | 0.0000 | |
| 162 | L | B | 0.0000 | |
| 163 | T | B | 0.0000 | |
| 164 | F | B | 0.0000 | |
| 165 | N | B | 0.0000 | |
| 166 | E | B | 0.0000 | |
| 167 | P | B | 0.0000 | |
| 168 | W | B | 0.1596 | |
| 169 | C | B | 0.0000 | |
| 170 | I | B | 0.0000 | |
| 171 | A | B | 0.0000 | |
| 172 | F | B | 0.0000 | |
| 173 | L | B | 0.9478 | |
| 174 | S | B | 0.0000 | |
| 175 | N | B | 0.0000 | |
| 176 | M | B | 0.5744 | |
| 177 | L | B | 1.2581 | |
| 178 | G | B | 1.0975 | |
| 179 | V | B | 1.4256 | |
| 180 | H | B | 0.6551 | |
| 181 | A | B | 0.0000 | |
| 182 | P | B | 0.1872 | |
| 183 | G | B | 0.5510 | |
| 184 | L | B | 0.8530 | |
| 185 | T | B | 0.2450 | |
| 186 | N | B | -0.9109 | |
| 187 | L | B | -0.4978 | |
| 188 | Q | B | -0.8968 | |
| 189 | T | B | -0.6065 | |
| 190 | A | B | 0.0000 | |
| 191 | I | B | 0.0000 | |
| 192 | D | B | -0.7679 | |
| 193 | V | B | 0.0000 | |
| 194 | G | B | 0.0000 | |
| 195 | H | B | 0.0000 | |
| 196 | H | B | 0.0000 | |
| 197 | L | B | 0.0000 | |
| 198 | L | B | 0.0000 | |
| 199 | V | B | 0.0000 | |
| 200 | A | B | 0.0000 | |
| 201 | H | B | 0.0000 | |
| 202 | G | B | 0.0000 | |
| 203 | L | B | -0.3532 | |
| 204 | S | B | 0.0000 | |
| 205 | V | B | 0.0000 | |
| 206 | R | B | -1.4561 | |
| 207 | R | B | -1.6360 | |
| 208 | F | B | 0.0000 | |
| 209 | R | B | -1.8265 | |
| 210 | E | B | -2.3016 | |
| 211 | L | B | -1.4103 | |
| 212 | G | B | -1.3878 | |
| 213 | T | B | 0.0000 | |
| 214 | S | B | -0.9422 | |
| 215 | G | B | -1.1734 | |
| 216 | Q | B | -0.8592 | |
| 217 | I | B | 0.0000 | |
| 218 | G | B | 0.0000 | |
| 219 | I | B | 0.0000 | |
| 220 | A | B | 0.0000 | |
| 221 | P | B | 0.0000 | |
| 222 | N | B | -0.2008 | |
| 223 | V | B | 0.0000 | |
| 224 | S | B | -0.0414 | |
| 225 | W | B | -0.1745 | |
| 226 | A | B | 0.0000 | |
| 227 | V | B | -0.0859 | |
| 228 | P | B | -0.8982 | |
| 229 | Y | B | -0.1988 | |
| 230 | S | B | -0.6792 | |
| 231 | T | B | -1.0245 | |
| 232 | S | B | -1.9895 | |
| 233 | E | B | -3.3297 | |
| 234 | E | B | -3.3105 | |
| 235 | D | B | 0.0000 | |
| 236 | K | B | -2.9053 | |
| 237 | A | B | -1.8750 | |
| 238 | A | B | 0.0000 | |
| 239 | C | B | 0.0000 | |
| 240 | A | B | -0.4401 | |
| 241 | R | B | 0.0000 | |
| 242 | T | B | -0.0126 | |
| 243 | I | B | 0.0000 | |
| 244 | S | B | 0.0000 | |
| 245 | L | B | 0.0000 | |
| 246 | H | B | -0.1066 | |
| 247 | S | B | 0.0000 | |
| 248 | D | B | 0.0000 | |
| 249 | W | B | 0.0000 | |
| 250 | F | B | 0.0000 | |
| 251 | L | B | 0.0000 | |
| 252 | Q | B | -0.7071 | |
| 253 | P | B | 0.0000 | |
| 254 | I | B | 0.0000 | |
| 255 | Y | B | -0.9174 | |
| 256 | Q | B | -1.3836 | |
| 257 | G | B | -1.2252 | |
| 258 | S | B | -0.7315 | |
| 259 | Y | B | 0.0000 | |
| 260 | P | B | -0.4703 | |
| 261 | Q | B | -1.0272 | |
| 262 | F | B | 0.0341 | |
| 263 | L | B | 0.0000 | |
| 264 | V | B | -0.8029 | |
| 265 | D | B | -2.0330 | |
| 266 | W | B | -1.2494 | |
| 267 | F | B | 0.0000 | |
| 268 | A | B | -1.5191 | |
| 269 | E | B | -2.5186 | |
| 270 | Q | B | -1.6795 | |
| 271 | G | B | -1.4534 | |
| 272 | A | B | 0.0000 | |
| 273 | T | B | -0.2989 | |
| 274 | V | B | 0.0000 | |
| 275 | P | B | 0.2046 | |
| 276 | I | B | 0.9410 | |
| 277 | Q | B | -1.1525 | |
| 278 | D | B | -2.2865 | |
| 279 | G | B | -1.6467 | |
| 280 | D | B | 0.0000 | |
| 281 | M | B | -1.4894 | |
| 282 | D | B | -2.0330 | |
| 283 | I | B | -0.6103 | |
| 284 | I | B | 0.0000 | |
| 285 | G | B | -1.4192 | |
| 286 | E | B | -1.9980 | |
| 287 | P | B | -1.0545 | |
| 288 | I | B | 0.0000 | |
| 289 | D | B | -1.0463 | |
| 290 | M | B | 0.0000 | |
| 291 | I | B | 0.0000 | |
| 292 | G | B | 0.0000 | |
| 293 | I | B | 0.0000 | |
| 294 | N | B | 0.0000 | |
| 295 | Y | B | 0.0000 | |
| 296 | Y | B | 0.0013 | |
| 297 | S | B | -0.0925 | |
| 298 | M | B | 0.0000 | |
| 299 | S | B | -0.4742 | |
| 300 | V | B | 0.0000 | |
| 301 | N | B | 0.0000 | |
| 302 | R | B | -1.7028 | |
| 303 | F | B | -1.7930 | |
| 304 | N | B | -1.6811 | |
| 305 | P | B | -1.4089 | |
| 306 | E | B | -2.1961 | |
| 307 | A | B | -1.7919 | |
| 308 | G | B | -0.9394 | |
| 309 | F | B | -0.2113 | |
| 310 | L | B | -0.1190 | |
| 311 | Q | B | -1.1231 | |
| 312 | S | B | -1.6243 | |
| 313 | E | B | -2.3449 | |
| 314 | E | B | -2.2696 | |
| 315 | I | B | -1.1154 | |
| 316 | N | B | -1.1487 | |
| 317 | M | B | 0.2855 | |
| 318 | G | B | -0.0453 | |
| 319 | L | B | 0.1427 | |
| 320 | P | B | 0.2146 | |
| 321 | V | B | 1.1897 | |
| 322 | T | B | 0.0000 | |
| 323 | D | B | -0.4160 | |
| 324 | I | B | -0.0901 | |
| 325 | G | B | 0.1371 | |
| 326 | W | B | 0.6994 | |
| 327 | P | B | 0.2766 | |
| 328 | V | B | 0.0000 | |
| 329 | E | B | -1.4956 | |
| 330 | S | B | 0.0000 | |
| 331 | R | B | -2.1465 | |
| 332 | G | B | 0.0000 | |
| 333 | L | B | 0.0000 | |
| 334 | Y | B | -0.7395 | |
| 335 | E | B | -0.6853 | |
| 336 | V | B | 0.0000 | |
| 337 | L | B | 0.0000 | |
| 338 | H | B | -0.8874 | |
| 339 | Y | B | -0.4527 | |
| 340 | L | B | 0.0000 | |
| 341 | Q | B | -1.5712 | |
| 342 | K | B | -2.0929 | |
| 343 | Y | B | 0.0000 | |
| 344 | G | B | -1.6526 | |
| 345 | N | B | -1.8610 | |
| 346 | I | B | -0.9445 | |
| 347 | D | B | -1.2446 | |
| 348 | I | B | 0.0000 | |
| 349 | Y | B | 0.0000 | |
| 350 | I | B | 0.0000 | |
| 351 | T | B | 0.0000 | |
| 352 | E | B | 0.0000 | |
| 353 | N | B | 0.0000 | |
| 354 | G | B | -0.0509 | |
| 355 | A | B | 0.0000 | |
| 356 | C | B | 0.0000 | |
| 357 | I | B | 0.0000 | |
| 358 | N | B | -1.5108 | |
| 359 | D | B | -1.7593 | |
| 360 | E | B | -1.4859 | |
| 361 | V | B | 0.1772 | |
| 362 | V | B | 0.1671 | |
| 363 | N | B | -1.0132 | |
| 364 | G | B | -0.9903 | |
| 365 | K | B | -1.5366 | |
| 366 | V | B | -0.7077 | |
| 367 | Q | B | -1.4627 | |
| 368 | D | B | 0.0000 | |
| 369 | D | B | -2.1431 | |
| 370 | R | B | -1.4816 | |
| 371 | R | B | 0.0000 | |
| 372 | I | B | -0.9003 | |
| 373 | S | B | -1.1983 | |
| 374 | Y | B | -0.6046 | |
| 375 | M | B | 0.0000 | |
| 376 | Q | B | 0.0000 | |
| 377 | Q | B | -1.5885 | |
| 378 | H | B | 0.0000 | |
| 379 | L | B | 0.0000 | |
| 380 | V | B | -0.5291 | |
| 381 | Q | B | -0.9645 | |
| 382 | V | B | 0.0000 | |
| 383 | H | B | -1.1426 | |
| 384 | R | B | -1.7780 | |
| 385 | T | B | 0.0000 | |
| 386 | I | B | -1.3733 | |
| 387 | H | B | -2.2065 | |
| 388 | D | B | -2.7015 | |
| 389 | G | B | -1.8360 | |
| 390 | L | B | -1.5499 | |
| 391 | H | B | -1.5380 | |
| 392 | V | B | 0.0000 | |
| 393 | K | B | -1.4464 | |
| 394 | G | B | 0.0000 | |
| 395 | Y | B | 0.0000 | |
| 396 | M | B | 0.0000 | |
| 397 | A | B | 0.0000 | |
| 398 | W | B | 0.0000 | |
| 399 | S | B | 0.0000 | |
| 400 | L | B | 0.0000 | |
| 401 | L | B | 0.0000 | |
| 402 | D | B | 0.0000 | |
| 403 | N | B | 0.0000 | |
| 404 | F | B | 0.0000 | |
| 405 | E | B | -0.4698 | |
| 406 | W | B | 0.0000 | |
| 407 | A | B | -0.2210 | |
| 408 | E | B | -0.8629 | |
| 409 | G | B | 0.0000 | |
| 410 | Y | B | -0.9024 | |
| 411 | N | B | -1.5248 | |
| 412 | M | B | -0.8130 | |
| 413 | R | B | -0.7565 | |
| 414 | F | B | 0.0000 | |
| 415 | G | B | 0.0000 | |
| 416 | M | B | 0.0000 | |
| 417 | I | B | 0.0000 | |
| 418 | H | B | -0.7090 | |
| 419 | V | B | 0.0000 | |
| 420 | D | B | -2.0079 | |
| 421 | F | B | 0.0000 | |
| 422 | R | B | -1.4945 | |
| 423 | T | B | -0.7739 | |
| 424 | Q | B | -0.7249 | |
| 425 | V | B | 0.4460 | |
| 426 | R | B | -0.4459 | |
| 427 | T | B | -0.3030 | |
| 428 | P | B | -0.4843 | |
| 429 | K | B | 0.0000 | |
| 430 | E | B | -1.1790 | |
| 431 | S | B | 0.0000 | |
| 432 | Y | B | 0.0000 | |
| 433 | Y | B | -0.7088 | |
| 434 | W | B | -0.4382 | |
| 435 | Y | B | 0.0000 | |
| 436 | R | B | -1.7920 | |
| 437 | N | B | -1.4185 | |
| 438 | V | B | 0.0000 | |
| 439 | V | B | 0.0000 | |
| 440 | S | B | -1.0762 | |
| 441 | N | B | 0.0000 | |
| 442 | N | B | -1.2351 | |
| 443 | W | B | 0.0000 | |
| 444 | L | B | 0.0000 | |
| 445 | E | B | -1.5599 | |
| 446 | T | B | -1.7633 | |
| 447 | R | B | -2.6416 | |
| 448 | R | B | -2.7502 | |
| 2 | T | C | -1.4061 | |
| 3 | I | C | -0.8142 | |
| 4 | F | C | -0.7606 | |
| 5 | Q | C | -1.5149 | |
| 6 | F | C | 0.0000 | |
| 7 | P | C | -1.5491 | |
| 8 | Q | C | -2.3898 | |
| 9 | D | C | -2.5373 | |
| 10 | F | C | 0.0000 | |
| 11 | M | C | -0.8494 | |
| 12 | W | C | 0.0000 | |
| 13 | G | C | 0.0000 | |
| 14 | T | C | 0.0000 | |
| 15 | A | C | 0.0000 | |
| 16 | T | C | 0.0000 | |
| 17 | A | C | 0.0000 | |
| 18 | A | C | 0.0000 | |
| 19 | Y | C | 0.2137 | |
| 20 | Q | C | 0.0000 | |
| 21 | I | C | 0.0000 | |
| 22 | E | C | 0.0000 | |
| 23 | G | C | 0.0000 | |
| 24 | A | C | 0.0000 | |
| 25 | Y | C | -0.4419 | |
| 26 | Q | C | -1.9260 | |
| 27 | E | C | -2.6542 | |
| 28 | D | C | -3.0668 | |
| 29 | G | C | -2.1968 | |
| 30 | R | C | 0.0000 | |
| 31 | G | C | -0.8082 | |
| 32 | L | C | 0.0462 | |
| 33 | S | C | 0.0000 | |
| 34 | I | C | 0.0000 | |
| 35 | W | C | 0.0000 | |
| 36 | D | C | 0.0000 | |
| 37 | T | C | -0.0856 | |
| 38 | F | C | -0.1397 | |
| 39 | A | C | -1.0144 | |
| 40 | H | C | -1.2141 | |
| 41 | T | C | -0.8503 | |
| 42 | P | C | -1.2030 | |
| 43 | G | C | -1.6210 | |
| 44 | K | C | -1.9923 | |
| 45 | V | C | -1.4543 | |
| 46 | F | C | -0.5294 | |
| 47 | N | C | -1.5777 | |
| 48 | G | C | 0.0000 | |
| 49 | D | C | -1.2925 | |
| 50 | N | C | -1.5325 | |
| 51 | G | C | -0.8760 | |
| 52 | N | C | -0.3975 | |
| 53 | V | C | 0.4381 | |
| 54 | A | C | 0.0000 | |
| 55 | C | C | 0.0000 | |
| 56 | D | C | -0.6412 | |
| 57 | S | C | 0.0000 | |
| 58 | Y | C | -0.9860 | |
| 59 | H | C | -1.9753 | |
| 60 | R | C | -3.0272 | |
| 61 | Y | C | 0.0000 | |
| 62 | E | C | -2.8054 | |
| 63 | E | C | -3.4626 | |
| 64 | D | C | 0.0000 | |
| 65 | I | C | 0.0000 | |
| 66 | R | C | -3.4156 | |
| 67 | L | C | -2.3370 | |
| 68 | M | C | 0.0000 | |
| 69 | K | C | -2.6936 | |
| 70 | E | C | -2.9085 | |
| 71 | L | C | 0.0000 | |
| 72 | G | C | -1.8341 | |
| 73 | I | C | 0.0000 | |
| 74 | R | C | -1.0962 | |
| 75 | T | C | 0.0000 | |
| 76 | Y | C | 0.0000 | |
| 77 | R | C | 0.0000 | |
| 78 | F | C | 0.0000 | |
| 79 | S | C | 0.0000 | |
| 80 | V | C | 0.0000 | |
| 81 | S | C | 0.0000 | |
| 82 | W | C | 0.0000 | |
| 83 | P | C | 0.0000 | |
| 84 | R | C | 0.0000 | |
| 85 | I | C | 0.0000 | |
| 86 | F | C | 0.0000 | |
| 87 | P | C | -1.3127 | |
| 88 | N | C | -1.9815 | |
| 89 | G | C | 0.0000 | |
| 90 | D | C | -2.9449 | |
| 91 | G | C | -2.3760 | |
| 92 | E | C | -2.4828 | |
| 93 | V | C | -1.5337 | |
| 94 | N | C | -2.0843 | |
| 95 | Q | C | -2.9458 | |
| 96 | E | C | -3.5078 | |
| 97 | G | C | 0.0000 | |
| 98 | L | C | 0.0000 | |
| 99 | D | C | -3.1877 | |
| 100 | Y | C | 0.0000 | |
| 101 | Y | C | 0.0000 | |
| 102 | H | C | -2.1455 | |
| 103 | R | C | -2.8820 | |
| 104 | V | C | 0.0000 | |
| 105 | V | C | 0.0000 | |
| 106 | D | C | -3.2135 | |
| 107 | L | C | -2.5080 | |
| 108 | L | C | 0.0000 | |
| 109 | N | C | -3.3099 | |
| 110 | D | C | -3.0262 | |
| 111 | N | C | -2.7446 | |
| 112 | G | C | -2.1318 | |
| 113 | I | C | 0.0000 | |
| 114 | E | C | -1.7570 | |
| 115 | P | C | 0.0000 | |
| 116 | F | C | 0.0000 | |
| 117 | C | C | 0.0000 | |
| 118 | T | C | 0.0000 | |
| 119 | L | C | 0.0000 | |
| 120 | Y | C | 0.0000 | |
| 121 | H | C | 0.0000 | |
| 122 | W | C | 0.0000 | |
| 123 | D | C | 0.0000 | |
| 124 | L | C | 0.0000 | |
| 125 | P | C | 0.0000 | |
| 126 | Q | C | -1.0427 | |
| 127 | A | C | -1.4746 | |
| 128 | L | C | 0.0000 | |
| 129 | Q | C | -1.6505 | |
| 130 | D | C | -2.1347 | |
| 131 | A | C | -1.6821 | |
| 132 | G | C | -1.7869 | |
| 133 | G | C | 0.0000 | |
| 134 | W | C | 0.0000 | |
| 135 | G | C | -1.6752 | |
| 136 | N | C | -2.1625 | |
| 137 | R | C | -3.0548 | |
| 138 | R | C | -2.6787 | |
| 139 | T | C | 0.0000 | |
| 140 | I | C | 0.0000 | |
| 141 | Q | C | -2.3557 | |
| 142 | A | C | -2.0947 | |
| 143 | F | C | 0.0000 | |
| 144 | V | C | -1.0250 | |
| 145 | Q | C | -1.7250 | |
| 146 | F | C | 0.0000 | |
| 147 | A | C | 0.0000 | |
| 148 | E | C | -1.5316 | |
| 149 | T | C | -1.2646 | |
| 150 | M | C | 0.0000 | |
| 151 | F | C | 0.0000 | |
| 152 | R | C | -2.5714 | |
| 153 | E | C | -2.0152 | |
| 154 | F | C | 0.0000 | |
| 155 | H | C | -1.8840 | |
| 156 | G | C | -1.5285 | |
| 157 | K | C | -2.0429 | |
| 158 | I | C | 0.0000 | |
| 159 | Q | C | -1.0077 | |
| 160 | H | C | -0.6665 | |
| 161 | W | C | 0.0000 | |
| 162 | L | C | 0.0000 | |
| 163 | T | C | 0.0000 | |
| 164 | F | C | 0.0000 | |
| 165 | N | C | 0.0000 | |
| 166 | E | C | 0.0000 | |
| 167 | P | C | 0.0000 | |
| 168 | W | C | 0.1519 | |
| 169 | C | C | 0.4458 | |
| 170 | I | C | 0.0000 | |
| 171 | A | C | 0.0000 | |
| 172 | F | C | 0.0000 | |
| 173 | L | C | 1.0839 | |
| 174 | S | C | 0.0000 | |
| 175 | N | C | 0.0000 | |
| 176 | M | C | 0.5473 | |
| 177 | L | C | 1.3084 | |
| 178 | G | C | 1.0804 | |
| 179 | V | C | 1.8152 | |
| 180 | H | C | 0.8766 | |
| 181 | A | C | 0.0000 | |
| 182 | P | C | 0.2268 | |
| 183 | G | C | 0.7422 | |
| 184 | L | C | 0.9356 | |
| 185 | T | C | 0.1836 | |
| 186 | N | C | -0.8481 | |
| 187 | L | C | -0.8100 | |
| 188 | Q | C | -1.5354 | |
| 189 | T | C | -1.0864 | |
| 190 | A | C | 0.0000 | |
| 191 | I | C | 0.0000 | |
| 192 | D | C | -1.4499 | |
| 193 | V | C | 0.0000 | |
| 194 | G | C | 0.0000 | |
| 195 | H | C | 0.0000 | |
| 196 | H | C | -0.9279 | |
| 197 | L | C | 0.0000 | |
| 198 | L | C | 0.0000 | |
| 199 | V | C | 0.0000 | |
| 200 | A | C | 0.0000 | |
| 201 | H | C | 0.0000 | |
| 202 | G | C | 0.0000 | |
| 203 | L | C | -0.1292 | |
| 204 | S | C | 0.0000 | |
| 205 | V | C | 0.0000 | |
| 206 | R | C | -1.3254 | |
| 207 | R | C | -1.7593 | |
| 208 | F | C | 0.0000 | |
| 209 | R | C | -1.9150 | |
| 210 | E | C | -2.3401 | |
| 211 | L | C | -1.5358 | |
| 212 | G | C | -1.4090 | |
| 213 | T | C | -0.8545 | |
| 214 | S | C | -0.6193 | |
| 215 | G | C | -0.8904 | |
| 216 | Q | C | -0.7018 | |
| 217 | I | C | 0.0000 | |
| 218 | G | C | 0.0000 | |
| 219 | I | C | 0.0000 | |
| 220 | A | C | 0.0000 | |
| 221 | P | C | 0.0000 | |
| 222 | N | C | -0.1746 | |
| 223 | V | C | 0.0000 | |
| 224 | S | C | -0.0770 | |
| 225 | W | C | -0.2639 | |
| 226 | A | C | 0.0000 | |
| 227 | V | C | -0.2985 | |
| 228 | P | C | -0.7632 | |
| 229 | Y | C | 0.5394 | |
| 230 | S | C | -0.5351 | |
| 231 | T | C | -1.0058 | |
| 232 | S | C | -1.9071 | |
| 233 | E | C | -3.2311 | |
| 234 | E | C | -3.3342 | |
| 235 | D | C | -2.3486 | |
| 236 | K | C | -2.5468 | |
| 237 | A | C | -1.8531 | |
| 238 | A | C | 0.0000 | |
| 239 | C | C | 0.0000 | |
| 240 | A | C | -0.5220 | |
| 241 | R | C | 0.0000 | |
| 242 | T | C | -0.0331 | |
| 243 | I | C | 0.0000 | |
| 244 | S | C | 0.0000 | |
| 245 | L | C | 0.0000 | |
| 246 | H | C | -0.1185 | |
| 247 | S | C | 0.0000 | |
| 248 | D | C | 0.0000 | |
| 249 | W | C | 0.0000 | |
| 250 | F | C | 0.0000 | |
| 251 | L | C | 0.0000 | |
| 252 | Q | C | -0.5201 | |
| 253 | P | C | 0.0000 | |
| 254 | I | C | 0.0000 | |
| 255 | Y | C | -0.8209 | |
| 256 | Q | C | -1.3914 | |
| 257 | G | C | -1.2636 | |
| 258 | S | C | -0.5581 | |
| 259 | Y | C | 0.0000 | |
| 260 | P | C | 0.0000 | |
| 261 | Q | C | -1.0278 | |
| 262 | F | C | 0.0326 | |
| 263 | L | C | 0.0000 | |
| 264 | V | C | -0.5373 | |
| 265 | D | C | -2.0480 | |
| 266 | W | C | -1.2844 | |
| 267 | F | C | 0.0000 | |
| 268 | A | C | -1.6897 | |
| 269 | E | C | -2.6124 | |
| 270 | Q | C | -1.8747 | |
| 271 | G | C | -1.6362 | |
| 272 | A | C | 0.0000 | |
| 273 | T | C | -0.7103 | |
| 274 | V | C | -0.0935 | |
| 275 | P | C | 0.3045 | |
| 276 | I | C | 0.8128 | |
| 277 | Q | C | -1.3141 | |
| 278 | D | C | -2.4118 | |
| 279 | G | C | -1.9265 | |
| 280 | D | C | -1.5552 | |
| 281 | M | C | -1.6063 | |
| 282 | D | C | -2.3017 | |
| 283 | I | C | -0.8981 | |
| 284 | I | C | 0.0000 | |
| 285 | G | C | -1.0683 | |
| 286 | E | C | -1.0410 | |
| 287 | P | C | -0.5807 | |
| 288 | I | C | -0.4924 | |
| 289 | D | C | -0.9292 | |
| 290 | M | C | 0.0000 | |
| 291 | I | C | 0.0000 | |
| 292 | G | C | 0.0000 | |
| 293 | I | C | 0.0000 | |
| 294 | N | C | 0.0000 | |
| 295 | Y | C | 0.0000 | |
| 296 | Y | C | 0.1276 | |
| 297 | S | C | -0.0633 | |
| 298 | M | C | 0.0000 | |
| 299 | S | C | -0.3754 | |
| 300 | V | C | 0.0000 | |
| 301 | N | C | 0.0000 | |
| 302 | R | C | -1.5811 | |
| 303 | F | C | -1.6324 | |
| 304 | N | C | -1.6285 | |
| 305 | P | C | -1.3143 | |
| 306 | E | C | -2.1126 | |
| 307 | A | C | -1.4139 | |
| 308 | G | C | -1.0054 | |
| 309 | F | C | -0.1294 | |
| 310 | L | C | 0.0000 | |
| 311 | Q | C | -0.8971 | |
| 312 | S | C | -1.5235 | |
| 313 | E | C | -1.9616 | |
| 314 | E | C | -2.1109 | |
| 315 | I | C | -1.1006 | |
| 316 | N | C | -1.2400 | |
| 317 | M | C | 0.0212 | |
| 318 | G | C | -0.0902 | |
| 319 | L | C | 0.3450 | |
| 320 | P | C | 0.2664 | |
| 321 | V | C | 0.7387 | |
| 322 | T | C | 0.0000 | |
| 323 | D | C | -0.5978 | |
| 324 | I | C | 0.0885 | |
| 325 | G | C | 0.1631 | |
| 326 | W | C | 0.4993 | |
| 327 | P | C | 0.3707 | |
| 328 | V | C | -0.1581 | |
| 329 | E | C | -0.9309 | |
| 330 | S | C | 0.0000 | |
| 331 | R | C | -1.8237 | |
| 332 | G | C | 0.0000 | |
| 333 | L | C | 0.0000 | |
| 334 | Y | C | -0.8303 | |
| 335 | E | C | -1.0398 | |
| 336 | V | C | 0.0000 | |
| 337 | L | C | 0.0000 | |
| 338 | H | C | -0.9728 | |
| 339 | Y | C | -0.5347 | |
| 340 | L | C | 0.0000 | |
| 341 | Q | C | -1.7420 | |
| 342 | K | C | -2.0565 | |
| 343 | Y | C | 0.0000 | |
| 344 | G | C | -1.6694 | |
| 345 | N | C | -1.8763 | |
| 346 | I | C | -1.2095 | |
| 347 | D | C | -1.2058 | |
| 348 | I | C | 0.0000 | |
| 349 | Y | C | 0.0000 | |
| 350 | I | C | 0.0000 | |
| 351 | T | C | 0.0000 | |
| 352 | E | C | 0.0000 | |
| 353 | N | C | 0.0000 | |
| 354 | G | C | 0.0303 | |
| 355 | A | C | 0.0000 | |
| 356 | C | C | 0.0000 | |
| 357 | I | C | 0.0000 | |
| 358 | N | C | -1.7798 | |
| 359 | D | C | -2.4928 | |
| 360 | E | C | -1.7413 | |
| 361 | V | C | 0.0861 | |
| 362 | V | C | 0.5090 | |
| 363 | N | C | -0.6721 | |
| 364 | G | C | -0.6239 | |
| 365 | K | C | -0.6628 | |
| 366 | V | C | 0.0000 | |
| 367 | Q | C | -1.6348 | |
| 368 | D | C | 0.0000 | |
| 369 | D | C | -2.5126 | |
| 370 | R | C | -1.8099 | |
| 371 | R | C | 0.0000 | |
| 372 | I | C | -0.9907 | |
| 373 | S | C | -1.0304 | |
| 374 | Y | C | 0.0000 | |
| 375 | M | C | 0.0000 | |
| 376 | Q | C | -0.9437 | |
| 377 | Q | C | -1.3906 | |
| 378 | H | C | 0.0000 | |
| 379 | L | C | 0.0000 | |
| 380 | V | C | 0.0000 | |
| 381 | Q | C | -0.9717 | |
| 382 | V | C | 0.0000 | |
| 383 | H | C | -1.2337 | |
| 384 | R | C | -1.7143 | |
| 385 | T | C | 0.0000 | |
| 386 | I | C | -1.1040 | |
| 387 | H | C | -2.0404 | |
| 388 | D | C | -2.3839 | |
| 389 | G | C | -1.4832 | |
| 390 | L | C | -1.2390 | |
| 391 | H | C | -1.2386 | |
| 392 | V | C | 0.0000 | |
| 393 | K | C | -1.1297 | |
| 394 | G | C | 0.0000 | |
| 395 | Y | C | 0.0000 | |
| 396 | M | C | 0.0000 | |
| 397 | A | C | 0.0000 | |
| 398 | W | C | 0.0000 | |
| 399 | S | C | 0.0000 | |
| 400 | L | C | 0.0000 | |
| 401 | L | C | 0.0000 | |
| 402 | D | C | 0.0000 | |
| 403 | N | C | 0.0000 | |
| 404 | F | C | 0.0000 | |
| 405 | E | C | -1.1221 | |
| 406 | W | C | -0.5655 | |
| 407 | A | C | 0.0000 | |
| 408 | E | C | -2.1895 | |
| 409 | G | C | 0.0000 | |
| 410 | Y | C | -0.9761 | |
| 411 | N | C | -1.4964 | |
| 412 | M | C | -0.9643 | |
| 413 | R | C | -0.9220 | |
| 414 | F | C | 0.0000 | |
| 415 | G | C | 0.0000 | |
| 416 | M | C | 0.0000 | |
| 417 | I | C | 0.0000 | |
| 418 | H | C | -0.3335 | |
| 419 | V | C | 0.0000 | |
| 420 | D | C | -0.7395 | |
| 421 | F | C | -0.7201 | |
| 422 | R | C | -1.3638 | |
| 423 | T | C | -0.5142 | |
| 424 | Q | C | -0.1124 | |
| 425 | V | C | 0.7898 | |
| 426 | R | C | -0.0751 | |
| 427 | T | C | -0.1739 | |
| 428 | P | C | -0.1315 | |
| 429 | K | C | 0.0000 | |
| 430 | E | C | -0.7774 | |
| 431 | S | C | 0.0000 | |
| 432 | Y | C | 0.0000 | |
| 433 | Y | C | -0.3389 | |
| 434 | W | C | -0.2383 | |
| 435 | Y | C | 0.0000 | |
| 436 | R | C | -1.3446 | |
| 437 | N | C | -1.0762 | |
| 438 | V | C | 0.0000 | |
| 439 | V | C | 0.0000 | |
| 440 | S | C | -0.9584 | |
| 441 | N | C | -1.3133 | |
| 442 | N | C | -1.4478 | |
| 443 | W | C | 0.0000 | |
| 444 | L | C | 0.0000 | |
| 445 | E | C | -2.5595 | |
| 446 | T | C | 0.0000 | |
| 447 | R | C | -3.1142 | |
| 448 | R | C | -2.9439 | |
| 2 | T | D | -1.0577 | |
| 3 | I | D | -0.6907 | |
| 4 | F | D | 0.0000 | |
| 5 | Q | D | -1.2355 | |
| 6 | F | D | 0.0000 | |
| 7 | P | D | -1.5058 | |
| 8 | Q | D | -2.2314 | |
| 9 | D | D | -2.5536 | |
| 10 | F | D | 0.0000 | |
| 11 | M | D | -1.1021 | |
| 12 | W | D | 0.0000 | |
| 13 | G | D | 0.0000 | |
| 14 | T | D | 0.0000 | |
| 15 | A | D | 0.0000 | |
| 16 | T | D | 0.0000 | |
| 17 | A | D | 0.0000 | |
| 18 | A | D | -0.0588 | |
| 19 | Y | D | 0.0000 | |
| 20 | Q | D | 0.0000 | |
| 21 | I | D | 0.0000 | |
| 22 | E | D | 0.0000 | |
| 23 | G | D | -0.8407 | |
| 24 | A | D | 0.0000 | |
| 25 | Y | D | 0.0000 | |
| 26 | Q | D | -2.2447 | |
| 27 | E | D | -3.0233 | |
| 28 | D | D | -2.9079 | |
| 29 | G | D | -2.0061 | |
| 30 | R | D | 0.0000 | |
| 31 | G | D | -0.6504 | |
| 32 | L | D | 0.4722 | |
| 33 | S | D | 0.0000 | |
| 34 | I | D | 0.0000 | |
| 35 | W | D | 0.0000 | |
| 36 | D | D | 0.0000 | |
| 37 | T | D | -0.1571 | |
| 38 | F | D | -0.4478 | |
| 39 | A | D | -0.7890 | |
| 40 | H | D | -1.2710 | |
| 41 | T | D | -0.8664 | |
| 42 | P | D | -0.7550 | |
| 43 | G | D | -1.0907 | |
| 44 | K | D | -1.2689 | |
| 45 | V | D | 0.0000 | |
| 46 | F | D | 0.3034 | |
| 47 | N | D | -1.2272 | |
| 48 | G | D | 0.0000 | |
| 49 | D | D | -0.9019 | |
| 50 | N | D | -0.9861 | |
| 51 | G | D | -0.4530 | |
| 52 | N | D | -0.7764 | |
| 53 | V | D | -0.4509 | |
| 54 | A | D | 0.0000 | |
| 55 | C | D | 0.0000 | |
| 56 | D | D | -0.9074 | |
| 57 | S | D | -1.4887 | |
| 58 | Y | D | 0.0000 | |
| 59 | H | D | -1.9238 | |
| 60 | R | D | -2.8769 | |
| 61 | Y | D | -1.9209 | |
| 62 | E | D | -2.3830 | |
| 63 | E | D | -3.3602 | |
| 64 | D | D | 0.0000 | |
| 65 | I | D | 0.0000 | |
| 66 | R | D | -3.3084 | |
| 67 | L | D | -2.2172 | |
| 68 | M | D | 0.0000 | |
| 69 | K | D | -3.5704 | |
| 70 | E | D | -2.8562 | |
| 71 | L | D | 0.0000 | |
| 72 | G | D | -2.3921 | |
| 73 | I | D | 0.0000 | |
| 74 | R | D | -2.4657 | |
| 75 | T | D | 0.0000 | |
| 76 | Y | D | -0.3737 | |
| 77 | R | D | 0.0000 | |
| 78 | F | D | 0.0000 | |
| 79 | S | D | -0.0531 | |
| 80 | V | D | 0.0000 | |
| 81 | S | D | -0.0536 | |
| 82 | W | D | 0.0000 | |
| 83 | P | D | 0.0000 | |
| 84 | R | D | 0.0000 | |
| 85 | I | D | 0.0000 | |
| 86 | F | D | 0.0000 | |
| 87 | P | D | -1.2170 | |
| 88 | N | D | -2.0319 | |
| 89 | G | D | -2.3008 | |
| 90 | D | D | -3.1249 | |
| 91 | G | D | -2.3608 | |
| 92 | E | D | -2.5582 | |
| 93 | V | D | -1.4376 | |
| 94 | N | D | -1.9664 | |
| 95 | Q | D | -2.7938 | |
| 96 | E | D | -3.1802 | |
| 97 | G | D | 0.0000 | |
| 98 | L | D | -1.9919 | |
| 99 | D | D | -3.0721 | |
| 100 | Y | D | -2.0738 | |
| 101 | Y | D | 0.0000 | |
| 102 | H | D | -1.9695 | |
| 103 | R | D | -2.5999 | |
| 104 | V | D | -1.6011 | |
| 105 | V | D | 0.0000 | |
| 106 | D | D | -2.8330 | |
| 107 | L | D | -2.0089 | |
| 108 | L | D | 0.0000 | |
| 109 | N | D | -3.2575 | |
| 110 | D | D | -2.8455 | |
| 111 | N | D | -2.6739 | |
| 112 | G | D | -2.3180 | |
| 113 | I | D | 0.0000 | |
| 114 | E | D | -1.8983 | |
| 115 | P | D | 0.0000 | |
| 116 | F | D | 0.0000 | |
| 117 | C | D | 0.0000 | |
| 118 | T | D | 0.0000 | |
| 119 | L | D | 0.0000 | |
| 120 | Y | D | 0.0000 | |
| 121 | H | D | -0.3060 | |
| 122 | W | D | 0.0000 | |
| 123 | D | D | 0.0000 | |
| 124 | L | D | 0.0000 | |
| 125 | P | D | 0.0000 | |
| 126 | Q | D | -0.7461 | |
| 127 | A | D | -1.2010 | |
| 128 | L | D | 0.0000 | |
| 129 | Q | D | -1.3663 | |
| 130 | D | D | -2.0811 | |
| 131 | A | D | -1.6166 | |
| 132 | G | D | -1.6799 | |
| 133 | G | D | 0.0000 | |
| 134 | W | D | 0.0000 | |
| 135 | G | D | -1.4651 | |
| 136 | N | D | -2.3380 | |
| 137 | R | D | -3.0324 | |
| 138 | R | D | -3.3461 | |
| 139 | T | D | 0.0000 | |
| 140 | I | D | 0.0000 | |
| 141 | Q | D | -2.3533 | |
| 142 | A | D | 0.0000 | |
| 143 | F | D | 0.0000 | |
| 144 | V | D | 0.0000 | |
| 145 | Q | D | -1.9282 | |
| 146 | F | D | 0.0000 | |
| 147 | A | D | 0.0000 | |
| 148 | E | D | -1.8221 | |
| 149 | T | D | -1.4545 | |
| 150 | M | D | 0.0000 | |
| 151 | F | D | 0.0000 | |
| 152 | R | D | -2.6634 | |
| 153 | E | D | -2.2212 | |
| 154 | F | D | 0.0000 | |
| 155 | H | D | -1.9390 | |
| 156 | G | D | -1.5596 | |
| 157 | K | D | -1.8466 | |
| 158 | I | D | 0.0000 | |
| 159 | Q | D | -1.0045 | |
| 160 | H | D | -0.7096 | |
| 161 | W | D | 0.0000 | |
| 162 | L | D | 0.0000 | |
| 163 | T | D | 0.0000 | |
| 164 | F | D | 0.0000 | |
| 165 | N | D | -0.4198 | |
| 166 | E | D | -0.5669 | |
| 167 | P | D | 0.0000 | |
| 168 | W | D | 0.0812 | |
| 169 | C | D | 0.0000 | |
| 170 | I | D | 0.0846 | |
| 171 | A | D | 0.0000 | |
| 172 | F | D | 0.0000 | |
| 173 | L | D | 1.1472 | |
| 174 | S | D | 0.0000 | |
| 175 | N | D | 0.0000 | |
| 176 | M | D | 0.7213 | |
| 177 | L | D | 1.6568 | |
| 178 | G | D | 1.2660 | |
| 179 | V | D | 2.0115 | |
| 180 | H | D | 0.8175 | |
| 181 | A | D | 0.2383 | |
| 182 | P | D | 0.0851 | |
| 183 | G | D | 0.4827 | |
| 184 | L | D | 0.7443 | |
| 185 | T | D | 0.3087 | |
| 186 | N | D | -0.8004 | |
| 187 | L | D | 0.0000 | |
| 188 | Q | D | -0.2608 | |
| 189 | T | D | -0.4495 | |
| 190 | A | D | 0.0000 | |
| 191 | I | D | 0.0000 | |
| 192 | D | D | -0.5323 | |
| 193 | V | D | 0.0000 | |
| 194 | G | D | 0.0000 | |
| 195 | H | D | 0.0000 | |
| 196 | H | D | -0.6671 | |
| 197 | L | D | 0.0000 | |
| 198 | L | D | 0.0000 | |
| 199 | V | D | 0.0000 | |
| 200 | A | D | 0.0000 | |
| 201 | H | D | 0.0000 | |
| 202 | G | D | 0.0000 | |
| 203 | L | D | -0.6174 | |
| 204 | S | D | 0.0000 | |
| 205 | V | D | 0.0000 | |
| 206 | R | D | -2.8748 | |
| 207 | R | D | -2.4027 | |
| 208 | F | D | 0.0000 | |
| 209 | R | D | -2.2598 | |
| 210 | E | D | -2.7553 | |
| 211 | L | D | -1.7858 | |
| 212 | G | D | -1.5137 | |
| 213 | T | D | -1.1003 | |
| 214 | S | D | -0.6657 | |
| 215 | G | D | -0.9005 | |
| 216 | Q | D | -0.7978 | |
| 217 | I | D | 0.0000 | |
| 218 | G | D | 0.0000 | |
| 219 | I | D | 0.0000 | |
| 220 | A | D | 0.0000 | |
| 221 | P | D | 0.0000 | |
| 222 | N | D | -0.3311 | |
| 223 | V | D | 0.0000 | |
| 224 | S | D | 0.1046 | |
| 225 | W | D | 0.0209 | |
| 226 | A | D | 0.0000 | |
| 227 | V | D | 0.2077 | |
| 228 | P | D | -0.7853 | |
| 229 | Y | D | 0.3245 | |
| 230 | S | D | -0.6092 | |
| 231 | T | D | -0.9204 | |
| 232 | S | D | -1.9714 | |
| 233 | E | D | -3.3462 | |
| 234 | E | D | -3.3717 | |
| 235 | D | D | 0.0000 | |
| 236 | K | D | -2.8371 | |
| 237 | A | D | -1.9484 | |
| 238 | A | D | 0.0000 | |
| 239 | C | D | 0.0000 | |
| 240 | A | D | -0.4394 | |
| 241 | R | D | 0.0000 | |
| 242 | T | D | 0.0198 | |
| 243 | I | D | 0.0000 | |
| 244 | S | D | 0.0000 | |
| 245 | L | D | 0.0000 | |
| 246 | H | D | 0.0000 | |
| 247 | S | D | 0.0000 | |
| 248 | D | D | 0.0000 | |
| 249 | W | D | 0.0000 | |
| 250 | F | D | 0.0000 | |
| 251 | L | D | 0.0000 | |
| 252 | Q | D | -0.4848 | |
| 253 | P | D | 0.0000 | |
| 254 | I | D | 0.0000 | |
| 255 | Y | D | -0.9656 | |
| 256 | Q | D | -1.6265 | |
| 257 | G | D | -1.5245 | |
| 258 | S | D | -1.0255 | |
| 259 | Y | D | -0.2128 | |
| 260 | P | D | -0.4674 | |
| 261 | Q | D | -0.7979 | |
| 262 | F | D | 0.3026 | |
| 263 | L | D | 0.0000 | |
| 264 | V | D | -0.4979 | |
| 265 | D | D | -1.8385 | |
| 266 | W | D | -1.0414 | |
| 267 | F | D | 0.0000 | |
| 268 | A | D | -1.2788 | |
| 269 | E | D | -2.5038 | |
| 270 | Q | D | -1.6783 | |
| 271 | G | D | -1.2310 | |
| 272 | A | D | -0.4053 | |
| 273 | T | D | 0.5693 | |
| 274 | V | D | 1.5750 | |
| 275 | P | D | 0.6167 | |
| 276 | I | D | 0.0477 | |
| 277 | Q | D | -1.6403 | |
| 278 | D | D | -2.7141 | |
| 279 | G | D | -2.1652 | |
| 280 | D | D | -1.7309 | |
| 281 | M | D | 0.0000 | |
| 282 | D | D | -2.4742 | |
| 283 | I | D | -0.9956 | |
| 284 | I | D | 0.0000 | |
| 285 | G | D | -1.6326 | |
| 286 | E | D | -2.4287 | |
| 287 | P | D | -0.9919 | |
| 288 | I | D | 0.0000 | |
| 289 | D | D | -1.0911 | |
| 290 | M | D | 0.0000 | |
| 291 | I | D | 0.0621 | |
| 292 | G | D | 0.0000 | |
| 293 | I | D | 0.0000 | |
| 294 | N | D | 0.0000 | |
| 295 | Y | D | 0.0000 | |
| 296 | Y | D | 0.2152 | |
| 297 | S | D | 0.0689 | |
| 298 | M | D | 0.0000 | |
| 299 | S | D | -0.1007 | |
| 300 | V | D | 0.0194 | |
| 301 | N | D | 0.0000 | |
| 302 | R | D | -1.6815 | |
| 303 | F | D | -1.8201 | |
| 304 | N | D | -1.6278 | |
| 305 | P | D | -1.2559 | |
| 306 | E | D | -2.0936 | |
| 307 | A | D | -1.6288 | |
| 308 | G | D | -0.7389 | |
| 309 | F | D | 0.0423 | |
| 310 | L | D | -0.1272 | |
| 311 | Q | D | -0.8639 | |
| 312 | S | D | -1.4554 | |
| 313 | E | D | -1.8315 | |
| 314 | E | D | -2.0248 | |
| 315 | I | D | -0.9964 | |
| 316 | N | D | -0.9504 | |
| 317 | M | D | 0.3558 | |
| 318 | G | D | -0.1070 | |
| 319 | L | D | 0.2808 | |
| 320 | P | D | -0.0348 | |
| 321 | V | D | 0.2749 | |
| 322 | T | D | 0.0000 | |
| 323 | D | D | -0.8591 | |
| 324 | I | D | 0.0962 | |
| 325 | G | D | -0.1007 | |
| 326 | W | D | 0.4867 | |
| 327 | P | D | 0.3090 | |
| 328 | V | D | -0.0441 | |
| 329 | E | D | -0.6545 | |
| 330 | S | D | 0.0000 | |
| 331 | R | D | -1.3801 | |
| 332 | G | D | 0.0000 | |
| 333 | L | D | 0.0000 | |
| 334 | Y | D | -0.8072 | |
| 335 | E | D | -1.0183 | |
| 336 | V | D | 0.0000 | |
| 337 | L | D | 0.0000 | |
| 338 | H | D | -1.0344 | |
| 339 | Y | D | -0.5196 | |
| 340 | L | D | -0.7989 | |
| 341 | Q | D | -1.5962 | |
| 342 | K | D | -2.0443 | |
| 343 | Y | D | -1.1219 | |
| 344 | G | D | -1.3047 | |
| 345 | N | D | -1.8143 | |
| 346 | I | D | -0.8153 | |
| 347 | D | D | -1.1161 | |
| 348 | I | D | 0.0000 | |
| 349 | Y | D | -0.2564 | |
| 350 | I | D | 0.0000 | |
| 351 | T | D | 0.0000 | |
| 352 | E | D | 0.0000 | |
| 353 | N | D | 0.0000 | |
| 354 | G | D | 0.1035 | |
| 355 | A | D | 0.0000 | |
| 356 | C | D | 0.0000 | |
| 357 | I | D | 0.0000 | |
| 358 | N | D | -2.3051 | |
| 359 | D | D | -2.6398 | |
| 360 | E | D | -1.7442 | |
| 361 | V | D | 0.4851 | |
| 362 | V | D | 0.5306 | |
| 363 | N | D | -0.7549 | |
| 364 | G | D | -0.8462 | |
| 365 | K | D | -1.0853 | |
| 366 | V | D | -0.0650 | |
| 367 | Q | D | -0.9483 | |
| 368 | D | D | 0.0000 | |
| 369 | D | D | -1.5366 | |
| 370 | R | D | -1.1656 | |
| 371 | R | D | 0.0000 | |
| 372 | I | D | -0.7709 | |
| 373 | S | D | -0.9873 | |
| 374 | Y | D | 0.0000 | |
| 375 | M | D | 0.0000 | |
| 376 | Q | D | 0.0000 | |
| 377 | Q | D | -1.4390 | |
| 378 | H | D | 0.0000 | |
| 379 | L | D | 0.0000 | |
| 380 | V | D | -0.8559 | |
| 381 | Q | D | -1.0888 | |
| 382 | V | D | 0.0000 | |
| 383 | H | D | -1.2325 | |
| 384 | R | D | -1.6504 | |
| 385 | T | D | 0.0000 | |
| 386 | I | D | -1.3124 | |
| 387 | H | D | -2.0054 | |
| 388 | D | D | -2.3177 | |
| 389 | G | D | -1.5625 | |
| 390 | L | D | -1.4889 | |
| 391 | H | D | -1.4192 | |
| 392 | V | D | 0.0000 | |
| 393 | K | D | -1.4115 | |
| 394 | G | D | 0.0000 | |
| 395 | Y | D | 0.0000 | |
| 396 | M | D | 0.0000 | |
| 397 | A | D | 0.0000 | |
| 398 | W | D | 0.1184 | |
| 399 | S | D | 0.0000 | |
| 400 | L | D | 0.0000 | |
| 401 | L | D | 0.0000 | |
| 402 | D | D | 0.0000 | |
| 403 | N | D | 0.0000 | |
| 404 | F | D | 0.0000 | |
| 405 | E | D | -0.5305 | |
| 406 | W | D | -0.0680 | |
| 407 | A | D | -0.3549 | |
| 408 | E | D | -0.7848 | |
| 409 | G | D | 0.0000 | |
| 410 | Y | D | -0.6040 | |
| 411 | N | D | -1.1902 | |
| 412 | M | D | -0.8510 | |
| 413 | R | D | -1.1059 | |
| 414 | F | D | 0.0000 | |
| 415 | G | D | 0.0000 | |
| 416 | M | D | 0.0000 | |
| 417 | I | D | 0.0000 | |
| 418 | H | D | -0.7941 | |
| 419 | V | D | 0.0000 | |
| 420 | D | D | -1.3243 | |
| 421 | F | D | -1.0311 | |
| 422 | R | D | -1.7787 | |
| 423 | T | D | -1.0521 | |
| 424 | Q | D | -1.2485 | |
| 425 | V | D | 0.3088 | |
| 426 | R | D | -0.3441 | |
| 427 | T | D | -0.2823 | |
| 428 | P | D | -0.2760 | |
| 429 | K | D | 0.0000 | |
| 430 | E | D | -0.6812 | |
| 431 | S | D | 0.0000 | |
| 432 | Y | D | 0.0000 | |
| 433 | Y | D | -0.4830 | |
| 434 | W | D | -0.2864 | |
| 435 | Y | D | 0.0000 | |
| 436 | R | D | -1.0288 | |
| 437 | N | D | -1.0032 | |
| 438 | V | D | 0.0000 | |
| 439 | V | D | -0.5612 | |
| 440 | S | D | -0.8671 | |
| 441 | N | D | -1.0872 | |
| 442 | N | D | -1.0709 | |
| 443 | W | D | -0.8413 | |
| 444 | L | D | 0.0000 | |
| 445 | E | D | -2.2904 | |
| 446 | T | D | -2.0657 | |
| 447 | R | D | -3.0102 | |
| 448 | R | D | -2.8661 |
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 | -0.4405 | 3.2072 | View | CSV | PDB |
| 4.5 | -0.5008 | 3.0984 | View | CSV | PDB |
| 5.0 | -0.5764 | 2.9933 | View | CSV | PDB |
| 5.5 | -0.6561 | 2.9435 | View | CSV | PDB |
| 6.0 | -0.7292 | 2.8932 | View | CSV | PDB |
| 6.5 | -0.7881 | 2.8428 | View | CSV | PDB |
| 7.0 | -0.8304 | 2.7928 | View | CSV | PDB |
| 7.5 | -0.8597 | 2.7438 | View | CSV | PDB |
| 8.0 | -0.8809 | 2.698 | View | CSV | PDB |
| 8.5 | -0.8951 | 2.6731 | View | CSV | PDB |
| 9.0 | -0.9005 | 2.7521 | 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