| Chain sequence(s) |
A: MGSSHHHHHHSQDPTSLAYVDALCALDHPYRADSACDQLFDAAMRELTRYHCEHTPGYHQWLRANGLDDQTLEKMNDWSRLPPIFANYFKHQLLLSTTGQDALELTSSGTTGQKSRMRYDTRSIQAAQNMVERIFEYYGWNTPQQPCNYLLLSYEPAGAITLGTAYTDQYLCKYAPVNQACYALRHNGKGNEFDPFGVIRALQEFAVQGLPVRMLGFPAFLWFALERMQEMGLPPIQLHPESLVFLGGGWKTHADKAIPRSLLYQRLGEQLGIPDERCRDGYGSVEHPVPYVECRHHHFHVPTYARAYIRDTANMAVQPYGKPGFLHLTSPYITSSPAHSIVVSDLAVLHSAVECGCGLATDWFELLGRAGTSKSRSCAIAASELIKES
C: MYLVNGKIISDLEPDAVLAELKSSLADTLAYPPSVQQVLDCAGRFADSLETIASELALDTATIAALRGFCRRDLLEAKLRHELGEQPFSLRRFDYTQPRFEAWQPLGLVVHITPANAPLLPFMAVLESLLVGNVNWLRPSSSDHGLNAQLLVEFLRHDLSGKLAPYVSVLPLPSDQLSTLLECADAVSAWGSNTALTAIRSQLRPGCRWIDWGHRISFTYLDPESAGNTDYDALADDVCRFDQQACSSPQCLLVDSTDENVLREVASAVASALARRAPVWPALQPDIQEAAEISSQMAFLQLDHTFAGLTGSFEEGDGWRVAWVQRQELAPSPLYRTLQIRPAPRARLVEILLPWRPYLQSCALIAETNELPMLSRQLLAAGVSRVCQAGAMHDGYEGEPHDGVYALTRLARRVSVSLKAEQLPGHVTLDKLAVNPPELAGVPVMDKEKFQQNGVTSKAQVFFRSGGSSGTPKLAGFSHRDYHSQMQAAADGLFSAGLDPAQDRVMNLLYGSNLYGGLLSFFTILDKLSVPHYPMGGPINDDFSQIRHFIVTQRVNTLIGMPSTIYQLFEREGAALRAYGGVRKIFAGGEHISEERRQFLSSFGIQVIRSAIYGSVDAGPLGHACTCCHDGEFHLLSDIQWLEILALDSDQPIQPGETGRLVFTPLAREGQVIQRYDLGDLGHWLPGLCACGLPAPRFRLVGRHGTLIRVGSIFVNPTELSAGLAFPVQWLIGNHAGGGEYIHVLAEGDVNQVRGHLMQHKMLNQVVSGGMLQLEIIPTPAGQFRRHPQSGKTPLVLDSRT B: MGSSHHHHHHSQDPTSLAYVDALCALDHPYRADSACDQLFDAAMRELTRYHCEHTPGYHQWLRANGLDDQTLEKMNDWSRLPPIFANYFKHQLLLSTTGQDALELTSSGTTGQKSRMRYDTRSIQAAQNMVERIFEYYGWNTPQQPCNYLLLSYEPAGAITLGTAYTDQYLCKYAPVNQACYALRHNGKGNEFDPFGVIRALQEFAVQGLPVRMLGFPAFLWFALERMQEMGLPPIQLHPESLVFLGGGWKTHADKAIPRSLLYQRLGEQLGIPDERCRDGYGSVEHPVPYVECRHHHFHVPTYARAYIRDTANMAVQPYGKPGFLHLTSPYITSSPAHSIVVSDLAVLHSAVECGCGLATDWFELLGRAGTSKSRSCAIAASELIKES D: MYLVNGKIISDLEPDAVLAELKSSLADTLAYPPSVQQVLDCAGRFADSLETIASELALDTATIAALRGFCRRDLLEAKLRHELGEQPFSLRRFDYTQPRFEAWQPLGLVVHITPANAPLLPFMAVLESLLVGNVNWLRPSSSDHGLNAQLLVEFLRHDLSGKLAPYVSVLPLPSDQLSTLLECADAVSAWGSNTALTAIRSQLRPGCRWIDWGHRISFTYLDPESAGNTDYDALADDVCRFDQQACSSPQCLLVDSTDENVLREVASAVASALARRAPVWPALQPDIQEAAEISSQMAFLQLDHTFAGLTGSFEEGDGWRVAWVQRQELAPSPLYRTLQIRPAPRARLVEILLPWRPYLQSCALIAETNELPMLSRQLLAAGVSRVCQAGAMHDGYEGEPHDGVYALTRLARRVSVSLKAEQLPGHVTLDKLAVNPPELAGVPVMDKEKFQQNGVTSKAQVFFRSGGSSGTPKLAGFSHRDYHSQMQAAADGLFSAGLDPAQDRVMNLLYGSNLYGGLLSFFTILDKLSVPHYPMGGPINDDFSQIRHFIVTQRVNTLIGMPSTIYQLFEREGAALRAYGGVRKIFAGGEHISEERRQFLSSFGIQVIRSAIYGSVDAGPLGHACTCCHDGEFHLLSDIQWLEILALDSDQPIQPGETGRLVFTPLAREGQVIQRYDLGDLGHWLPGLCACGLPAPRFRLVGRHGTLIRVGSIFVNPTELSAGLAFPVQWLIGNHAGGGEYIHVLAEGDVNQVRGHLMQHKMLNQVVSGGMLQLEIIPTPAGQFRRHPQSGKTPLVLDSRT input PDB |
| Selected Chain(s) | A,B,C,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[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. (00:00:20)
[INFO] FoldX: Starting FoldX energy minimization (00:00:20)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:47:34)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/612908e194c6a0/tmp/folded.pdb (00:47:34)
[INFO] Main: Simulation completed successfully. (01:19:36)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 0.7447 | |
| 2 | G | A | -0.2460 | |
| 3 | S | A | -0.6995 | |
| 4 | S | A | -1.2116 | |
| 5 | H | A | -2.1210 | |
| 6 | H | A | -2.4802 | |
| 7 | H | A | -2.6958 | |
| 8 | H | A | -2.7189 | |
| 9 | H | A | -2.6176 | |
| 10 | H | A | -2.6329 | |
| 11 | S | A | -2.2418 | |
| 12 | Q | A | -2.7012 | |
| 13 | D | A | -2.7402 | |
| 14 | P | A | -1.9353 | |
| 15 | T | A | -0.9709 | |
| 16 | S | A | -0.9199 | |
| 17 | L | A | 0.0000 | |
| 18 | A | A | -0.1827 | |
| 19 | Y | A | 0.6783 | |
| 20 | V | A | 0.0000 | |
| 21 | D | A | -0.7977 | |
| 22 | A | A | 0.0370 | |
| 23 | L | A | 0.0000 | |
| 24 | C | A | -0.5974 | |
| 25 | A | A | -0.6235 | |
| 26 | L | A | -1.0189 | |
| 27 | D | A | -2.2060 | |
| 28 | H | A | -1.4150 | |
| 29 | P | A | 0.0000 | |
| 30 | Y | A | 0.0000 | |
| 31 | R | A | -1.0509 | |
| 32 | A | A | -0.8710 | |
| 33 | D | A | -1.3909 | |
| 34 | S | A | -1.2876 | |
| 35 | A | A | -1.0446 | |
| 36 | C | A | 0.0000 | |
| 37 | D | A | -2.1329 | |
| 38 | Q | A | -1.8782 | |
| 39 | L | A | -0.4900 | |
| 40 | F | A | 0.0000 | |
| 41 | D | A | -1.7382 | |
| 42 | A | A | -0.9211 | |
| 43 | A | A | 0.0000 | |
| 44 | M | A | 0.0000 | |
| 45 | R | A | -1.5633 | |
| 46 | E | A | -0.8713 | |
| 47 | L | A | 0.0000 | |
| 48 | T | A | 0.0000 | |
| 49 | R | A | -2.4881 | |
| 50 | Y | A | -1.4384 | |
| 51 | H | A | 0.0000 | |
| 52 | C | A | -1.9130 | |
| 53 | E | A | -2.3967 | |
| 54 | H | A | -1.4083 | |
| 55 | T | A | 0.0000 | |
| 56 | P | A | -0.8776 | |
| 57 | G | A | -1.0504 | |
| 58 | Y | A | 0.0000 | |
| 59 | H | A | -2.3447 | |
| 60 | Q | A | -2.1859 | |
| 61 | W | A | 0.0000 | |
| 62 | L | A | 0.0000 | |
| 63 | R | A | -3.1090 | |
| 64 | A | A | -1.8218 | |
| 65 | N | A | -1.8880 | |
| 66 | G | A | -1.9052 | |
| 67 | L | A | 0.0000 | |
| 68 | D | A | -2.8867 | |
| 69 | D | A | -3.4117 | |
| 70 | Q | A | -3.0661 | |
| 71 | T | A | -2.5781 | |
| 72 | L | A | 0.0000 | |
| 73 | E | A | -3.9342 | |
| 74 | K | A | -3.5052 | |
| 75 | M | A | 0.0000 | |
| 76 | N | A | -3.1484 | |
| 77 | D | A | -2.4906 | |
| 78 | W | A | 0.0000 | |
| 79 | S | A | 0.0000 | |
| 80 | R | A | -2.2582 | |
| 81 | L | A | 0.0000 | |
| 82 | P | A | 0.0000 | |
| 83 | P | A | -0.3574 | |
| 84 | I | A | 0.0000 | |
| 85 | F | A | 0.0000 | |
| 86 | A | A | 0.0000 | |
| 87 | N | A | -1.2168 | |
| 88 | Y | A | 0.0000 | |
| 89 | F | A | 0.0000 | |
| 90 | K | A | -1.9084 | |
| 91 | H | A | -1.7031 | |
| 92 | Q | A | -0.7338 | |
| 93 | L | A | -0.1833 | |
| 94 | L | A | 0.0000 | |
| 95 | L | A | -0.3079 | |
| 96 | S | A | 0.0000 | |
| 97 | T | A | -0.9264 | |
| 98 | T | A | -0.9949 | |
| 99 | G | A | 0.0000 | |
| 100 | Q | A | -2.0191 | |
| 101 | D | A | -2.3614 | |
| 102 | A | A | -1.1848 | |
| 103 | L | A | -0.1995 | |
| 104 | E | A | -0.7242 | |
| 105 | L | A | 0.0000 | |
| 106 | T | A | 0.0000 | |
| 107 | S | A | -0.7957 | |
| 108 | S | A | -0.3829 | |
| 109 | G | A | -0.8992 | |
| 110 | T | A | -0.6034 | |
| 111 | T | A | -0.8990 | |
| 112 | G | A | -1.3344 | |
| 113 | Q | A | -2.1549 | |
| 114 | K | A | -2.0588 | |
| 115 | S | A | 0.0000 | |
| 116 | R | A | -1.7524 | |
| 117 | M | A | 0.0000 | |
| 118 | R | A | -0.9425 | |
| 119 | Y | A | 0.0000 | |
| 120 | D | A | -0.9957 | |
| 121 | T | A | -0.6393 | |
| 122 | R | A | -1.1892 | |
| 123 | S | A | 0.0000 | |
| 124 | I | A | -0.6673 | |
| 125 | Q | A | -1.4842 | |
| 126 | A | A | 0.0000 | |
| 127 | A | A | -0.6258 | |
| 128 | Q | A | -0.9032 | |
| 129 | N | A | -1.2104 | |
| 130 | M | A | 0.0000 | |
| 131 | V | A | -0.6399 | |
| 132 | E | A | -1.5644 | |
| 133 | R | A | -1.6187 | |
| 134 | I | A | 0.0000 | |
| 135 | F | A | 0.0000 | |
| 136 | E | A | -2.1691 | |
| 137 | Y | A | -0.7045 | |
| 138 | Y | A | -0.6292 | |
| 139 | G | A | -0.9678 | |
| 140 | W | A | 0.0000 | |
| 141 | N | A | -1.6305 | |
| 142 | T | A | -1.4010 | |
| 143 | P | A | -1.2349 | |
| 144 | Q | A | -1.5943 | |
| 145 | Q | A | -0.9834 | |
| 146 | P | A | -0.5246 | |
| 147 | C | A | 0.0000 | |
| 148 | N | A | 0.0000 | |
| 149 | Y | A | 0.0000 | |
| 150 | L | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | S | A | 0.0000 | |
| 154 | Y | A | -0.1196 | |
| 155 | E | A | -0.7702 | |
| 156 | P | A | -0.3644 | |
| 157 | A | A | -0.5937 | |
| 158 | G | A | -0.3841 | |
| 159 | A | A | 0.1117 | |
| 160 | I | A | 0.4367 | |
| 161 | T | A | 0.2110 | |
| 162 | L | A | 0.2453 | |
| 163 | G | A | 0.0588 | |
| 164 | T | A | 0.0383 | |
| 165 | A | A | 0.0000 | |
| 166 | Y | A | 0.3960 | |
| 167 | T | A | 0.0969 | |
| 168 | D | A | 0.0000 | |
| 169 | Q | A | -0.5932 | |
| 170 | Y | A | -0.4482 | |
| 171 | L | A | 0.0000 | |
| 172 | C | A | -0.5906 | |
| 173 | K | A | -1.6466 | |
| 174 | Y | A | 0.0000 | |
| 175 | A | A | 0.0000 | |
| 176 | P | A | -0.5884 | |
| 177 | V | A | 0.3604 | |
| 178 | N | A | -0.5139 | |
| 179 | Q | A | -1.0128 | |
| 180 | A | A | -0.2858 | |
| 181 | C | A | 0.0000 | |
| 182 | Y | A | -0.0828 | |
| 183 | A | A | 0.0000 | |
| 184 | L | A | 0.0000 | |
| 185 | R | A | -0.8248 | |
| 186 | H | A | -1.3104 | |
| 187 | N | A | -1.5988 | |
| 188 | G | A | -1.7795 | |
| 189 | K | A | -2.2526 | |
| 190 | G | A | -1.5655 | |
| 191 | N | A | -1.4257 | |
| 192 | E | A | -1.0958 | |
| 193 | F | A | -0.1191 | |
| 194 | D | A | 0.0000 | |
| 195 | P | A | 0.0000 | |
| 196 | F | A | 0.0000 | |
| 197 | G | A | 0.0000 | |
| 198 | V | A | 0.0000 | |
| 199 | I | A | 0.0000 | |
| 200 | R | A | -2.4466 | |
| 201 | A | A | 0.0000 | |
| 202 | L | A | 0.0000 | |
| 203 | Q | A | -1.7630 | |
| 204 | E | A | -1.5429 | |
| 205 | F | A | 0.0000 | |
| 206 | A | A | -0.5734 | |
| 207 | V | A | 0.6797 | |
| 208 | Q | A | -0.2431 | |
| 209 | G | A | -0.3379 | |
| 210 | L | A | -0.4235 | |
| 211 | P | A | 0.0000 | |
| 212 | V | A | 0.0000 | |
| 213 | R | A | 0.0000 | |
| 214 | M | A | 0.0000 | |
| 215 | L | A | 0.0000 | |
| 216 | G | A | 0.0000 | |
| 217 | F | A | 0.0000 | |
| 218 | P | A | 0.0000 | |
| 219 | A | A | -0.5499 | |
| 220 | F | A | 0.1100 | |
| 221 | L | A | 0.0000 | |
| 222 | W | A | 0.0000 | |
| 223 | F | A | 0.0944 | |
| 224 | A | A | 0.0000 | |
| 225 | L | A | 0.0000 | |
| 226 | E | A | -1.5169 | |
| 227 | R | A | 0.0000 | |
| 228 | M | A | 0.0000 | |
| 229 | Q | A | -2.1188 | |
| 230 | E | A | -2.4957 | |
| 231 | M | A | -1.5237 | |
| 232 | G | A | -1.1534 | |
| 233 | L | A | -0.3808 | |
| 234 | P | A | -0.4558 | |
| 235 | P | A | -1.2045 | |
| 236 | I | A | -0.7957 | |
| 237 | Q | A | -1.5452 | |
| 238 | L | A | 0.0000 | |
| 239 | H | A | -1.2050 | |
| 240 | P | A | -1.5721 | |
| 241 | E | A | -2.0489 | |
| 242 | S | A | 0.0000 | |
| 243 | L | A | 0.0000 | |
| 244 | V | A | 0.0000 | |
| 245 | F | A | 0.0000 | |
| 246 | L | A | 0.0000 | |
| 247 | G | A | -0.4143 | |
| 248 | G | A | -0.8866 | |
| 249 | G | A | -0.9059 | |
| 250 | W | A | -1.3641 | |
| 251 | K | A | -2.8462 | |
| 252 | T | A | -2.2008 | |
| 253 | H | A | -2.1042 | |
| 254 | A | A | -2.0725 | |
| 255 | D | A | -3.3421 | |
| 256 | K | A | -3.1707 | |
| 257 | A | A | -1.9992 | |
| 258 | I | A | 0.0000 | |
| 259 | P | A | -0.5814 | |
| 260 | R | A | -0.6701 | |
| 261 | S | A | -0.8106 | |
| 262 | L | A | -0.3121 | |
| 263 | L | A | 0.0000 | |
| 264 | Y | A | 0.0000 | |
| 265 | Q | A | -2.1435 | |
| 266 | R | A | -1.8197 | |
| 267 | L | A | 0.0000 | |
| 268 | G | A | -2.1836 | |
| 269 | E | A | -2.5695 | |
| 270 | Q | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | G | A | -1.7211 | |
| 273 | I | A | 0.0000 | |
| 274 | P | A | -2.2784 | |
| 275 | D | A | -3.1747 | |
| 276 | E | A | -3.3867 | |
| 277 | R | A | -2.3003 | |
| 278 | C | A | 0.0000 | |
| 279 | R | A | 0.0000 | |
| 280 | D | A | 0.0000 | |
| 281 | G | A | -0.2769 | |
| 282 | Y | A | -0.2573 | |
| 283 | G | A | -0.5218 | |
| 284 | S | A | -0.2571 | |
| 285 | V | A | -0.3032 | |
| 286 | E | A | 0.0000 | |
| 287 | H | A | 0.0000 | |
| 288 | P | A | -0.1132 | |
| 289 | V | A | 0.0000 | |
| 290 | P | A | -0.1900 | |
| 291 | Y | A | 0.0000 | |
| 292 | V | A | 0.0000 | |
| 293 | E | A | 0.0000 | |
| 294 | C | A | 0.0000 | |
| 295 | R | A | -3.1455 | |
| 296 | H | A | -2.1877 | |
| 297 | H | A | -1.8208 | |
| 298 | H | A | -1.1077 | |
| 299 | F | A | 0.0000 | |
| 300 | H | A | 0.0000 | |
| 301 | V | A | 0.0000 | |
| 302 | P | A | 0.0000 | |
| 303 | T | A | 0.0000 | |
| 304 | Y | A | 0.0000 | |
| 305 | A | A | 0.0000 | |
| 306 | R | A | -0.5436 | |
| 307 | A | A | 0.0000 | |
| 308 | Y | A | 0.3613 | |
| 309 | I | A | 0.0000 | |
| 310 | R | A | -0.1529 | |
| 311 | D | A | -0.4640 | |
| 312 | T | A | 0.0000 | |
| 313 | A | A | -0.6385 | |
| 314 | N | A | -1.1020 | |
| 315 | M | A | -0.2984 | |
| 316 | A | A | -0.0364 | |
| 317 | V | A | 0.7367 | |
| 318 | Q | A | 0.0984 | |
| 319 | P | A | 0.0205 | |
| 320 | Y | A | 0.4450 | |
| 321 | G | A | -0.5829 | |
| 322 | K | A | -1.1193 | |
| 323 | P | A | -0.5470 | |
| 324 | G | A | 0.0000 | |
| 325 | F | A | 0.0000 | |
| 326 | L | A | 0.0000 | |
| 327 | H | A | 0.0000 | |
| 328 | L | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | S | A | 0.0000 | |
| 331 | P | A | 0.0000 | |
| 332 | Y | A | 0.0000 | |
| 333 | I | A | 0.0000 | |
| 334 | T | A | 0.0000 | |
| 335 | S | A | 0.0000 | |
| 336 | S | A | 0.0000 | |
| 337 | P | A | 0.0000 | |
| 338 | A | A | 0.0000 | |
| 339 | H | A | 0.0000 | |
| 340 | S | A | 0.0000 | |
| 341 | I | A | 0.0000 | |
| 342 | V | A | 0.0000 | |
| 343 | V | A | 0.0000 | |
| 344 | S | A | -0.7406 | |
| 345 | D | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | A | A | 0.0000 | |
| 348 | V | A | 0.0000 | |
| 349 | L | A | 0.0000 | |
| 350 | H | A | -0.5914 | |
| 351 | S | A | -0.1107 | |
| 352 | A | A | -0.1325 | |
| 353 | V | A | 0.5764 | |
| 354 | E | A | -1.2121 | |
| 355 | C | A | 0.0000 | |
| 356 | G | A | -0.8634 | |
| 357 | C | A | 0.0000 | |
| 358 | G | A | -0.5868 | |
| 359 | L | A | 0.0000 | |
| 360 | A | A | -0.0856 | |
| 361 | T | A | 0.0000 | |
| 362 | D | A | -0.4177 | |
| 363 | W | A | 0.0000 | |
| 364 | F | A | 0.0000 | |
| 365 | E | A | -0.9403 | |
| 366 | L | A | -0.0288 | |
| 367 | L | A | 0.5318 | |
| 368 | G | A | -0.5283 | |
| 369 | R | A | -1.5502 | |
| 370 | A | A | -0.7535 | |
| 371 | G | A | -0.9171 | |
| 372 | T | A | -1.1347 | |
| 373 | S | A | -1.4351 | |
| 374 | K | A | -2.0628 | |
| 375 | S | A | -1.4336 | |
| 376 | R | A | -1.5238 | |
| 377 | S | A | 0.0000 | |
| 378 | C | A | -0.1750 | |
| 379 | A | A | 0.0000 | |
| 380 | I | A | 0.0000 | |
| 381 | A | A | 0.0000 | |
| 382 | A | A | 0.1872 | |
| 383 | S | A | -0.1868 | |
| 384 | E | A | -0.5075 | |
| 385 | L | A | 0.1032 | |
| 386 | I | A | 0.6056 | |
| 387 | K | A | -0.9038 | |
| 388 | E | A | -1.1694 | |
| 389 | S | A | -0.6970 | |
| 1 | M | B | 0.7437 | |
| 2 | G | B | -0.2496 | |
| 3 | S | B | -0.7014 | |
| 4 | S | B | -1.2222 | |
| 5 | H | B | -2.1363 | |
| 6 | H | B | -2.4935 | |
| 7 | H | B | -2.7162 | |
| 8 | H | B | -2.7343 | |
| 9 | H | B | -2.6340 | |
| 10 | H | B | -2.6489 | |
| 11 | S | B | -2.2534 | |
| 12 | Q | B | -2.7074 | |
| 13 | D | B | -2.7405 | |
| 14 | P | B | -2.0157 | |
| 15 | T | B | -0.9971 | |
| 16 | S | B | -0.9397 | |
| 17 | L | B | 0.0000 | |
| 18 | A | B | -0.1904 | |
| 19 | Y | B | 0.6859 | |
| 20 | V | B | 0.0000 | |
| 21 | D | B | -0.7640 | |
| 22 | A | B | 0.0540 | |
| 23 | L | B | 0.0000 | |
| 24 | C | B | -0.5537 | |
| 25 | A | B | -0.5803 | |
| 26 | L | B | -0.9871 | |
| 27 | D | B | -2.1308 | |
| 28 | H | B | -1.3289 | |
| 29 | P | B | 0.0000 | |
| 30 | Y | B | 0.0000 | |
| 31 | R | B | -0.9655 | |
| 32 | A | B | -0.8292 | |
| 33 | D | B | -1.3918 | |
| 34 | S | B | -1.2991 | |
| 35 | A | B | -1.0573 | |
| 36 | C | B | 0.0000 | |
| 37 | D | B | -2.1818 | |
| 38 | Q | B | -1.9124 | |
| 39 | L | B | -0.5195 | |
| 40 | F | B | 0.0000 | |
| 41 | D | B | -1.8344 | |
| 42 | A | B | -0.9653 | |
| 43 | A | B | 0.0000 | |
| 44 | M | B | 0.0000 | |
| 45 | R | B | -1.7296 | |
| 46 | E | B | -1.0880 | |
| 47 | L | B | 0.0000 | |
| 48 | T | B | 0.0000 | |
| 49 | R | B | -2.9624 | |
| 50 | Y | B | 0.0000 | |
| 51 | H | B | 0.0000 | |
| 52 | C | B | -2.0587 | |
| 53 | E | B | -2.4837 | |
| 54 | H | B | -1.4443 | |
| 55 | T | B | 0.0000 | |
| 56 | P | B | -0.8354 | |
| 57 | G | B | -1.0534 | |
| 58 | Y | B | 0.0000 | |
| 59 | H | B | -2.3630 | |
| 60 | Q | B | -2.0350 | |
| 61 | W | B | 0.0000 | |
| 62 | L | B | 0.0000 | |
| 63 | R | B | -3.2674 | |
| 64 | A | B | -1.9255 | |
| 65 | N | B | -1.9480 | |
| 66 | G | B | -2.0297 | |
| 67 | L | B | 0.0000 | |
| 68 | D | B | -3.6360 | |
| 69 | D | B | -4.2052 | |
| 70 | Q | B | -3.4786 | |
| 71 | T | B | -2.9093 | |
| 72 | L | B | 0.0000 | |
| 73 | E | B | -4.2138 | |
| 74 | K | B | -3.6175 | |
| 75 | M | B | 0.0000 | |
| 76 | N | B | -3.2838 | |
| 77 | D | B | -2.7308 | |
| 78 | W | B | 0.0000 | |
| 79 | S | B | 0.0000 | |
| 80 | R | B | -2.3300 | |
| 81 | L | B | 0.0000 | |
| 82 | P | B | 0.0000 | |
| 83 | P | B | -0.3552 | |
| 84 | I | B | 0.0000 | |
| 85 | F | B | 0.0000 | |
| 86 | A | B | 0.0000 | |
| 87 | N | B | -1.1337 | |
| 88 | Y | B | 0.0000 | |
| 89 | F | B | 0.0000 | |
| 90 | K | B | -1.8063 | |
| 91 | H | B | -1.6467 | |
| 92 | Q | B | -0.7079 | |
| 93 | L | B | -0.1228 | |
| 94 | L | B | 0.0000 | |
| 95 | L | B | -0.3133 | |
| 96 | S | B | 0.0000 | |
| 97 | T | B | -0.9183 | |
| 98 | T | B | -0.9883 | |
| 99 | G | B | 0.0000 | |
| 100 | Q | B | -2.0138 | |
| 101 | D | B | -2.3470 | |
| 102 | A | B | -1.1424 | |
| 103 | L | B | -0.1028 | |
| 104 | E | B | -0.6478 | |
| 105 | L | B | 0.0000 | |
| 106 | T | B | 0.0000 | |
| 107 | S | B | -0.6581 | |
| 108 | S | B | -0.3615 | |
| 109 | G | B | -0.8619 | |
| 110 | T | B | -0.5984 | |
| 111 | T | B | -0.8801 | |
| 112 | G | B | -1.3147 | |
| 113 | Q | B | -2.0200 | |
| 114 | K | B | -1.7929 | |
| 115 | S | B | 0.0000 | |
| 116 | R | B | -1.3780 | |
| 117 | M | B | 0.0000 | |
| 118 | R | B | -0.8488 | |
| 119 | Y | B | 0.0000 | |
| 120 | D | B | -0.9644 | |
| 121 | T | B | -0.6089 | |
| 122 | R | B | -1.1829 | |
| 123 | S | B | 0.0000 | |
| 124 | I | B | -0.5746 | |
| 125 | Q | B | -1.4021 | |
| 126 | A | B | 0.0000 | |
| 127 | A | B | -0.5258 | |
| 128 | Q | B | -0.7766 | |
| 129 | N | B | -0.9451 | |
| 130 | M | B | 0.0000 | |
| 131 | V | B | -0.5196 | |
| 132 | E | B | -1.3710 | |
| 133 | R | B | -1.5320 | |
| 134 | I | B | 0.0000 | |
| 135 | F | B | 0.0000 | |
| 136 | E | B | -2.0272 | |
| 137 | Y | B | -0.4783 | |
| 138 | Y | B | -0.4587 | |
| 139 | G | B | -0.8720 | |
| 140 | W | B | 0.0000 | |
| 141 | N | B | -1.4752 | |
| 142 | T | B | -1.3497 | |
| 143 | P | B | -1.2066 | |
| 144 | Q | B | -1.5921 | |
| 145 | Q | B | -0.9961 | |
| 146 | P | B | -0.5355 | |
| 147 | C | B | 0.0000 | |
| 148 | N | B | 0.0000 | |
| 149 | Y | B | 0.0000 | |
| 150 | L | B | 0.0000 | |
| 151 | L | B | 0.0000 | |
| 152 | L | B | 0.0000 | |
| 153 | S | B | 0.0000 | |
| 154 | Y | B | -0.0241 | |
| 155 | E | B | -0.5984 | |
| 156 | P | B | -0.2618 | |
| 157 | A | B | -0.5549 | |
| 158 | G | B | -0.3243 | |
| 159 | A | B | 0.1538 | |
| 160 | I | B | 0.5593 | |
| 161 | T | B | 0.2700 | |
| 162 | L | B | 0.2597 | |
| 163 | G | B | 0.0621 | |
| 164 | T | B | 0.0353 | |
| 165 | A | B | 0.0000 | |
| 166 | Y | B | 0.3825 | |
| 167 | T | B | 0.0868 | |
| 168 | D | B | 0.0000 | |
| 169 | Q | B | -0.5294 | |
| 170 | Y | B | -0.4392 | |
| 171 | L | B | 0.0000 | |
| 172 | C | B | -0.5585 | |
| 173 | K | B | -1.5846 | |
| 174 | Y | B | 0.0000 | |
| 175 | A | B | 0.0000 | |
| 176 | P | B | -0.5766 | |
| 177 | V | B | 0.3574 | |
| 178 | N | B | -0.5101 | |
| 179 | Q | B | -0.9863 | |
| 180 | A | B | -0.2377 | |
| 181 | C | B | -0.2547 | |
| 182 | Y | B | -0.0917 | |
| 183 | A | B | 0.0000 | |
| 184 | L | B | 0.0000 | |
| 185 | R | B | -1.0614 | |
| 186 | H | B | -1.4447 | |
| 187 | N | B | -1.7763 | |
| 188 | G | B | -2.0021 | |
| 189 | K | B | -2.3340 | |
| 190 | G | B | -1.5772 | |
| 191 | N | B | -1.4418 | |
| 192 | E | B | -1.2044 | |
| 193 | F | B | -0.2251 | |
| 194 | D | B | 0.0000 | |
| 195 | P | B | 0.0000 | |
| 196 | F | B | 0.0000 | |
| 197 | G | B | -0.5350 | |
| 198 | V | B | 0.0000 | |
| 199 | I | B | 0.0000 | |
| 200 | R | B | -1.2055 | |
| 201 | A | B | -0.9260 | |
| 202 | L | B | 0.0000 | |
| 203 | Q | B | -1.4158 | |
| 204 | E | B | -1.5043 | |
| 205 | F | B | 0.0000 | |
| 206 | A | B | -0.5317 | |
| 207 | V | B | 0.5574 | |
| 208 | Q | B | -0.3659 | |
| 209 | G | B | -0.4118 | |
| 210 | L | B | -0.4272 | |
| 211 | P | B | 0.0000 | |
| 212 | V | B | 0.0000 | |
| 213 | R | B | 0.0000 | |
| 214 | M | B | 0.0000 | |
| 215 | L | B | 0.0000 | |
| 216 | G | B | 0.0000 | |
| 217 | F | B | 0.0000 | |
| 218 | P | B | 0.0000 | |
| 219 | A | B | 0.0000 | |
| 220 | F | B | 0.1280 | |
| 221 | L | B | 0.0000 | |
| 222 | W | B | 0.0000 | |
| 223 | F | B | 0.1765 | |
| 224 | A | B | 0.0000 | |
| 225 | L | B | 0.0000 | |
| 226 | E | B | -1.2694 | |
| 227 | R | B | 0.0000 | |
| 228 | M | B | 0.0000 | |
| 229 | Q | B | -1.8824 | |
| 230 | E | B | -2.0861 | |
| 231 | M | B | -1.1987 | |
| 232 | G | B | -1.0013 | |
| 233 | L | B | -0.3117 | |
| 234 | P | B | -0.4555 | |
| 235 | P | B | -1.1972 | |
| 236 | I | B | -0.7748 | |
| 237 | Q | B | -1.5167 | |
| 238 | L | B | 0.0000 | |
| 239 | H | B | -1.2021 | |
| 240 | P | B | -1.5193 | |
| 241 | E | B | -1.9273 | |
| 242 | S | B | 0.0000 | |
| 243 | L | B | 0.0000 | |
| 244 | V | B | 0.0000 | |
| 245 | F | B | 0.0000 | |
| 246 | L | B | 0.0000 | |
| 247 | G | B | -0.4574 | |
| 248 | G | B | -0.9883 | |
| 249 | G | B | -1.1553 | |
| 250 | W | B | -1.5065 | |
| 251 | K | B | -2.9555 | |
| 252 | T | B | -2.2467 | |
| 253 | H | B | -2.1091 | |
| 254 | A | B | -2.0775 | |
| 255 | D | B | -3.3515 | |
| 256 | K | B | -3.1890 | |
| 257 | A | B | -2.0685 | |
| 258 | I | B | 0.0000 | |
| 259 | P | B | -0.6078 | |
| 260 | R | B | -0.6683 | |
| 261 | S | B | -0.7915 | |
| 262 | L | B | -0.2391 | |
| 263 | L | B | 0.0000 | |
| 264 | Y | B | 0.0000 | |
| 265 | Q | B | -2.1499 | |
| 266 | R | B | -1.8636 | |
| 267 | L | B | 0.0000 | |
| 268 | G | B | -2.1772 | |
| 269 | E | B | -2.5797 | |
| 270 | Q | B | 0.0000 | |
| 271 | L | B | 0.0000 | |
| 272 | G | B | -1.6587 | |
| 273 | I | B | 0.0000 | |
| 274 | P | B | -2.2314 | |
| 275 | D | B | -3.1842 | |
| 276 | E | B | -3.3310 | |
| 277 | R | B | -2.2184 | |
| 278 | C | B | 0.0000 | |
| 279 | R | B | 0.0000 | |
| 280 | D | B | 0.0000 | |
| 281 | G | B | -0.2742 | |
| 282 | Y | B | -0.2732 | |
| 283 | G | B | -0.5138 | |
| 284 | S | B | -0.2417 | |
| 285 | V | B | -0.2198 | |
| 286 | E | B | 0.0000 | |
| 287 | H | B | 0.0000 | |
| 288 | P | B | -0.1057 | |
| 289 | V | B | 0.0000 | |
| 290 | P | B | -0.1777 | |
| 291 | Y | B | 0.0000 | |
| 292 | V | B | 0.0000 | |
| 293 | E | B | 0.0000 | |
| 294 | C | B | 0.0000 | |
| 295 | R | B | -3.1128 | |
| 296 | H | B | -2.1926 | |
| 297 | H | B | -1.8266 | |
| 298 | H | B | -1.1325 | |
| 299 | F | B | 0.0000 | |
| 300 | H | B | 0.0000 | |
| 301 | V | B | 0.0000 | |
| 302 | P | B | 0.0000 | |
| 303 | T | B | 0.0000 | |
| 304 | Y | B | 0.0000 | |
| 305 | A | B | 0.0000 | |
| 306 | R | B | -0.5717 | |
| 307 | A | B | 0.0000 | |
| 308 | Y | B | 0.3840 | |
| 309 | I | B | 0.0000 | |
| 310 | R | B | -0.1258 | |
| 311 | D | B | -0.4302 | |
| 312 | T | B | 0.0000 | |
| 313 | A | B | -0.6809 | |
| 314 | N | B | -1.0970 | |
| 315 | M | B | -0.2781 | |
| 316 | A | B | -0.0254 | |
| 317 | V | B | 0.7485 | |
| 318 | Q | B | 0.1636 | |
| 319 | P | B | 0.0490 | |
| 320 | Y | B | 0.4478 | |
| 321 | G | B | -0.7457 | |
| 322 | K | B | -1.1520 | |
| 323 | P | B | -0.5819 | |
| 324 | G | B | 0.0000 | |
| 325 | F | B | 0.0000 | |
| 326 | L | B | 0.0000 | |
| 327 | H | B | 0.0000 | |
| 328 | L | B | 0.0000 | |
| 329 | T | B | 0.0000 | |
| 330 | S | B | 0.0000 | |
| 331 | P | B | 0.0000 | |
| 332 | Y | B | 0.0000 | |
| 333 | I | B | 0.0000 | |
| 334 | T | B | 0.0000 | |
| 335 | S | B | 0.0000 | |
| 336 | S | B | 0.0000 | |
| 337 | P | B | 0.0000 | |
| 338 | A | B | 0.0000 | |
| 339 | H | B | 0.0000 | |
| 340 | S | B | 0.0000 | |
| 341 | I | B | 0.0000 | |
| 342 | V | B | 0.0000 | |
| 343 | V | B | 0.0000 | |
| 344 | S | B | -0.7680 | |
| 345 | D | B | 0.0000 | |
| 346 | L | B | 0.0000 | |
| 347 | A | B | 0.0000 | |
| 348 | V | B | 0.0000 | |
| 349 | L | B | 0.0000 | |
| 350 | H | B | -0.6373 | |
| 351 | S | B | -0.1277 | |
| 352 | A | B | -0.0987 | |
| 353 | V | B | 0.5982 | |
| 354 | E | B | -1.2151 | |
| 355 | C | B | 0.0000 | |
| 356 | G | B | -0.8335 | |
| 357 | C | B | 0.0000 | |
| 358 | G | B | -0.5069 | |
| 359 | L | B | -0.1788 | |
| 360 | A | B | 0.0027 | |
| 361 | T | B | 0.0000 | |
| 362 | D | B | -0.3936 | |
| 363 | W | B | 0.0000 | |
| 364 | F | B | 0.0000 | |
| 365 | E | B | -1.0405 | |
| 366 | L | B | -0.1331 | |
| 367 | L | B | 0.3652 | |
| 368 | G | B | -0.7736 | |
| 369 | R | B | -1.7884 | |
| 370 | A | B | -0.8791 | |
| 371 | G | B | -0.9714 | |
| 372 | T | B | -1.1199 | |
| 373 | S | B | -1.4978 | |
| 374 | K | B | -2.1002 | |
| 375 | S | B | -1.4770 | |
| 376 | R | B | -1.6213 | |
| 377 | S | B | 0.0000 | |
| 378 | C | B | -0.1462 | |
| 379 | A | B | 0.0000 | |
| 380 | I | B | 0.0000 | |
| 381 | A | B | -0.1651 | |
| 382 | A | B | 0.0000 | |
| 383 | S | B | -0.0835 | |
| 384 | E | B | -0.4317 | |
| 385 | L | B | 0.2546 | |
| 386 | I | B | 0.9144 | |
| 387 | K | B | -0.8859 | |
| 388 | E | B | -1.1076 | |
| 389 | S | B | -0.6262 | |
| 1 | M | C | 0.2216 | |
| 2 | Y | C | 0.0000 | |
| 3 | L | C | 0.0000 | |
| 4 | V | C | 0.0000 | |
| 5 | N | C | -1.8511 | |
| 6 | G | C | 0.0000 | |
| 7 | K | C | -2.0291 | |
| 8 | I | C | -0.5894 | |
| 9 | I | C | -0.0946 | |
| 10 | S | C | -0.8185 | |
| 11 | D | C | -1.8355 | |
| 12 | L | C | -1.4252 | |
| 13 | E | C | -2.6042 | |
| 14 | P | C | -1.9762 | |
| 15 | D | C | -2.5762 | |
| 16 | A | C | -1.9012 | |
| 17 | V | C | 0.0000 | |
| 18 | L | C | 0.0000 | |
| 19 | A | C | -1.8113 | |
| 20 | E | C | -2.4826 | |
| 21 | L | C | -1.8076 | |
| 22 | K | C | -2.1049 | |
| 23 | S | C | -1.8533 | |
| 24 | S | C | -1.7065 | |
| 25 | L | C | 0.0000 | |
| 26 | A | C | -1.4426 | |
| 27 | D | C | -2.0067 | |
| 28 | T | C | -0.7665 | |
| 29 | L | C | 0.0000 | |
| 30 | A | C | -0.3361 | |
| 31 | Y | C | 0.7110 | |
| 32 | P | C | 0.2224 | |
| 33 | P | C | 0.0000 | |
| 34 | S | C | -0.2498 | |
| 35 | V | C | -0.4983 | |
| 36 | Q | C | -1.5586 | |
| 37 | Q | C | -1.1361 | |
| 38 | V | C | 0.0000 | |
| 39 | L | C | 0.0000 | |
| 40 | D | C | -1.3589 | |
| 41 | C | C | 0.0000 | |
| 42 | A | C | 0.0000 | |
| 43 | G | C | -2.0624 | |
| 44 | R | C | -1.6141 | |
| 45 | F | C | 0.0000 | |
| 46 | A | C | 0.0000 | |
| 47 | D | C | -2.7005 | |
| 48 | S | C | -1.8028 | |
| 49 | L | C | 0.0000 | |
| 50 | E | C | -2.5520 | |
| 51 | T | C | -1.6412 | |
| 52 | I | C | 0.0000 | |
| 53 | A | C | 0.0000 | |
| 54 | S | C | -1.6585 | |
| 55 | E | C | -2.0139 | |
| 56 | L | C | -0.9151 | |
| 57 | A | C | -0.8045 | |
| 58 | L | C | -1.0809 | |
| 59 | D | C | -1.6255 | |
| 60 | T | C | -0.9577 | |
| 61 | A | C | -0.5369 | |
| 62 | T | C | -0.5957 | |
| 63 | I | C | -0.8152 | |
| 64 | A | C | -0.5110 | |
| 65 | A | C | -0.2119 | |
| 66 | L | C | 0.0000 | |
| 67 | R | C | -2.1579 | |
| 68 | G | C | -1.0837 | |
| 69 | F | C | -0.8970 | |
| 70 | C | C | 0.0000 | |
| 71 | R | C | -2.9225 | |
| 72 | R | C | -2.9400 | |
| 73 | D | C | -2.8936 | |
| 74 | L | C | -1.9194 | |
| 75 | L | C | 0.0000 | |
| 76 | E | C | -2.6370 | |
| 77 | A | C | -1.9771 | |
| 78 | K | C | -1.4332 | |
| 79 | L | C | 0.0000 | |
| 80 | R | C | -2.2022 | |
| 81 | H | C | -1.1828 | |
| 82 | E | C | 0.0000 | |
| 83 | L | C | 0.0000 | |
| 84 | G | C | -1.6167 | |
| 85 | E | C | -2.6580 | |
| 86 | Q | C | -1.7775 | |
| 87 | P | C | -1.0559 | |
| 88 | F | C | -0.2568 | |
| 89 | S | C | -0.7772 | |
| 90 | L | C | 0.0000 | |
| 91 | R | C | -0.3727 | |
| 92 | R | C | 0.0000 | |
| 93 | F | C | 0.4055 | |
| 94 | D | C | -0.2500 | |
| 95 | Y | C | -0.2755 | |
| 96 | T | C | -0.4536 | |
| 97 | Q | C | -0.5162 | |
| 98 | P | C | -0.8368 | |
| 99 | R | C | -0.5230 | |
| 100 | F | C | 0.0000 | |
| 101 | E | C | 0.0000 | |
| 102 | A | C | 0.0000 | |
| 103 | W | C | 0.0000 | |
| 104 | Q | C | -0.1964 | |
| 105 | P | C | 0.0000 | |
| 106 | L | C | 0.0000 | |
| 107 | G | C | 0.0000 | |
| 108 | L | C | 0.0000 | |
| 109 | V | C | 0.0000 | |
| 110 | V | C | 0.0000 | |
| 111 | H | C | 0.0000 | |
| 112 | I | C | 0.0000 | |
| 113 | T | C | 0.0000 | |
| 114 | P | C | -0.3110 | |
| 115 | A | C | -0.5240 | |
| 116 | N | C | -0.8619 | |
| 117 | A | C | -0.3592 | |
| 118 | P | C | -0.3292 | |
| 119 | L | C | 0.1548 | |
| 120 | L | C | 0.2408 | |
| 121 | P | C | 0.0000 | |
| 122 | F | C | 0.0000 | |
| 123 | M | C | 0.2612 | |
| 124 | A | C | 0.0000 | |
| 125 | V | C | 0.0000 | |
| 126 | L | C | 0.0000 | |
| 127 | E | C | -0.1703 | |
| 128 | S | C | 0.0000 | |
| 129 | L | C | 0.0000 | |
| 130 | L | C | 0.0000 | |
| 131 | V | C | 0.0000 | |
| 132 | G | C | 0.0000 | |
| 133 | N | C | 0.0000 | |
| 134 | V | C | 0.0000 | |
| 135 | N | C | 0.0000 | |
| 136 | W | C | 0.0000 | |
| 137 | L | C | 0.0000 | |
| 138 | R | C | -0.3633 | |
| 139 | P | C | 0.0000 | |
| 140 | S | C | -0.5869 | |
| 141 | S | C | -0.6701 | |
| 142 | S | C | -0.7311 | |
| 143 | D | C | -0.7977 | |
| 144 | H | C | -1.0926 | |
| 145 | G | C | -0.3950 | |
| 146 | L | C | -0.0511 | |
| 147 | N | C | 0.0000 | |
| 148 | A | C | 0.0000 | |
| 149 | Q | C | -0.5453 | |
| 150 | L | C | 0.0000 | |
| 151 | L | C | 0.0000 | |
| 152 | V | C | -1.1251 | |
| 153 | E | C | -1.1437 | |
| 154 | F | C | 0.0000 | |
| 155 | L | C | 0.0000 | |
| 156 | R | C | -2.0882 | |
| 157 | H | C | -1.2981 | |
| 158 | D | C | -0.7619 | |
| 159 | L | C | 0.5390 | |
| 160 | S | C | -0.1250 | |
| 161 | G | C | -0.9251 | |
| 162 | K | C | -0.8708 | |
| 163 | L | C | 0.0000 | |
| 164 | A | C | -1.3499 | |
| 165 | P | C | -0.9338 | |
| 166 | Y | C | 0.0000 | |
| 167 | V | C | 0.0000 | |
| 168 | S | C | 0.0000 | |
| 169 | V | C | 0.0000 | |
| 170 | L | C | 0.0000 | |
| 171 | P | C | -0.3516 | |
| 172 | L | C | 0.0000 | |
| 173 | P | C | -1.0230 | |
| 174 | S | C | -1.3293 | |
| 175 | D | C | -2.1551 | |
| 176 | Q | C | -1.6379 | |
| 177 | L | C | 0.0000 | |
| 178 | S | C | -1.4793 | |
| 179 | T | C | -1.4096 | |
| 180 | L | C | 0.0000 | |
| 181 | L | C | 0.0000 | |
| 182 | E | C | -2.0496 | |
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| 335 | Y | C | 0.0000 | |
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| 339 | Q | C | 0.0000 | |
| 340 | I | C | 0.0000 | |
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| 343 | A | C | 0.0000 | |
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| 348 | L | C | 0.0000 | |
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| 350 | E | C | -1.8039 | |
| 351 | I | C | 0.0000 | |
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| 356 | R | C | 0.0000 | |
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| 365 | I | C | 0.0000 | |
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| 370 | E | C | -1.5216 | |
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| 392 | M | C | 0.0000 | |
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| 395 | G | C | -1.5991 | |
| 396 | Y | C | -0.9377 | |
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| 400 | P | C | 0.0000 | |
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| 403 | G | C | 0.0000 | |
| 404 | V | C | -0.4350 | |
| 405 | Y | C | 0.0000 | |
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| 407 | L | C | 0.0000 | |
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| 410 | L | C | 0.0000 | |
| 411 | A | C | 0.0000 | |
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| 415 | S | C | 0.0000 | |
| 416 | V | C | 0.0000 | |
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| 418 | L | C | 0.0000 | |
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| 420 | A | C | -1.3226 | |
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| 423 | L | C | 0.0000 | |
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| 426 | H | C | 0.0000 | |
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| 429 | L | C | 0.0000 | |
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| 440 | A | C | -0.5757 | |
| 441 | G | C | -0.5312 | |
| 442 | V | C | -0.3355 | |
| 443 | P | C | -0.5664 | |
| 444 | V | C | -0.7535 | |
| 445 | M | C | 0.0000 | |
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| 447 | K | C | -2.7680 | |
| 448 | E | C | -3.5830 | |
| 449 | K | C | -3.1350 | |
| 450 | F | C | 0.0000 | |
| 451 | Q | C | -2.1618 | |
| 452 | Q | C | -2.4403 | |
| 453 | N | C | -1.1520 | |
| 454 | G | C | -0.4253 | |
| 455 | V | C | 0.2314 | |
| 456 | T | C | -0.3286 | |
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| 459 | A | C | 0.0000 | |
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| 470 | G | C | -0.8211 | |
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| 472 | P | C | -0.8353 | |
| 473 | K | C | -1.1169 | |
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| 475 | A | C | 0.0000 | |
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| 480 | R | C | -2.3254 | |
| 481 | D | C | 0.0000 | |
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| 485 | Q | C | 0.0000 | |
| 486 | M | C | 0.0000 | |
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| 494 | F | C | 0.0000 | |
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| 496 | A | C | 0.0000 | |
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| 498 | L | C | 0.0000 | |
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| 500 | P | C | 0.0000 | |
| 501 | A | C | -0.7486 | |
| 502 | Q | C | -1.4237 | |
| 503 | D | C | 0.0000 | |
| 504 | R | C | -1.2844 | |
| 505 | V | C | 0.0000 | |
| 506 | M | C | 0.0000 | |
| 507 | N | C | 0.0000 | |
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| 510 | Y | C | 1.1986 | |
| 511 | G | C | 0.0000 | |
| 512 | S | C | 0.6007 | |
| 513 | N | C | 0.1937 | |
| 514 | L | C | 0.0000 | |
| 515 | Y | C | 1.1361 | |
| 516 | G | C | 0.5847 | |
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| 518 | L | C | 0.0000 | |
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| 520 | S | C | 0.0251 | |
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| 524 | I | C | 0.0000 | |
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| 527 | K | C | -0.6364 | |
| 528 | L | C | 0.0000 | |
| 529 | S | C | -0.6258 | |
| 530 | V | C | 0.0000 | |
| 531 | P | C | -0.7590 | |
| 532 | H | C | 0.0000 | |
| 533 | Y | C | 0.0000 | |
| 534 | P | C | 0.0000 | |
| 535 | M | C | 0.0000 | |
| 536 | G | C | 0.0000 | |
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| 539 | I | C | -0.0619 | |
| 540 | N | C | -1.7354 | |
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| 542 | D | C | -2.1425 | |
| 543 | F | C | 0.0000 | |
| 544 | S | C | -1.2623 | |
| 545 | Q | C | -0.7025 | |
| 546 | I | C | 0.0000 | |
| 547 | R | C | -0.9997 | |
| 548 | H | C | -0.7814 | |
| 549 | F | C | 0.0000 | |
| 550 | I | C | 0.0000 | |
| 551 | V | C | -0.5048 | |
| 552 | T | C | -0.6144 | |
| 553 | Q | C | -1.1369 | |
| 554 | R | C | -1.9561 | |
| 555 | V | C | 0.0000 | |
| 556 | N | C | -1.4965 | |
| 557 | T | C | 0.0000 | |
| 558 | L | C | 0.0000 | |
| 559 | I | C | 0.0000 | |
| 560 | G | C | 0.0000 | |
| 561 | M | C | -0.3208 | |
| 562 | P | C | 0.0000 | |
| 563 | S | C | -0.4896 | |
| 564 | T | C | -0.4192 | |
| 565 | I | C | 0.0000 | |
| 566 | Y | C | -0.6249 | |
| 567 | Q | C | -1.6749 | |
| 568 | L | C | 0.0000 | |
| 569 | F | C | 0.0000 | |
| 570 | E | C | -2.4716 | |
| 571 | R | C | -3.1174 | |
| 572 | E | C | -2.1205 | |
| 573 | G | C | -1.7918 | |
| 574 | A | C | -1.1159 | |
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| 576 | L | C | 0.0000 | |
| 577 | R | C | -1.9534 | |
| 578 | A | C | -0.7730 | |
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| 580 | G | C | -1.3279 | |
| 581 | G | C | 0.0000 | |
| 582 | V | C | 0.0000 | |
| 583 | R | C | -2.1402 | |
| 584 | K | C | -1.4015 | |
| 585 | I | C | 0.0000 | |
| 586 | F | C | 0.0000 | |
| 587 | A | C | 0.0000 | |
| 588 | G | C | -0.9203 | |
| 589 | G | C | -1.6002 | |
| 590 | E | C | -2.5061 | |
| 591 | H | C | -2.4047 | |
| 592 | I | C | 0.0000 | |
| 593 | S | C | -2.5438 | |
| 594 | E | C | -3.5974 | |
| 595 | E | C | -3.3531 | |
| 596 | R | C | -2.2577 | |
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| 598 | Q | C | -2.4929 | |
| 599 | F | C | -1.3584 | |
| 600 | L | C | 0.0000 | |
| 601 | S | C | -1.3848 | |
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| 603 | F | C | 0.0000 | |
| 604 | G | C | -1.3211 | |
| 605 | I | C | 0.0000 | |
| 606 | Q | C | -1.7494 | |
| 607 | V | C | -1.0235 | |
| 608 | I | C | 0.0000 | |
| 609 | R | C | -0.9430 | |
| 610 | S | C | -0.9234 | |
| 611 | A | C | 0.0000 | |
| 612 | I | C | 0.0000 | |
| 613 | Y | C | 0.0000 | |
| 614 | G | C | -0.2327 | |
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| 617 | D | C | 0.0000 | |
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| 620 | P | C | 0.0000 | |
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| 623 | H | C | 0.0000 | |
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| 627 | C | C | -0.0257 | |
| 628 | C | C | -0.6679 | |
| 629 | H | C | -1.6365 | |
| 630 | D | C | -2.2615 | |
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| 637 | S | C | -0.5913 | |
| 638 | D | C | -1.5051 | |
| 639 | I | C | 0.0000 | |
| 640 | Q | C | 0.0000 | |
| 641 | W | C | -0.0746 | |
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| 645 | L | C | 0.0000 | |
| 646 | A | C | -1.5337 | |
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| 650 | D | C | -2.6154 | |
| 651 | Q | C | -2.4529 | |
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| 653 | I | C | -1.1916 | |
| 654 | Q | C | -1.5403 | |
| 655 | P | C | -0.9378 | |
| 656 | G | C | -1.0252 | |
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| 659 | G | C | 0.0000 | |
| 660 | R | C | -1.0928 | |
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| 665 | P | C | 0.0000 | |
| 666 | L | C | -0.0917 | |
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| 670 | G | C | 0.0000 | |
| 671 | Q | C | 0.0000 | |
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| 674 | Q | C | -0.4503 | |
| 675 | R | C | -0.7005 | |
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| 680 | D | C | -1.3461 | |
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| 686 | P | C | -0.0766 | |
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| 707 | L | C | 0.0000 | |
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| 711 | G | C | 0.0000 | |
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| 713 | I | C | 0.0000 | |
| 714 | F | C | -0.2869 | |
| 715 | V | C | 0.0000 | |
| 716 | N | C | 0.0000 | |
| 717 | P | C | 0.0000 | |
| 718 | T | C | -0.2143 | |
| 719 | E | C | -0.6231 | |
| 720 | L | C | -0.4515 | |
| 721 | S | C | -0.1876 | |
| 722 | A | C | -0.6197 | |
| 723 | G | C | -0.6911 | |
| 724 | L | C | -0.2582 | |
| 725 | A | C | -0.3196 | |
| 726 | F | C | -0.1934 | |
| 727 | P | C | -0.3260 | |
| 728 | V | C | 0.0000 | |
| 729 | Q | C | 0.0000 | |
| 730 | W | C | 0.0000 | |
| 731 | L | C | -0.1678 | |
| 732 | I | C | 0.0000 | |
| 733 | G | C | 0.0000 | |
| 734 | N | C | -2.1477 | |
| 735 | H | C | -1.6072 | |
| 736 | A | C | -0.9148 | |
| 737 | G | C | -1.1316 | |
| 738 | G | C | -1.3150 | |
| 739 | G | C | -1.2611 | |
| 740 | E | C | -1.3850 | |
| 741 | Y | C | -1.0094 | |
| 742 | I | C | 0.0000 | |
| 743 | H | C | -0.4400 | |
| 744 | V | C | 0.0000 | |
| 745 | L | C | 0.0000 | |
| 746 | A | C | 0.0000 | |
| 747 | E | C | -1.6045 | |
| 748 | G | C | -1.4366 | |
| 749 | D | C | -1.9448 | |
| 750 | V | C | -1.7191 | |
| 751 | N | C | -2.5233 | |
| 752 | Q | C | -2.5267 | |
| 753 | V | C | 0.0000 | |
| 754 | R | C | -2.7186 | |
| 755 | G | C | -2.1152 | |
| 756 | H | C | -1.6882 | |
| 757 | L | C | 0.0000 | |
| 758 | M | C | -1.8697 | |
| 759 | Q | C | -2.1261 | |
| 760 | H | C | -1.9034 | |
| 761 | K | C | -2.5993 | |
| 762 | M | C | -1.5507 | |
| 763 | L | C | 0.0000 | |
| 764 | N | C | -2.1214 | |
| 765 | Q | C | -1.9087 | |
| 766 | V | C | 0.0000 | |
| 767 | V | C | -0.8242 | |
| 768 | S | C | -0.9792 | |
| 769 | G | C | -0.9854 | |
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| 771 | M | C | 0.0478 | |
| 772 | L | C | 0.0000 | |
| 773 | Q | C | -1.4528 | |
| 774 | L | C | 0.0000 | |
| 775 | E | C | -1.4398 | |
| 776 | I | C | 0.0000 | |
| 777 | I | C | -0.0383 | |
| 778 | P | C | -0.5499 | |
| 779 | T | C | -0.9919 | |
| 780 | P | C | -1.1716 | |
| 781 | A | C | -1.3128 | |
| 782 | G | C | -1.6999 | |
| 783 | Q | C | -2.3507 | |
| 784 | F | C | 0.0000 | |
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| 786 | R | C | -4.0117 | |
| 787 | H | C | -2.8035 | |
| 788 | P | C | -2.1571 | |
| 789 | Q | C | -2.1352 | |
| 790 | S | C | -2.0128 | |
| 791 | G | C | -2.6152 | |
| 792 | K | C | -3.1122 | |
| 793 | T | C | -2.4178 | |
| 794 | P | C | -1.0493 | |
| 795 | L | C | -0.0766 | |
| 796 | V | C | 0.1033 | |
| 797 | L | C | -0.5514 | |
| 798 | D | C | -0.6128 | |
| 799 | S | C | -0.7810 | |
| 800 | R | C | -1.0697 | |
| 801 | T | C | -0.5792 | |
| 1 | M | D | 0.2310 | |
| 2 | Y | D | 0.0000 | |
| 3 | L | D | 0.0000 | |
| 4 | V | D | 0.0000 | |
| 5 | N | D | -1.8891 | |
| 6 | G | D | 0.0000 | |
| 7 | K | D | -1.9682 | |
| 8 | I | D | -0.5025 | |
| 9 | I | D | 0.0452 | |
| 10 | S | D | -0.7629 | |
| 11 | D | D | -1.8159 | |
| 12 | L | D | -1.4333 | |
| 13 | E | D | -2.6184 | |
| 14 | P | D | -1.9818 | |
| 15 | D | D | -2.5952 | |
| 16 | A | D | -1.8788 | |
| 17 | V | D | 0.0000 | |
| 18 | L | D | 0.0000 | |
| 19 | A | D | -1.6915 | |
| 20 | E | D | -2.4135 | |
| 21 | L | D | 0.0000 | |
| 22 | K | D | -1.7224 | |
| 23 | S | D | -1.6792 | |
| 24 | S | D | -1.6203 | |
| 25 | L | D | 0.0000 | |
| 26 | A | D | -1.3697 | |
| 27 | D | D | -1.9601 | |
| 28 | T | D | 0.0000 | |
| 29 | L | D | 0.0000 | |
| 30 | A | D | -0.3388 | |
| 31 | Y | D | 0.7100 | |
| 32 | P | D | 0.2331 | |
| 33 | P | D | 0.0000 | |
| 34 | S | D | -0.1373 | |
| 35 | V | D | -0.3245 | |
| 36 | Q | D | -1.2831 | |
| 37 | Q | D | -0.9977 | |
| 38 | V | D | 0.0000 | |
| 39 | L | D | 0.0000 | |
| 40 | D | D | -1.2807 | |
| 41 | C | D | 0.0000 | |
| 42 | A | D | 0.0000 | |
| 43 | G | D | -1.8966 | |
| 44 | R | D | -1.3806 | |
| 45 | F | D | 0.0000 | |
| 46 | A | D | 0.0000 | |
| 47 | D | D | -2.5537 | |
| 48 | S | D | -1.7263 | |
| 49 | L | D | 0.0000 | |
| 50 | E | D | -2.4652 | |
| 51 | T | D | -1.6423 | |
| 52 | I | D | 0.0000 | |
| 53 | A | D | 0.0000 | |
| 54 | S | D | -1.6611 | |
| 55 | E | D | -2.0172 | |
| 56 | L | D | -0.9213 | |
| 57 | A | D | -0.8077 | |
| 58 | L | D | -1.0741 | |
| 59 | D | D | -1.6134 | |
| 60 | T | D | -0.9387 | |
| 61 | A | D | -0.4426 | |
| 62 | T | D | -0.4583 | |
| 63 | I | D | -0.5489 | |
| 64 | A | D | -0.2163 | |
| 65 | A | D | 0.0522 | |
| 66 | L | D | 0.0000 | |
| 67 | R | D | -1.3073 | |
| 68 | G | D | -0.6038 | |
| 69 | F | D | -0.5493 | |
| 70 | C | D | 0.0000 | |
| 71 | R | D | -2.4106 | |
| 72 | R | D | -2.6144 | |
| 73 | D | D | -2.7815 | |
| 74 | L | D | -1.9088 | |
| 75 | L | D | 0.0000 | |
| 76 | E | D | -2.7671 | |
| 77 | A | D | -2.2502 | |
| 78 | K | D | -1.7251 | |
| 79 | L | D | 0.0000 | |
| 80 | R | D | -3.1157 | |
| 81 | H | D | -1.6828 | |
| 82 | E | D | 0.0000 | |
| 83 | L | D | 0.0000 | |
| 84 | G | D | -1.9967 | |
| 85 | E | D | -2.9205 | |
| 86 | Q | D | -1.8188 | |
| 87 | P | D | -1.1732 | |
| 88 | F | D | -0.2244 | |
| 89 | S | D | -0.7111 | |
| 90 | L | D | 0.0000 | |
| 91 | R | D | -0.3551 | |
| 92 | R | D | 0.0000 | |
| 93 | F | D | 0.3008 | |
| 94 | D | D | -0.3553 | |
| 95 | Y | D | 0.0000 | |
| 96 | T | D | -0.5438 | |
| 97 | Q | D | -0.5820 | |
| 98 | P | D | -0.8563 | |
| 99 | R | D | -0.5771 | |
| 100 | F | D | 0.0000 | |
| 101 | E | D | 0.0000 | |
| 102 | A | D | 0.0000 | |
| 103 | W | D | 0.0000 | |
| 104 | Q | D | -0.1945 | |
| 105 | P | D | 0.0000 | |
| 106 | L | D | 0.0000 | |
| 107 | G | D | 0.0000 | |
| 108 | L | D | 0.0000 | |
| 109 | V | D | 0.0000 | |
| 110 | V | D | 0.0000 | |
| 111 | H | D | 0.0000 | |
| 112 | I | D | 0.0000 | |
| 113 | T | D | 0.0000 | |
| 114 | P | D | -0.2865 | |
| 115 | A | D | -0.4908 | |
| 116 | N | D | -0.7502 | |
| 117 | A | D | -0.3099 | |
| 118 | P | D | -0.3002 | |
| 119 | L | D | 0.1597 | |
| 120 | L | D | 0.2377 | |
| 121 | P | D | 0.0000 | |
| 122 | F | D | 0.0000 | |
| 123 | M | D | 0.2411 | |
| 124 | A | D | 0.0000 | |
| 125 | V | D | 0.0000 | |
| 126 | L | D | 0.0000 | |
| 127 | E | D | -0.1948 | |
| 128 | S | D | 0.0000 | |
| 129 | L | D | 0.0000 | |
| 130 | L | D | 0.0000 | |
| 131 | V | D | 0.0000 | |
| 132 | G | D | 0.0000 | |
| 133 | N | D | 0.0000 | |
| 134 | V | D | 0.0000 | |
| 135 | N | D | 0.0000 | |
| 136 | W | D | 0.0000 | |
| 137 | L | D | 0.0000 | |
| 138 | R | D | -0.3435 | |
| 139 | P | D | 0.0000 | |
| 140 | S | D | -0.5700 | |
| 141 | S | D | -0.6717 | |
| 142 | S | D | -0.7105 | |
| 143 | D | D | -0.7892 | |
| 144 | H | D | -1.1012 | |
| 145 | G | D | -0.4026 | |
| 146 | L | D | -0.0886 | |
| 147 | N | D | 0.0000 | |
| 148 | A | D | 0.0000 | |
| 149 | Q | D | -0.5903 | |
| 150 | L | D | 0.0000 | |
| 151 | L | D | 0.0000 | |
| 152 | V | D | 0.0000 | |
| 153 | E | D | -1.1252 | |
| 154 | F | D | 0.0000 | |
| 155 | L | D | 0.0000 | |
| 156 | R | D | -1.8207 | |
| 157 | H | D | -1.1772 | |
| 158 | D | D | -0.6622 | |
| 159 | L | D | 0.5951 | |
| 160 | S | D | -0.1193 | |
| 161 | G | D | -0.8701 | |
| 162 | K | D | -0.8476 | |
| 163 | L | D | 0.0000 | |
| 164 | A | D | -1.3334 | |
| 165 | P | D | -0.9764 | |
| 166 | Y | D | 0.0000 | |
| 167 | V | D | 0.0000 | |
| 168 | S | D | 0.0000 | |
| 169 | V | D | 0.0000 | |
| 170 | L | D | 0.0000 | |
| 171 | P | D | -0.3441 | |
| 172 | L | D | 0.0000 | |
| 173 | P | D | -0.9924 | |
| 174 | S | D | -1.2748 | |
| 175 | D | D | -2.1028 | |
| 176 | Q | D | -1.5576 | |
| 177 | L | D | -1.1351 | |
| 178 | S | D | -1.2599 | |
| 179 | T | D | -1.3090 | |
| 180 | L | D | 0.0000 | |
| 181 | L | D | 0.0000 | |
| 182 | E | D | -1.9681 | |
| 183 | C | D | -0.9982 | |
| 184 | A | D | 0.0000 | |
| 185 | D | D | -0.5785 | |
| 186 | A | D | 0.0000 | |
| 187 | V | D | 0.0000 | |
| 188 | S | D | 0.0000 | |
| 189 | A | D | 0.0000 | |
| 190 | W | D | 0.1236 | |
| 191 | G | D | 0.0000 | |
| 192 | S | D | -0.3383 | |
| 193 | N | D | -0.4283 | |
| 194 | T | D | -0.3127 | |
| 195 | A | D | -0.0333 | |
| 196 | L | D | 0.0000 | |
| 197 | T | D | -0.3567 | |
| 198 | A | D | -0.2056 | |
| 199 | I | D | 0.0000 | |
| 200 | R | D | 0.0000 | |
| 201 | S | D | -0.6553 | |
| 202 | Q | D | -1.1175 | |
| 203 | L | D | -0.8944 | |
| 204 | R | D | -1.2368 | |
| 205 | P | D | -0.9052 | |
| 206 | G | D | -0.6611 | |
| 207 | C | D | 0.0000 | |
| 208 | R | D | -0.6354 | |
| 209 | W | D | 0.0000 | |
| 210 | I | D | 0.0000 | |
| 211 | D | D | -0.4527 | |
| 212 | W | D | 0.0000 | |
| 213 | G | D | -0.1868 | |
| 214 | H | D | 0.0000 | |
| 215 | R | D | 0.0000 | |
| 216 | I | D | 0.0000 | |
| 217 | S | D | 0.0000 | |
| 218 | F | D | 0.0000 | |
| 219 | T | D | 0.0000 | |
| 220 | Y | D | 0.0000 | |
| 221 | L | D | 0.0000 | |
| 222 | D | D | 0.0000 | |
| 223 | P | D | -1.3145 | |
| 224 | E | D | -2.0876 | |
| 225 | S | D | -1.4416 | |
| 226 | A | D | -1.1871 | |
| 227 | G | D | -1.1850 | |
| 228 | N | D | -1.5369 | |
| 229 | T | D | -0.9365 | |
| 230 | D | D | -0.8573 | |
| 231 | Y | D | 0.0000 | |
| 232 | D | D | -1.2072 | |
| 233 | A | D | -0.6088 | |
| 234 | L | D | 0.0000 | |
| 235 | A | D | 0.0000 | |
| 236 | D | D | -0.2056 | |
| 237 | D | D | 0.0000 | |
| 238 | V | D | 0.0000 | |
| 239 | C | D | 0.0000 | |
| 240 | R | D | 0.6285 | |
| 241 | F | D | 1.4770 | |
| 242 | D | D | 0.0000 | |
| 243 | Q | D | 0.0000 | |
| 244 | Q | D | 0.2011 | |
| 245 | A | D | 0.2373 | |
| 246 | C | D | 0.2954 | |
| 247 | S | D | -0.0701 | |
| 248 | S | D | 0.0000 | |
| 249 | P | D | 0.0000 | |
| 250 | Q | D | 0.0000 | |
| 251 | C | D | 0.0000 | |
| 252 | L | D | 0.0000 | |
| 253 | L | D | 0.0000 | |
| 254 | V | D | 0.0000 | |
| 255 | D | D | -0.8079 | |
| 256 | S | D | -1.0201 | |
| 257 | T | D | -1.2600 | |
| 258 | D | D | -2.0090 | |
| 259 | E | D | -2.6145 | |
| 260 | N | D | -2.7817 | |
| 261 | V | D | -2.2272 | |
| 262 | L | D | 0.0000 | |
| 263 | R | D | -3.2618 | |
| 264 | E | D | -2.9596 | |
| 265 | V | D | 0.0000 | |
| 266 | A | D | 0.0000 | |
| 267 | S | D | -1.4319 | |
| 268 | A | D | -1.1633 | |
| 269 | V | D | 0.0000 | |
| 270 | A | D | 0.0000 | |
| 271 | S | D | -1.0824 | |
| 272 | A | D | 0.0000 | |
| 273 | L | D | 0.0000 | |
| 274 | A | D | -1.6339 | |
| 275 | R | D | -1.8957 | |
| 276 | R | D | -0.9360 | |
| 277 | A | D | 0.0000 | |
| 278 | P | D | -0.2445 | |
| 279 | V | D | 1.1947 | |
| 280 | W | D | 1.0170 | |
| 281 | P | D | 0.4546 | |
| 282 | A | D | 0.3898 | |
| 283 | L | D | 0.2713 | |
| 284 | Q | D | -1.0117 | |
| 285 | P | D | -0.8440 | |
| 286 | D | D | -0.7794 | |
| 287 | I | D | 0.0532 | |
| 288 | Q | D | -0.7736 | |
| 289 | E | D | 0.0000 | |
| 290 | A | D | 0.0000 | |
| 291 | A | D | 0.0000 | |
| 292 | E | D | -0.3888 | |
| 293 | I | D | 0.0000 | |
| 294 | S | D | -0.3399 | |
| 295 | S | D | -0.1429 | |
| 296 | Q | D | -0.1100 | |
| 297 | M | D | 0.0000 | |
| 298 | A | D | -0.0946 | |
| 299 | F | D | -0.0550 | |
| 300 | L | D | -0.0686 | |
| 301 | Q | D | -0.5872 | |
| 302 | L | D | 0.0000 | |
| 303 | D | D | -0.7796 | |
| 304 | H | D | -1.1404 | |
| 305 | T | D | -0.9327 | |
| 306 | F | D | -0.4778 | |
| 307 | A | D | -0.4695 | |
| 308 | G | D | -0.7779 | |
| 309 | L | D | -0.8274 | |
| 310 | T | D | -0.8676 | |
| 311 | G | D | -1.0022 | |
| 312 | S | D | -0.6680 | |
| 313 | F | D | -0.6758 | |
| 314 | E | D | -2.1265 | |
| 315 | E | D | -3.0120 | |
| 316 | G | D | -2.5178 | |
| 317 | D | D | -2.5801 | |
| 318 | G | D | -1.8255 | |
| 319 | W | D | 0.0000 | |
| 320 | R | D | -1.7295 | |
| 321 | V | D | 0.0000 | |
| 322 | A | D | 0.0000 | |
| 323 | W | D | 0.0000 | |
| 324 | V | D | 0.0000 | |
| 325 | Q | D | -1.7282 | |
| 326 | R | D | -2.3129 | |
| 327 | Q | D | -1.9311 | |
| 328 | E | D | -1.6966 | |
| 329 | L | D | 0.0000 | |
| 330 | A | D | 0.0000 | |
| 331 | P | D | -0.1089 | |
| 332 | S | D | 0.0000 | |
| 333 | P | D | 0.0000 | |
| 334 | L | D | 0.0000 | |
| 335 | Y | D | 0.0000 | |
| 336 | R | D | 0.0000 | |
| 337 | T | D | 0.0000 | |
| 338 | L | D | 0.0000 | |
| 339 | Q | D | 0.0000 | |
| 340 | I | D | 0.0000 | |
| 341 | R | D | 0.0000 | |
| 342 | P | D | 0.0000 | |
| 343 | A | D | 0.0000 | |
| 344 | P | D | -0.6820 | |
| 345 | R | D | -0.8228 | |
| 346 | A | D | -0.7920 | |
| 347 | R | D | -1.7202 | |
| 348 | L | D | 0.0000 | |
| 349 | V | D | 0.0000 | |
| 350 | E | D | -1.8301 | |
| 351 | I | D | 0.0000 | |
| 352 | L | D | 0.0000 | |
| 353 | L | D | -0.3524 | |
| 354 | P | D | -0.3267 | |
| 355 | W | D | -0.1545 | |
| 356 | R | D | 0.0000 | |
| 357 | P | D | -0.2490 | |
| 358 | Y | D | 0.0000 | |
| 359 | L | D | 0.0000 | |
| 360 | Q | D | -0.3820 | |
| 361 | S | D | 0.0000 | |
| 362 | C | D | 0.0000 | |
| 363 | A | D | 0.0000 | |
| 364 | L | D | 0.0000 | |
| 365 | I | D | 0.0000 | |
| 366 | A | D | -1.3498 | |
| 367 | E | D | -2.2129 | |
| 368 | T | D | -1.7481 | |
| 369 | N | D | -1.8718 | |
| 370 | E | D | -1.4074 | |
| 371 | L | D | 0.0000 | |
| 372 | P | D | -0.9775 | |
| 373 | M | D | -0.6316 | |
| 374 | L | D | 0.0000 | |
| 375 | S | D | 0.0000 | |
| 376 | R | D | -0.6797 | |
| 377 | Q | D | -0.2838 | |
| 378 | L | D | 0.0000 | |
| 379 | L | D | 0.0000 | |
| 380 | A | D | 0.0315 | |
| 381 | A | D | 0.0000 | |
| 382 | G | D | 0.0000 | |
| 383 | V | D | 0.0000 | |
| 384 | S | D | 0.0000 | |
| 385 | R | D | -0.5054 | |
| 386 | V | D | 0.0000 | |
| 387 | C | D | 0.0000 | |
| 388 | Q | D | -0.6656 | |
| 389 | A | D | -0.3687 | |
| 390 | G | D | -0.6132 | |
| 391 | A | D | -0.9671 | |
| 392 | M | D | 0.0000 | |
| 393 | H | D | -1.0013 | |
| 394 | D | D | -2.1078 | |
| 395 | G | D | -1.6182 | |
| 396 | Y | D | -0.9383 | |
| 397 | E | D | -1.4272 | |
| 398 | G | D | 0.0000 | |
| 399 | E | D | 0.0000 | |
| 400 | P | D | 0.0000 | |
| 401 | H | D | -1.2346 | |
| 402 | D | D | -0.9413 | |
| 403 | G | D | 0.0000 | |
| 404 | V | D | -0.3863 | |
| 405 | Y | D | 0.0000 | |
| 406 | A | D | 0.0000 | |
| 407 | L | D | 0.0000 | |
| 408 | T | D | -0.1197 | |
| 409 | R | D | -0.3238 | |
| 410 | L | D | 0.0000 | |
| 411 | A | D | 0.0000 | |
| 412 | R | D | 0.0000 | |
| 413 | R | D | -0.3916 | |
| 414 | V | D | 0.0000 | |
| 415 | S | D | 0.0000 | |
| 416 | V | D | 0.0000 | |
| 417 | S | D | -0.6796 | |
| 418 | L | D | 0.0000 | |
| 419 | K | D | -1.2350 | |
| 420 | A | D | -1.2550 | |
| 421 | E | D | -2.0727 | |
| 422 | Q | D | -1.5869 | |
| 423 | L | D | 0.0000 | |
| 424 | P | D | -1.0065 | |
| 425 | G | D | -0.5416 | |
| 426 | H | D | 0.0000 | |
| 427 | V | D | 0.0000 | |
| 428 | T | D | -0.5017 | |
| 429 | L | D | 0.0000 | |
| 430 | D | D | -1.1693 | |
| 431 | K | D | -1.5029 | |
| 432 | L | D | -0.5153 | |
| 433 | A | D | -0.1395 | |
| 434 | V | D | 0.7836 | |
| 435 | N | D | -0.9490 | |
| 436 | P | D | -0.6954 | |
| 437 | P | D | -1.0158 | |
| 438 | E | D | -2.0214 | |
| 439 | L | D | -0.8689 | |
| 440 | A | D | -0.5724 | |
| 441 | G | D | -0.5259 | |
| 442 | V | D | -0.3261 | |
| 443 | P | D | -0.5879 | |
| 444 | V | D | -0.7804 | |
| 445 | M | D | 0.0000 | |
| 446 | D | D | -2.8267 | |
| 447 | K | D | -2.9117 | |
| 448 | E | D | -3.6420 | |
| 449 | K | D | -3.1737 | |
| 450 | F | D | 0.0000 | |
| 451 | Q | D | -2.2243 | |
| 452 | Q | D | -2.4502 | |
| 453 | N | D | -1.1577 | |
| 454 | G | D | -0.4418 | |
| 455 | V | D | 0.2950 | |
| 456 | T | D | -0.2316 | |
| 457 | S | D | -0.9671 | |
| 458 | K | D | -2.0606 | |
| 459 | A | D | 0.0000 | |
| 460 | Q | D | -0.9683 | |
| 461 | V | D | 0.0000 | |
| 462 | F | D | 0.0000 | |
| 463 | F | D | 0.0000 | |
| 464 | R | D | -0.5041 | |
| 465 | S | D | 0.0000 | |
| 466 | G | D | -0.7263 | |
| 467 | G | D | -1.4461 | |
| 468 | S | D | -0.9387 | |
| 469 | S | D | -1.0669 | |
| 470 | G | D | -0.8212 | |
| 471 | T | D | -0.7063 | |
| 472 | P | D | -0.8977 | |
| 473 | K | D | -1.2359 | |
| 474 | L | D | 0.0000 | |
| 475 | A | D | 0.0000 | |
| 476 | G | D | 0.0000 | |
| 477 | F | D | 0.0000 | |
| 478 | S | D | 0.0000 | |
| 479 | H | D | 0.0000 | |
| 480 | R | D | -2.2782 | |
| 481 | D | D | 0.0000 | |
| 482 | Y | D | 0.0000 | |
| 483 | H | D | -1.1228 | |
| 484 | S | D | -1.3442 | |
| 485 | Q | D | 0.0000 | |
| 486 | M | D | 0.0000 | |
| 487 | Q | D | -0.5342 | |
| 488 | A | D | -0.6399 | |
| 489 | A | D | 0.0000 | |
| 490 | A | D | 0.0000 | |
| 491 | D | D | -0.4014 | |
| 492 | G | D | 0.0000 | |
| 493 | L | D | 0.0000 | |
| 494 | F | D | 0.0000 | |
| 495 | S | D | 0.0000 | |
| 496 | A | D | 0.0000 | |
| 497 | G | D | -0.3862 | |
| 498 | L | D | 0.0000 | |
| 499 | D | D | -0.9122 | |
| 500 | P | D | 0.0000 | |
| 501 | A | D | -0.7696 | |
| 502 | Q | D | -1.4232 | |
| 503 | D | D | 0.0000 | |
| 504 | R | D | -1.3029 | |
| 505 | V | D | 0.0000 | |
| 506 | M | D | 0.0000 | |
| 507 | N | D | 0.0000 | |
| 508 | L | D | 0.0000 | |
| 509 | L | D | 0.0000 | |
| 510 | Y | D | 1.1678 | |
| 511 | G | D | 0.0000 | |
| 512 | S | D | 0.4650 | |
| 513 | N | D | 0.0923 | |
| 514 | L | D | 0.0000 | |
| 515 | Y | D | 0.6498 | |
| 516 | G | D | 0.3708 | |
| 517 | G | D | 0.4566 | |
| 518 | L | D | 0.0000 | |
| 519 | L | D | 0.0000 | |
| 520 | S | D | -0.0549 | |
| 521 | F | D | 0.0000 | |
| 522 | F | D | 0.0000 | |
| 523 | T | D | 0.0000 | |
| 524 | I | D | 0.0000 | |
| 525 | L | D | 0.0000 | |
| 526 | D | D | -0.4576 | |
| 527 | K | D | -0.6081 | |
| 528 | L | D | 0.0000 | |
| 529 | S | D | -0.6355 | |
| 530 | V | D | 0.0000 | |
| 531 | P | D | -0.7741 | |
| 532 | H | D | 0.0000 | |
| 533 | Y | D | 0.0000 | |
| 534 | P | D | 0.0000 | |
| 535 | M | D | 0.0000 | |
| 536 | G | D | 0.0000 | |
| 537 | G | D | 0.0672 | |
| 538 | P | D | -0.4765 | |
| 539 | I | D | 0.0575 | |
| 540 | N | D | -1.6808 | |
| 541 | D | D | -2.6042 | |
| 542 | D | D | -2.1034 | |
| 543 | F | D | 0.0000 | |
| 544 | S | D | -1.3370 | |
| 545 | Q | D | -0.7669 | |
| 546 | I | D | 0.0000 | |
| 547 | R | D | -1.1662 | |
| 548 | H | D | -0.8688 | |
| 549 | F | D | 0.0000 | |
| 550 | I | D | 0.0000 | |
| 551 | V | D | -0.5278 | |
| 552 | T | D | -0.6247 | |
| 553 | Q | D | -1.1371 | |
| 554 | R | D | -1.9513 | |
| 555 | V | D | 0.0000 | |
| 556 | N | D | -1.5248 | |
| 557 | T | D | 0.0000 | |
| 558 | L | D | 0.0000 | |
| 559 | I | D | 0.0000 | |
| 560 | G | D | 0.0000 | |
| 561 | M | D | -0.3525 | |
| 562 | P | D | 0.0000 | |
| 563 | S | D | -0.5270 | |
| 564 | T | D | -0.5158 | |
| 565 | I | D | 0.0000 | |
| 566 | Y | D | -0.7693 | |
| 567 | Q | D | -1.7502 | |
| 568 | L | D | 0.0000 | |
| 569 | F | D | 0.0000 | |
| 570 | E | D | -2.5315 | |
| 571 | R | D | -3.1820 | |
| 572 | E | D | -2.1367 | |
| 573 | G | D | -1.8468 | |
| 574 | A | D | -1.1331 | |
| 575 | A | D | -0.9088 | |
| 576 | L | D | 0.0000 | |
| 577 | R | D | -1.9558 | |
| 578 | A | D | -0.7672 | |
| 579 | Y | D | -0.7637 | |
| 580 | G | D | -1.3326 | |
| 581 | G | D | 0.0000 | |
| 582 | V | D | 0.0000 | |
| 583 | R | D | -2.1691 | |
| 584 | K | D | -1.3455 | |
| 585 | I | D | 0.0000 | |
| 586 | F | D | 0.0000 | |
| 587 | A | D | 0.0000 | |
| 588 | G | D | 0.0000 | |
| 589 | G | D | -1.5394 | |
| 590 | E | D | -2.4791 | |
| 591 | H | D | -2.4031 | |
| 592 | I | D | -2.1864 | |
| 593 | S | D | -2.7083 | |
| 594 | E | D | -3.9214 | |
| 595 | E | D | -3.6134 | |
| 596 | R | D | -2.6668 | |
| 597 | R | D | -3.1697 | |
| 598 | Q | D | -2.9109 | |
| 599 | F | D | -1.6503 | |
| 600 | L | D | 0.0000 | |
| 601 | S | D | -1.5308 | |
| 602 | S | D | -1.0811 | |
| 603 | F | D | 0.0000 | |
| 604 | G | D | -1.3077 | |
| 605 | I | D | 0.0000 | |
| 606 | Q | D | -1.6753 | |
| 607 | V | D | -0.9591 | |
| 608 | I | D | -0.8200 | |
| 609 | R | D | -0.9372 | |
| 610 | S | D | -0.8501 | |
| 611 | A | D | 0.0000 | |
| 612 | I | D | -0.0269 | |
| 613 | Y | D | 0.0000 | |
| 614 | G | D | -0.1655 | |
| 615 | S | D | 0.1130 | |
| 616 | V | D | 0.5432 | |
| 617 | D | D | 0.0000 | |
| 618 | A | D | 0.0000 | |
| 619 | G | D | 0.0000 | |
| 620 | P | D | 0.0000 | |
| 621 | L | D | 0.0000 | |
| 622 | G | D | 0.0000 | |
| 623 | H | D | 0.0000 | |
| 624 | A | D | 0.0000 | |
| 625 | C | D | 0.0000 | |
| 626 | T | D | -0.0738 | |
| 627 | C | D | -0.0727 | |
| 628 | C | D | -0.8232 | |
| 629 | H | D | -1.8940 | |
| 630 | D | D | -2.6589 | |
| 631 | G | D | 0.0000 | |
| 632 | E | D | 0.0000 | |
| 633 | F | D | 0.0000 | |
| 634 | H | D | 0.0000 | |
| 635 | L | D | 0.0000 | |
| 636 | L | D | 0.0000 | |
| 637 | S | D | -0.6070 | |
| 638 | D | D | -1.5230 | |
| 639 | I | D | 0.0000 | |
| 640 | Q | D | 0.0000 | |
| 641 | W | D | -0.0840 | |
| 642 | L | D | 0.0000 | |
| 643 | E | D | -0.6432 | |
| 644 | I | D | 0.0000 | |
| 645 | L | D | 0.0000 | |
| 646 | A | D | -1.5704 | |
| 647 | L | D | -1.5388 | |
| 648 | D | D | -2.2786 | |
| 649 | S | D | -2.1497 | |
| 650 | D | D | -2.7877 | |
| 651 | Q | D | -2.5378 | |
| 652 | P | D | -1.5342 | |
| 653 | I | D | -1.1985 | |
| 654 | Q | D | -1.5300 | |
| 655 | P | D | -0.9407 | |
| 656 | G | D | -1.0201 | |
| 657 | E | D | -0.9638 | |
| 658 | T | D | -0.2981 | |
| 659 | G | D | 0.0000 | |
| 660 | R | D | -1.1013 | |
| 661 | L | D | 0.0000 | |
| 662 | V | D | 0.0000 | |
| 663 | F | D | 0.0000 | |
| 664 | T | D | 0.0000 | |
| 665 | P | D | 0.0000 | |
| 666 | L | D | -0.0808 | |
| 667 | A | D | -0.4352 | |
| 668 | R | D | -0.4597 | |
| 669 | E | D | -0.8201 | |
| 670 | G | D | 0.0000 | |
| 671 | Q | D | 0.0000 | |
| 672 | V | D | 1.2310 | |
| 673 | I | D | 0.0000 | |
| 674 | Q | D | -0.4702 | |
| 675 | R | D | -0.7351 | |
| 676 | Y | D | 0.0000 | |
| 677 | D | D | -0.9175 | |
| 678 | L | D | -0.9115 | |
| 679 | G | D | -1.4264 | |
| 680 | D | D | 0.0000 | |
| 681 | L | D | 0.0000 | |
| 682 | G | D | 0.0000 | |
| 683 | H | D | -0.4448 | |
| 684 | W | D | -0.2598 | |
| 685 | L | D | -0.0140 | |
| 686 | P | D | -0.1148 | |
| 687 | G | D | 0.1904 | |
| 688 | L | D | 1.2574 | |
| 689 | C | D | 0.0000 | |
| 690 | A | D | 0.3423 | |
| 691 | C | D | 0.2232 | |
| 692 | G | D | -0.0477 | |
| 693 | L | D | -0.0069 | |
| 694 | P | D | -0.0601 | |
| 695 | A | D | -0.0304 | |
| 696 | P | D | 0.0956 | |
| 697 | R | D | -0.1258 | |
| 698 | F | D | 0.0000 | |
| 699 | R | D | -0.8475 | |
| 700 | L | D | -0.6720 | |
| 701 | V | D | -0.7818 | |
| 702 | G | D | -1.5890 | |
| 703 | R | D | -2.4540 | |
| 704 | H | D | -2.0943 | |
| 705 | G | D | -1.3745 | |
| 706 | T | D | -1.0765 | |
| 707 | L | D | 0.0000 | |
| 708 | I | D | -0.6237 | |
| 709 | R | D | -1.3744 | |
| 710 | V | D | 0.0000 | |
| 711 | G | D | 0.0000 | |
| 712 | S | D | -0.4080 | |
| 713 | I | D | 0.0000 | |
| 714 | F | D | -0.2535 | |
| 715 | V | D | 0.0000 | |
| 716 | N | D | 0.0000 | |
| 717 | P | D | 0.0000 | |
| 718 | T | D | -0.6689 | |
| 719 | E | D | -1.5715 | |
| 720 | L | D | 0.0000 | |
| 721 | S | D | -0.5003 | |
| 722 | A | D | -0.8732 | |
| 723 | G | D | -0.8723 | |
| 724 | L | D | -0.3460 | |
| 725 | A | D | -0.1111 | |
| 726 | F | D | -0.1648 | |
| 727 | P | D | -0.2660 | |
| 728 | V | D | 0.0380 | |
| 729 | Q | D | 0.0000 | |
| 730 | W | D | 0.0000 | |
| 731 | L | D | -0.2023 | |
| 732 | I | D | 0.0000 | |
| 733 | G | D | 0.0000 | |
| 734 | N | D | -2.2265 | |
| 735 | H | D | -1.7614 | |
| 736 | A | D | -0.9907 | |
| 737 | G | D | -1.1841 | |
| 738 | G | D | -1.3655 | |
| 739 | G | D | -1.3036 | |
| 740 | E | D | -1.4143 | |
| 741 | Y | D | -1.0492 | |
| 742 | I | D | 0.0000 | |
| 743 | H | D | -0.4876 | |
| 744 | V | D | 0.0000 | |
| 745 | L | D | 0.0000 | |
| 746 | A | D | 0.0000 | |
| 747 | E | D | -1.6870 | |
| 748 | G | D | -1.4492 | |
| 749 | D | D | -1.8758 | |
| 750 | V | D | -1.5639 | |
| 751 | N | D | -2.2630 | |
| 752 | Q | D | -2.2888 | |
| 753 | V | D | 0.0000 | |
| 754 | R | D | -1.9864 | |
| 755 | G | D | -1.7526 | |
| 756 | H | D | -1.4746 | |
| 757 | L | D | 0.0000 | |
| 758 | M | D | -1.6369 | |
| 759 | Q | D | -2.0372 | |
| 760 | H | D | -1.9470 | |
| 761 | K | D | -2.6041 | |
| 762 | M | D | -1.5411 | |
| 763 | L | D | 0.0000 | |
| 764 | N | D | -2.0550 | |
| 765 | Q | D | -1.9136 | |
| 766 | V | D | 0.0000 | |
| 767 | V | D | -0.8312 | |
| 768 | S | D | -0.9781 | |
| 769 | G | D | -0.9833 | |
| 770 | G | D | -0.7639 | |
| 771 | M | D | 0.0630 | |
| 772 | L | D | 0.0000 | |
| 773 | Q | D | -1.4384 | |
| 774 | L | D | 0.0000 | |
| 775 | E | D | -1.3873 | |
| 776 | I | D | 0.0000 | |
| 777 | I | D | -0.1219 | |
| 778 | P | D | -0.6042 | |
| 779 | T | D | -1.0329 | |
| 780 | P | D | -1.2081 | |
| 781 | A | D | -1.3132 | |
| 782 | G | D | -1.7174 | |
| 783 | Q | D | -2.3673 | |
| 784 | F | D | 0.0000 | |
| 785 | R | D | -3.3820 | |
| 786 | R | D | -3.9842 | |
| 787 | H | D | -2.8247 | |
| 788 | P | D | -2.1316 | |
| 789 | Q | D | -2.1048 | |
| 790 | S | D | -1.9599 | |
| 791 | G | D | -2.5055 | |
| 792 | K | D | -3.0639 | |
| 793 | T | D | -2.3990 | |
| 794 | P | D | -1.0354 | |
| 795 | L | D | -0.0366 | |
| 796 | V | D | 0.0932 | |
| 797 | L | D | -0.5972 | |
| 798 | D | D | -0.6578 | |
| 799 | S | D | -0.8047 | |
| 800 | R | D | -1.1041 | |
| 801 | T | D | -0.5892 |
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 | -0.4519 | 3.6415 | View | CSV | PDB |
| 4.5 | -0.5026 | 3.6416 | View | CSV | PDB |
| 5.0 | -0.5632 | 3.6408 | View | CSV | PDB |
| 5.5 | -0.6244 | 3.6379 | View | CSV | PDB |
| 6.0 | -0.6772 | 3.6333 | View | CSV | PDB |
| 6.5 | -0.7158 | 3.628 | View | CSV | PDB |
| 7.0 | -0.7404 | 3.6226 | View | CSV | PDB |
| 7.5 | -0.7559 | 3.6185 | View | CSV | PDB |
| 8.0 | -0.7656 | 3.6185 | View | CSV | PDB |
| 8.5 | -0.7689 | 3.6185 | View | CSV | PDB |
| 9.0 | -0.7646 | 3.6185 | 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