| Chain sequence(s) |
A: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR
C: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR B: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR D: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR input PDB |
| Selected Chain(s) | A,C,B,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:12)
[INFO] FoldX: Starting FoldX energy minimization (00:00:13)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:56:00)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/fef186503a8b357/tmp/folded.pdb (00:56:00)
[INFO] Main: Simulation completed successfully. (01:47:11)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | A | A | -1.3494 | |
| 2 | K | A | -2.5875 | |
| 3 | F | A | 0.0000 | |
| 4 | P | A | -2.1547 | |
| 5 | K | A | -2.6063 | |
| 6 | N | A | -1.8988 | |
| 7 | F | A | 0.0000 | |
| 8 | M | A | -0.8230 | |
| 9 | F | A | 0.0000 | |
| 10 | G | A | 0.0000 | |
| 11 | Y | A | 0.0000 | |
| 12 | S | A | 0.0000 | |
| 13 | W | A | 0.0000 | |
| 14 | S | A | 0.0000 | |
| 15 | G | A | -0.0619 | |
| 16 | F | A | 0.0000 | |
| 17 | Q | A | 0.0000 | |
| 18 | F | A | 0.0000 | |
| 19 | E | A | 0.0000 | |
| 20 | M | A | 0.0000 | |
| 21 | G | A | -1.2490 | |
| 22 | L | A | -0.5193 | |
| 23 | P | A | -0.8281 | |
| 24 | G | A | -1.0908 | |
| 25 | S | A | 0.0000 | |
| 26 | E | A | -2.4267 | |
| 27 | V | A | -1.7275 | |
| 28 | E | A | -1.9271 | |
| 29 | S | A | 0.0000 | |
| 30 | D | A | 0.0000 | |
| 31 | W | A | 0.0000 | |
| 32 | W | A | -0.1223 | |
| 33 | V | A | 0.0149 | |
| 34 | W | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | H | A | -0.1647 | |
| 37 | D | A | -0.6465 | |
| 38 | K | A | -1.2370 | |
| 39 | E | A | 0.0000 | |
| 40 | N | A | 0.0000 | |
| 41 | I | A | 0.4882 | |
| 42 | A | A | 0.1536 | |
| 43 | S | A | -0.3174 | |
| 44 | G | A | -0.2013 | |
| 45 | L | A | 0.0000 | |
| 46 | V | A | 0.1347 | |
| 47 | S | A | -0.1960 | |
| 48 | G | A | -0.0394 | |
| 49 | D | A | -0.4195 | |
| 50 | L | A | 0.5173 | |
| 51 | P | A | 0.0000 | |
| 52 | E | A | -1.5343 | |
| 53 | N | A | -1.6536 | |
| 54 | G | A | 0.0000 | |
| 55 | P | A | 0.0000 | |
| 56 | A | A | 0.0000 | |
| 57 | Y | A | 0.0000 | |
| 58 | W | A | 0.0000 | |
| 59 | H | A | -0.6181 | |
| 60 | L | A | -0.5906 | |
| 61 | Y | A | -1.1780 | |
| 62 | K | A | -2.2971 | |
| 63 | Q | A | -2.0911 | |
| 64 | D | A | 0.0000 | |
| 65 | H | A | 0.0000 | |
| 66 | D | A | -2.1292 | |
| 67 | I | A | -1.4926 | |
| 68 | A | A | 0.0000 | |
| 69 | E | A | -2.6097 | |
| 70 | K | A | -2.5803 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | -1.8231 | |
| 73 | M | A | 0.0000 | |
| 74 | D | A | -1.2494 | |
| 75 | C | A | 0.0000 | |
| 76 | I | A | 0.0000 | |
| 77 | R | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | G | A | -0.0843 | |
| 80 | I | A | 0.0000 | |
| 81 | E | A | 0.0000 | |
| 82 | W | A | 0.0000 | |
| 83 | A | A | -0.5229 | |
| 84 | R | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | P | A | -1.2637 | |
| 88 | K | A | -1.9065 | |
| 89 | P | A | -0.8399 | |
| 90 | T | A | 0.0000 | |
| 91 | F | A | -0.4571 | |
| 92 | D | A | -1.6592 | |
| 93 | V | A | -1.3244 | |
| 94 | K | A | -2.3938 | |
| 95 | V | A | -1.9171 | |
| 96 | D | A | -2.8602 | |
| 97 | V | A | -1.9150 | |
| 98 | E | A | -2.7096 | |
| 99 | K | A | -3.2512 | |
| 100 | D | A | -3.5324 | |
| 101 | E | A | -3.6984 | |
| 102 | E | A | -3.4396 | |
| 103 | G | A | -2.6971 | |
| 104 | N | A | -1.7697 | |
| 105 | I | A | 0.0000 | |
| 106 | I | A | 0.0214 | |
| 107 | S | A | -1.2150 | |
| 108 | V | A | 0.0000 | |
| 109 | D | A | -3.0363 | |
| 110 | V | A | 0.0000 | |
| 111 | P | A | -2.2740 | |
| 112 | E | A | -2.2747 | |
| 113 | S | A | -1.8724 | |
| 114 | T | A | 0.0000 | |
| 115 | I | A | 0.0000 | |
| 116 | K | A | -2.8162 | |
| 117 | E | A | -2.7013 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | -2.2841 | |
| 120 | K | A | -2.7191 | |
| 121 | I | A | -1.7582 | |
| 122 | A | A | -1.7258 | |
| 123 | N | A | -1.6201 | |
| 124 | M | A | -1.6289 | |
| 125 | E | A | -2.5442 | |
| 126 | A | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | E | A | -3.0452 | |
| 129 | H | A | -2.1515 | |
| 130 | Y | A | 0.0000 | |
| 131 | R | A | -2.2674 | |
| 132 | K | A | -1.9111 | |
| 133 | I | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | S | A | -2.1540 | |
| 136 | D | A | 0.0000 | |
| 137 | W | A | 0.0000 | |
| 138 | K | A | -3.2690 | |
| 139 | E | A | -3.0958 | |
| 140 | R | A | -2.5628 | |
| 141 | G | A | -2.2553 | |
| 142 | K | A | -2.0501 | |
| 143 | T | A | -1.1524 | |
| 144 | F | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | N | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | Y | A | 0.0000 | |
| 150 | H | A | -0.1274 | |
| 151 | W | A | 0.0000 | |
| 152 | P | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | L | A | 0.0255 | |
| 156 | W | A | -0.0357 | |
| 157 | I | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | D | A | -0.5291 | |
| 160 | P | A | 0.0000 | |
| 161 | I | A | 0.1944 | |
| 162 | A | A | -0.2455 | |
| 163 | V | A | 0.0000 | |
| 164 | R | A | 0.0000 | |
| 165 | K | A | -0.0897 | |
| 166 | L | A | -0.3885 | |
| 167 | G | A | 0.0000 | |
| 168 | P | A | -1.6695 | |
| 169 | D | A | -2.6793 | |
| 170 | R | A | -2.5685 | |
| 171 | A | A | 0.0000 | |
| 172 | P | A | -1.1567 | |
| 173 | A | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | W | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | D | A | -2.8368 | |
| 178 | E | A | -3.0033 | |
| 179 | K | A | -1.9934 | |
| 180 | T | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | V | A | 0.0000 | |
| 183 | E | A | 0.0000 | |
| 184 | F | A | 0.0000 | |
| 185 | V | A | 0.0000 | |
| 186 | K | A | 0.0000 | |
| 187 | F | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | A | A | 0.0000 | |
| 190 | F | A | 0.0000 | |
| 191 | V | A | 0.0000 | |
| 192 | A | A | 0.0000 | |
| 193 | Y | A | -0.4282 | |
| 194 | H | A | -0.4952 | |
| 195 | L | A | 0.0000 | |
| 196 | D | A | -1.8281 | |
| 197 | D | A | -2.4574 | |
| 198 | L | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | D | A | -1.7639 | |
| 201 | M | A | -0.8753 | |
| 202 | W | A | 0.0000 | |
| 203 | S | A | 0.0000 | |
| 204 | T | A | 0.0000 | |
| 205 | M | A | 0.0000 | |
| 206 | N | A | 0.0000 | |
| 207 | E | A | -0.1927 | |
| 208 | P | A | 0.0000 | |
| 209 | N | A | -0.5058 | |
| 210 | V | A | -0.0784 | |
| 211 | V | A | 0.0000 | |
| 212 | Y | A | 0.0000 | |
| 213 | N | A | -0.6075 | |
| 214 | Q | A | -0.7162 | |
| 215 | G | A | 0.0000 | |
| 216 | Y | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | N | A | -0.9447 | |
| 219 | L | A | 0.0000 | |
| 220 | R | A | -2.1736 | |
| 221 | S | A | -1.0783 | |
| 222 | G | A | 0.0000 | |
| 223 | F | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | G | A | -0.3944 | |
| 227 | Y | A | 0.0000 | |
| 228 | L | A | -0.0874 | |
| 229 | S | A | 0.0000 | |
| 230 | F | A | -0.9352 | |
| 231 | E | A | -2.2866 | |
| 232 | A | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | E | A | -2.4402 | |
| 235 | K | A | -2.3342 | |
| 236 | A | A | 0.0000 | |
| 237 | K | A | -1.1102 | |
| 238 | F | A | -0.1145 | |
| 239 | N | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | I | A | 0.0000 | |
| 242 | Q | A | 0.0000 | |
| 243 | A | A | 0.0000 | |
| 244 | H | A | 0.0000 | |
| 245 | I | A | 0.0000 | |
| 246 | G | A | 0.0000 | |
| 247 | A | A | 0.0000 | |
| 248 | Y | A | -0.9273 | |
| 249 | D | A | -2.0412 | |
| 250 | A | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | K | A | -2.4604 | |
| 253 | E | A | -2.7540 | |
| 254 | Y | A | -1.5318 | |
| 255 | S | A | 0.0000 | |
| 256 | E | A | -2.7119 | |
| 257 | K | A | -1.8747 | |
| 258 | S | A | -1.0759 | |
| 259 | V | A | 0.0000 | |
| 260 | G | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | I | A | 0.0000 | |
| 263 | Y | A | 0.0000 | |
| 264 | A | A | -0.1514 | |
| 265 | F | A | 0.0000 | |
| 266 | A | A | -0.0577 | |
| 267 | W | A | 0.0000 | |
| 268 | H | A | 0.0000 | |
| 269 | D | A | -0.3754 | |
| 270 | P | A | -1.2409 | |
| 271 | L | A | 0.0156 | |
| 272 | A | A | -1.3021 | |
| 273 | E | A | -3.1678 | |
| 274 | E | A | -3.3712 | |
| 275 | Y | A | -3.2771 | |
| 276 | K | A | -4.1143 | |
| 277 | D | A | -4.3027 | |
| 278 | E | A | -3.9375 | |
| 279 | V | A | 0.0000 | |
| 280 | E | A | -3.3989 | |
| 281 | E | A | -3.8258 | |
| 282 | I | A | -2.6093 | |
| 283 | R | A | 0.0000 | |
| 284 | K | A | -3.5906 | |
| 285 | K | A | -3.7475 | |
| 286 | D | A | -3.0103 | |
| 287 | Y | A | 0.0000 | |
| 288 | E | A | -2.4338 | |
| 289 | F | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | T | A | -1.0911 | |
| 292 | I | A | -0.3364 | |
| 293 | L | A | 0.0000 | |
| 294 | H | A | -1.1417 | |
| 295 | S | A | -0.8925 | |
| 296 | K | A | -1.4943 | |
| 297 | G | A | -1.2952 | |
| 298 | K | A | -1.1716 | |
| 299 | L | A | 0.0000 | |
| 300 | D | A | -0.5654 | |
| 301 | W | A | 0.0000 | |
| 302 | I | A | 0.0000 | |
| 303 | G | A | 0.0000 | |
| 304 | V | A | 0.0000 | |
| 305 | N | A | 0.0000 | |
| 306 | Y | A | 0.0000 | |
| 307 | Y | A | 0.2850 | |
| 308 | S | A | 0.0000 | |
| 309 | R | A | -0.0252 | |
| 310 | L | A | 0.4288 | |
| 311 | V | A | 0.0000 | |
| 312 | Y | A | 0.0000 | |
| 313 | G | A | 0.0000 | |
| 314 | A | A | -0.9914 | |
| 315 | K | A | -2.4577 | |
| 316 | D | A | -2.8476 | |
| 317 | G | A | -2.3039 | |
| 318 | H | A | -1.9011 | |
| 319 | L | A | 0.0000 | |
| 320 | V | A | 0.2931 | |
| 321 | P | A | 0.6738 | |
| 322 | L | A | 0.5935 | |
| 323 | P | A | -0.1539 | |
| 324 | G | A | -0.8454 | |
| 325 | Y | A | -0.2751 | |
| 326 | G | A | 0.0000 | |
| 327 | F | A | 0.9291 | |
| 328 | M | A | 0.4672 | |
| 329 | S | A | -1.0350 | |
| 330 | E | A | -2.7266 | |
| 331 | R | A | -2.7588 | |
| 332 | G | A | -1.7343 | |
| 333 | G | A | -1.3437 | |
| 334 | F | A | -1.2681 | |
| 335 | A | A | 0.0000 | |
| 336 | K | A | -2.1868 | |
| 337 | S | A | -1.2612 | |
| 338 | G | A | 0.0000 | |
| 339 | R | A | -1.2007 | |
| 340 | P | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | D | A | -1.8828 | |
| 344 | F | A | -0.6513 | |
| 345 | G | A | 0.0000 | |
| 346 | W | A | 0.0439 | |
| 347 | E | A | 0.0000 | |
| 348 | M | A | 0.0000 | |
| 349 | Y | A | 0.0000 | |
| 350 | P | A | -1.3978 | |
| 351 | E | A | -2.2872 | |
| 352 | G | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | E | A | -1.7333 | |
| 355 | N | A | -1.3562 | |
| 356 | L | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | K | A | -1.7194 | |
| 359 | Y | A | -0.7723 | |
| 360 | L | A | 0.0000 | |
| 361 | N | A | -1.6615 | |
| 362 | N | A | -1.7805 | |
| 363 | A | A | -1.0062 | |
| 364 | Y | A | -1.1416 | |
| 365 | E | A | -2.2177 | |
| 366 | L | A | -1.1135 | |
| 367 | P | A | -0.8338 | |
| 368 | M | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | E | A | 0.0000 | |
| 373 | N | A | 0.0000 | |
| 374 | G | A | 0.0000 | |
| 375 | M | A | 0.0000 | |
| 376 | A | A | 0.0000 | |
| 377 | D | A | 0.0000 | |
| 378 | A | A | -0.5314 | |
| 379 | A | A | 0.0000 | |
| 380 | D | A | 0.0000 | |
| 381 | R | A | -0.3937 | |
| 382 | Y | A | 0.0000 | |
| 383 | R | A | 0.0000 | |
| 384 | P | A | 0.0000 | |
| 385 | H | A | 0.0000 | |
| 386 | Y | A | 0.0000 | |
| 387 | L | A | 0.0000 | |
| 388 | V | A | 0.0000 | |
| 389 | S | A | 0.0000 | |
| 390 | H | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | K | A | -1.4473 | |
| 393 | A | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | Y | A | -1.2268 | |
| 396 | N | A | -2.1490 | |
| 397 | A | A | 0.0000 | |
| 398 | M | A | 0.0000 | |
| 399 | K | A | -2.9505 | |
| 400 | E | A | -3.1538 | |
| 401 | G | A | -2.2565 | |
| 402 | A | A | -2.1270 | |
| 403 | D | A | -1.9478 | |
| 404 | V | A | 0.0000 | |
| 405 | R | A | -1.3113 | |
| 406 | G | A | 0.0000 | |
| 407 | Y | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | H | A | 0.0000 | |
| 410 | W | A | 0.0000 | |
| 411 | S | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | T | A | 0.0000 | |
| 414 | D | A | 0.0000 | |
| 415 | N | A | 0.0000 | |
| 416 | Y | A | 0.0000 | |
| 417 | E | A | -0.5331 | |
| 418 | W | A | -0.0389 | |
| 419 | A | A | -0.6220 | |
| 420 | Q | A | -0.8391 | |
| 421 | G | A | 0.0000 | |
| 422 | F | A | -0.8953 | |
| 423 | R | A | -2.0231 | |
| 424 | M | A | 0.0000 | |
| 425 | R | A | -0.5540 | |
| 426 | F | A | 0.0661 | |
| 427 | G | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | Y | A | 0.0000 | |
| 431 | V | A | 0.0000 | |
| 432 | D | A | -1.4007 | |
| 433 | F | A | -1.5019 | |
| 434 | E | A | -2.3355 | |
| 435 | T | A | -1.5420 | |
| 436 | K | A | -1.5320 | |
| 437 | K | A | -1.9593 | |
| 438 | R | A | -1.3365 | |
| 439 | Y | A | -0.8565 | |
| 440 | L | A | -0.2501 | |
| 441 | R | A | 0.0000 | |
| 442 | P | A | 0.0000 | |
| 443 | S | A | 0.0000 | |
| 444 | A | A | 0.0000 | |
| 445 | L | A | 0.0000 | |
| 446 | V | A | 0.0000 | |
| 447 | F | A | 0.0000 | |
| 448 | R | A | -2.1364 | |
| 449 | E | A | -1.6626 | |
| 450 | I | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | T | A | -1.8429 | |
| 453 | Q | A | -2.2991 | |
| 454 | K | A | -2.7141 | |
| 455 | E | A | -2.1138 | |
| 456 | I | A | -1.4370 | |
| 457 | P | A | -1.7432 | |
| 458 | E | A | -2.2581 | |
| 459 | E | A | -1.8183 | |
| 460 | L | A | 0.0000 | |
| 461 | A | A | -1.3216 | |
| 462 | H | A | -1.2365 | |
| 463 | L | A | 0.0000 | |
| 464 | A | A | -1.2285 | |
| 465 | D | A | -2.2390 | |
| 466 | L | A | 0.0000 | |
| 467 | K | A | -2.2621 | |
| 468 | F | A | -0.9315 | |
| 469 | V | A | -0.9296 | |
| 470 | T | A | -1.5231 | |
| 471 | R | A | -2.2103 | |
| 1 | A | B | -0.9163 | |
| 2 | K | B | -2.1762 | |
| 3 | F | B | 0.0000 | |
| 4 | P | B | -1.9627 | |
| 5 | K | B | -2.8109 | |
| 6 | N | B | -2.3210 | |
| 7 | F | B | 0.0000 | |
| 8 | M | B | -1.0410 | |
| 9 | F | B | 0.0000 | |
| 10 | G | B | 0.0000 | |
| 11 | Y | B | 0.0000 | |
| 12 | S | B | 0.0000 | |
| 13 | W | B | 0.0000 | |
| 14 | S | B | 0.0000 | |
| 15 | G | B | 0.0000 | |
| 16 | F | B | 0.0000 | |
| 17 | Q | B | 0.0000 | |
| 18 | F | B | 0.0000 | |
| 19 | E | B | 0.0000 | |
| 20 | M | B | 0.0000 | |
| 21 | G | B | 0.0000 | |
| 22 | L | B | -0.2208 | |
| 23 | P | B | -0.7696 | |
| 24 | G | B | -1.0100 | |
| 25 | S | B | 0.0000 | |
| 26 | E | B | -2.1122 | |
| 27 | V | B | -1.4515 | |
| 28 | E | B | -1.8506 | |
| 29 | S | B | 0.0000 | |
| 30 | D | B | 0.0000 | |
| 31 | W | B | 0.0000 | |
| 32 | W | B | -0.4424 | |
| 33 | V | B | -0.3136 | |
| 34 | W | B | 0.0000 | |
| 35 | V | B | 0.0000 | |
| 36 | H | B | -0.9590 | |
| 37 | D | B | -0.9909 | |
| 38 | K | B | -1.5626 | |
| 39 | E | B | -0.7556 | |
| 40 | N | B | 0.0000 | |
| 41 | I | B | 0.3643 | |
| 42 | A | B | 0.0593 | |
| 43 | S | B | 0.0000 | |
| 44 | G | B | -0.3402 | |
| 45 | L | B | -0.1967 | |
| 46 | V | B | 0.0000 | |
| 47 | S | B | -0.6744 | |
| 48 | G | B | -0.9035 | |
| 49 | D | B | -1.5803 | |
| 50 | L | B | -0.4900 | |
| 51 | P | B | 0.0000 | |
| 52 | E | B | -1.5465 | |
| 53 | N | B | -1.8567 | |
| 54 | G | B | 0.0000 | |
| 55 | P | B | 0.0000 | |
| 56 | A | B | 0.0000 | |
| 57 | Y | B | 0.0000 | |
| 58 | W | B | 0.0000 | |
| 59 | H | B | -0.5942 | |
| 60 | L | B | -0.4441 | |
| 61 | Y | B | 0.0000 | |
| 62 | K | B | -2.6621 | |
| 63 | Q | B | -2.2779 | |
| 64 | D | B | 0.0000 | |
| 65 | H | B | 0.0000 | |
| 66 | D | B | -3.0798 | |
| 67 | I | B | 0.0000 | |
| 68 | A | B | 0.0000 | |
| 69 | E | B | -2.5174 | |
| 70 | K | B | -2.0208 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | -1.8096 | |
| 73 | M | B | 0.0000 | |
| 74 | D | B | -1.8993 | |
| 75 | C | B | 0.0000 | |
| 76 | I | B | 0.0000 | |
| 77 | R | B | 0.0000 | |
| 78 | G | B | 0.0000 | |
| 79 | G | B | 0.0000 | |
| 80 | I | B | 0.0000 | |
| 81 | E | B | 0.0000 | |
| 82 | W | B | 0.0000 | |
| 83 | A | B | 0.0000 | |
| 84 | R | B | 0.0000 | |
| 85 | I | B | 0.0000 | |
| 86 | F | B | 0.0000 | |
| 87 | P | B | -1.3351 | |
| 88 | K | B | -1.6251 | |
| 89 | P | B | -0.7065 | |
| 90 | T | B | 0.0000 | |
| 91 | F | B | -0.3486 | |
| 92 | D | B | -1.7102 | |
| 93 | V | B | 0.0000 | |
| 94 | K | B | -2.2345 | |
| 95 | V | B | -1.8161 | |
| 96 | D | B | -2.7215 | |
| 97 | V | B | -1.5579 | |
| 98 | E | B | -2.2119 | |
| 99 | K | B | -2.1826 | |
| 100 | D | B | -3.0455 | |
| 101 | E | B | -3.5215 | |
| 102 | E | B | -3.3060 | |
| 103 | G | B | -2.3563 | |
| 104 | N | B | -1.4785 | |
| 105 | I | B | 0.0000 | |
| 106 | I | B | 0.8829 | |
| 107 | S | B | -0.8199 | |
| 108 | V | B | -1.3610 | |
| 109 | D | B | -2.7674 | |
| 110 | V | B | -2.0778 | |
| 111 | P | B | -2.0252 | |
| 112 | E | B | -2.3318 | |
| 113 | S | B | -2.0465 | |
| 114 | T | B | 0.0000 | |
| 115 | I | B | 0.0000 | |
| 116 | K | B | -3.4171 | |
| 117 | E | B | -3.2320 | |
| 118 | L | B | 0.0000 | |
| 119 | E | B | -2.9166 | |
| 120 | K | B | -2.8084 | |
| 121 | I | B | -1.7900 | |
| 122 | A | B | -1.8253 | |
| 123 | N | B | -1.7785 | |
| 124 | M | B | -1.6324 | |
| 125 | E | B | -2.4217 | |
| 126 | A | B | -1.7084 | |
| 127 | L | B | 0.0000 | |
| 128 | E | B | -2.8029 | |
| 129 | H | B | -2.1029 | |
| 130 | Y | B | 0.0000 | |
| 131 | R | B | -2.2939 | |
| 132 | K | B | -2.6060 | |
| 133 | I | B | 0.0000 | |
| 134 | Y | B | 0.0000 | |
| 135 | S | B | -2.3445 | |
| 136 | D | B | -2.4525 | |
| 137 | W | B | 0.0000 | |
| 138 | K | B | -3.1018 | |
| 139 | E | B | -2.9462 | |
| 140 | R | B | -2.4504 | |
| 141 | G | B | -2.1275 | |
| 142 | K | B | -2.1119 | |
| 143 | T | B | -1.2108 | |
| 144 | F | B | 0.0000 | |
| 145 | I | B | 0.0000 | |
| 146 | L | B | 0.0000 | |
| 147 | N | B | 0.0000 | |
| 148 | L | B | 0.0000 | |
| 149 | Y | B | 0.0000 | |
| 150 | H | B | 0.0000 | |
| 151 | W | B | 0.1169 | |
| 152 | P | B | 0.0000 | |
| 153 | L | B | 0.0000 | |
| 154 | P | B | 0.0000 | |
| 155 | L | B | -0.2307 | |
| 156 | W | B | -0.2261 | |
| 157 | I | B | 0.0000 | |
| 158 | H | B | 0.0000 | |
| 159 | D | B | -0.1614 | |
| 160 | P | B | 0.0000 | |
| 161 | I | B | 0.1182 | |
| 162 | A | B | -0.2746 | |
| 163 | V | B | 0.0000 | |
| 164 | R | B | 0.0000 | |
| 165 | K | B | -0.0157 | |
| 166 | L | B | -0.3709 | |
| 167 | G | B | 0.0000 | |
| 168 | P | B | -1.0722 | |
| 169 | D | B | -1.8872 | |
| 170 | R | B | -1.1837 | |
| 171 | A | B | -0.7709 | |
| 172 | P | B | -0.5605 | |
| 173 | A | B | 0.0000 | |
| 174 | G | B | 0.0000 | |
| 175 | W | B | 0.0000 | |
| 176 | L | B | 0.0000 | |
| 177 | D | B | -1.6387 | |
| 178 | E | B | -1.8065 | |
| 179 | K | B | -1.9099 | |
| 180 | T | B | 0.0000 | |
| 181 | V | B | 0.0000 | |
| 182 | V | B | -0.4522 | |
| 183 | E | B | 0.0000 | |
| 184 | F | B | 0.0000 | |
| 185 | V | B | 0.0000 | |
| 186 | K | B | 0.0000 | |
| 187 | F | B | 0.0000 | |
| 188 | A | B | 0.0000 | |
| 189 | A | B | 0.0000 | |
| 190 | F | B | 0.0000 | |
| 191 | V | B | 0.0000 | |
| 192 | A | B | 0.0000 | |
| 193 | Y | B | -0.2613 | |
| 194 | H | B | -0.5137 | |
| 195 | L | B | 0.0000 | |
| 196 | D | B | -1.6993 | |
| 197 | D | B | -2.3341 | |
| 198 | L | B | 0.0000 | |
| 199 | V | B | 0.0000 | |
| 200 | D | B | -1.9428 | |
| 201 | M | B | -0.8321 | |
| 202 | W | B | 0.0000 | |
| 203 | S | B | 0.0000 | |
| 204 | T | B | 0.0000 | |
| 205 | M | B | 0.0000 | |
| 206 | N | B | 0.0000 | |
| 207 | E | B | -0.2870 | |
| 208 | P | B | 0.0000 | |
| 209 | N | B | -0.8035 | |
| 210 | V | B | 0.0000 | |
| 211 | V | B | 0.0000 | |
| 212 | Y | B | 0.0000 | |
| 213 | N | B | -0.9498 | |
| 214 | Q | B | -0.9645 | |
| 215 | G | B | 0.0000 | |
| 216 | Y | B | 0.0000 | |
| 217 | I | B | -0.1946 | |
| 218 | N | B | -1.2137 | |
| 219 | L | B | -0.9160 | |
| 220 | R | B | -1.4051 | |
| 221 | S | B | -0.7054 | |
| 222 | G | B | 0.0000 | |
| 223 | F | B | -0.1932 | |
| 224 | P | B | 0.0000 | |
| 225 | P | B | 0.0000 | |
| 226 | G | B | -0.3090 | |
| 227 | Y | B | 0.0000 | |
| 228 | L | B | 0.0000 | |
| 229 | S | B | 0.0000 | |
| 230 | F | B | -0.4831 | |
| 231 | E | B | -2.2314 | |
| 232 | A | B | 0.0000 | |
| 233 | A | B | -1.5593 | |
| 234 | E | B | -2.8121 | |
| 235 | K | B | -2.3741 | |
| 236 | A | B | 0.0000 | |
| 237 | K | B | -1.6675 | |
| 238 | F | B | -0.9538 | |
| 239 | N | B | 0.0000 | |
| 240 | L | B | 0.0000 | |
| 241 | I | B | 0.0000 | |
| 242 | Q | B | 0.0000 | |
| 243 | A | B | 0.0000 | |
| 244 | H | B | 0.0000 | |
| 245 | I | B | 0.0000 | |
| 246 | G | B | 0.0000 | |
| 247 | A | B | 0.0000 | |
| 248 | Y | B | -1.2824 | |
| 249 | D | B | -2.6040 | |
| 250 | A | B | 0.0000 | |
| 251 | I | B | 0.0000 | |
| 252 | K | B | -2.5491 | |
| 253 | E | B | -2.8615 | |
| 254 | Y | B | -1.5799 | |
| 255 | S | B | -2.0722 | |
| 256 | E | B | -2.6205 | |
| 257 | K | B | -1.7558 | |
| 258 | S | B | -1.0417 | |
| 259 | V | B | 0.0000 | |
| 260 | G | B | 0.0000 | |
| 261 | V | B | 0.0000 | |
| 262 | I | B | 0.0000 | |
| 263 | Y | B | 0.0000 | |
| 264 | A | B | -0.0969 | |
| 265 | F | B | 0.0000 | |
| 266 | A | B | 0.0033 | |
| 267 | W | B | -0.1072 | |
| 268 | H | B | 0.0000 | |
| 269 | D | B | -0.1408 | |
| 270 | P | B | -1.0635 | |
| 271 | L | B | 0.6756 | |
| 272 | A | B | -1.0957 | |
| 273 | E | B | -3.1455 | |
| 274 | E | B | -3.4246 | |
| 275 | Y | B | -2.8998 | |
| 276 | K | B | -4.3389 | |
| 277 | D | B | -4.7028 | |
| 278 | E | B | -4.2936 | |
| 279 | V | B | 0.0000 | |
| 280 | E | B | -4.3163 | |
| 281 | E | B | -4.5426 | |
| 282 | I | B | -3.2135 | |
| 283 | R | B | 0.0000 | |
| 284 | K | B | -4.2754 | |
| 285 | K | B | -4.2949 | |
| 286 | D | B | -3.3369 | |
| 287 | Y | B | 0.0000 | |
| 288 | E | B | -3.1757 | |
| 289 | F | B | 0.0000 | |
| 290 | V | B | 0.0000 | |
| 291 | T | B | -1.3047 | |
| 292 | I | B | -0.5487 | |
| 293 | L | B | 0.0000 | |
| 294 | H | B | -1.3481 | |
| 295 | S | B | -0.9801 | |
| 296 | K | B | -1.4809 | |
| 297 | G | B | -1.3667 | |
| 298 | K | B | -1.3269 | |
| 299 | L | B | 0.0000 | |
| 300 | D | B | -0.6648 | |
| 301 | W | B | 0.0000 | |
| 302 | I | B | 0.0000 | |
| 303 | G | B | 0.0000 | |
| 304 | V | B | 0.0000 | |
| 305 | N | B | 0.0000 | |
| 306 | Y | B | 0.0000 | |
| 307 | Y | B | 0.3063 | |
| 308 | S | B | 0.0000 | |
| 309 | R | B | 0.1957 | |
| 310 | L | B | 0.5676 | |
| 311 | V | B | 0.0000 | |
| 312 | Y | B | 0.3317 | |
| 313 | G | B | 0.0000 | |
| 314 | A | B | -1.2909 | |
| 315 | K | B | -2.7542 | |
| 316 | D | B | -3.0354 | |
| 317 | G | B | -2.1618 | |
| 318 | H | B | -2.2149 | |
| 319 | L | B | -0.7175 | |
| 320 | V | B | 0.2275 | |
| 321 | P | B | 0.7908 | |
| 322 | L | B | 0.7331 | |
| 323 | P | B | -0.2946 | |
| 324 | G | B | -0.7032 | |
| 325 | Y | B | -0.2017 | |
| 326 | G | B | 0.0000 | |
| 327 | F | B | 0.5950 | |
| 328 | M | B | 0.1088 | |
| 329 | S | B | 0.0000 | |
| 330 | E | B | -2.5701 | |
| 331 | R | B | -2.5293 | |
| 332 | G | B | -1.6177 | |
| 333 | G | B | -1.1204 | |
| 334 | F | B | -0.7322 | |
| 335 | A | B | 0.0000 | |
| 336 | K | B | -2.0774 | |
| 337 | S | B | -1.1523 | |
| 338 | G | B | 0.0000 | |
| 339 | R | B | -0.9310 | |
| 340 | P | B | 0.0000 | |
| 341 | A | B | 0.0000 | |
| 342 | S | B | 0.0000 | |
| 343 | D | B | -1.5299 | |
| 344 | F | B | -0.3586 | |
| 345 | G | B | 0.0000 | |
| 346 | W | B | 0.2666 | |
| 347 | E | B | 0.0000 | |
| 348 | M | B | 0.0000 | |
| 349 | Y | B | -0.0637 | |
| 350 | P | B | 0.0000 | |
| 351 | E | B | -1.1753 | |
| 352 | G | B | 0.0000 | |
| 353 | L | B | 0.0000 | |
| 354 | E | B | -1.7356 | |
| 355 | N | B | -1.8678 | |
| 356 | L | B | 0.0000 | |
| 357 | L | B | 0.0000 | |
| 358 | K | B | -2.3946 | |
| 359 | Y | B | -1.1908 | |
| 360 | L | B | 0.0000 | |
| 361 | N | B | -2.3145 | |
| 362 | N | B | -2.0352 | |
| 363 | A | B | -1.3939 | |
| 364 | Y | B | 0.0000 | |
| 365 | E | B | -2.5223 | |
| 366 | L | B | -1.2649 | |
| 367 | P | B | -0.9807 | |
| 368 | M | B | 0.0000 | |
| 369 | I | B | 0.0000 | |
| 370 | I | B | 0.0000 | |
| 371 | T | B | 0.0000 | |
| 372 | E | B | -0.1662 | |
| 373 | N | B | 0.0000 | |
| 374 | G | B | -0.0069 | |
| 375 | M | B | 0.0000 | |
| 376 | A | B | 0.0000 | |
| 377 | D | B | 0.0000 | |
| 378 | A | B | -0.1012 | |
| 379 | A | B | 0.1842 | |
| 380 | D | B | 0.0000 | |
| 381 | R | B | -0.3617 | |
| 382 | Y | B | 0.0000 | |
| 383 | R | B | 0.0000 | |
| 384 | P | B | 0.0000 | |
| 385 | H | B | 0.0000 | |
| 386 | Y | B | 0.0000 | |
| 387 | L | B | 0.0000 | |
| 388 | V | B | 0.0000 | |
| 389 | S | B | 0.0000 | |
| 390 | H | B | 0.0000 | |
| 391 | L | B | 0.0000 | |
| 392 | K | B | -1.1129 | |
| 393 | A | B | 0.0000 | |
| 394 | V | B | 0.0000 | |
| 395 | Y | B | -1.0787 | |
| 396 | N | B | -1.7872 | |
| 397 | A | B | 0.0000 | |
| 398 | M | B | -1.9650 | |
| 399 | K | B | -2.8690 | |
| 400 | E | B | -3.2911 | |
| 401 | G | B | -2.5820 | |
| 402 | A | B | 0.0000 | |
| 403 | D | B | -1.9267 | |
| 404 | V | B | 0.0000 | |
| 405 | R | B | -1.5470 | |
| 406 | G | B | 0.0000 | |
| 407 | Y | B | 0.0000 | |
| 408 | L | B | 0.0000 | |
| 409 | H | B | 0.0000 | |
| 410 | W | B | 0.0000 | |
| 411 | S | B | 0.0000 | |
| 412 | L | B | 0.0000 | |
| 413 | T | B | 0.0000 | |
| 414 | D | B | 0.0000 | |
| 415 | N | B | 0.0000 | |
| 416 | Y | B | 0.0000 | |
| 417 | E | B | -0.6757 | |
| 418 | W | B | 0.0000 | |
| 419 | A | B | -0.5264 | |
| 420 | Q | B | -1.0776 | |
| 421 | G | B | 0.0000 | |
| 422 | F | B | -0.9765 | |
| 423 | R | B | -1.9993 | |
| 424 | M | B | 0.0000 | |
| 425 | R | B | 0.0000 | |
| 426 | F | B | 0.2037 | |
| 427 | G | B | 0.0000 | |
| 428 | L | B | 0.0000 | |
| 429 | V | B | 0.0000 | |
| 430 | Y | B | -0.0312 | |
| 431 | V | B | 0.0000 | |
| 432 | D | B | -1.3041 | |
| 433 | F | B | 0.0000 | |
| 434 | E | B | -2.4541 | |
| 435 | T | B | -1.5845 | |
| 436 | K | B | -1.3960 | |
| 437 | K | B | -1.5652 | |
| 438 | R | B | 0.0000 | |
| 439 | Y | B | -0.6313 | |
| 440 | L | B | -0.1340 | |
| 441 | R | B | 0.0000 | |
| 442 | P | B | 0.0000 | |
| 443 | S | B | 0.0000 | |
| 444 | A | B | 0.0000 | |
| 445 | L | B | 0.0000 | |
| 446 | V | B | 0.0000 | |
| 447 | F | B | 0.0000 | |
| 448 | R | B | -1.7914 | |
| 449 | E | B | -1.3636 | |
| 450 | I | B | 0.0000 | |
| 451 | A | B | 0.0000 | |
| 452 | T | B | -1.1461 | |
| 453 | Q | B | -1.5219 | |
| 454 | K | B | -2.3763 | |
| 455 | E | B | -1.7953 | |
| 456 | I | B | -1.2166 | |
| 457 | P | B | 0.0000 | |
| 458 | E | B | -2.3101 | |
| 459 | E | B | -1.9077 | |
| 460 | L | B | 0.0000 | |
| 461 | A | B | -1.2192 | |
| 462 | H | B | -1.0171 | |
| 463 | L | B | 0.0000 | |
| 464 | A | B | -0.8354 | |
| 465 | D | B | -1.3992 | |
| 466 | L | B | 0.0000 | |
| 467 | K | B | -1.9594 | |
| 468 | F | B | -0.7351 | |
| 469 | V | B | 0.0000 | |
| 470 | T | B | -1.3671 | |
| 471 | R | B | -2.0996 | |
| 1 | A | C | -1.5717 | |
| 2 | K | C | -2.6927 | |
| 3 | F | C | 0.0000 | |
| 4 | P | C | -2.0634 | |
| 5 | K | C | -2.8480 | |
| 6 | N | C | -2.4075 | |
| 7 | F | C | 0.0000 | |
| 8 | M | C | -0.9815 | |
| 9 | F | C | 0.0000 | |
| 10 | G | C | 0.0000 | |
| 11 | Y | C | 0.0000 | |
| 12 | S | C | 0.0000 | |
| 13 | W | C | 0.0000 | |
| 14 | S | C | 0.0000 | |
| 15 | G | C | -0.1186 | |
| 16 | F | C | 0.0000 | |
| 17 | Q | C | 0.0000 | |
| 18 | F | C | 0.0000 | |
| 19 | E | C | 0.0000 | |
| 20 | M | C | 0.0000 | |
| 21 | G | C | 0.0000 | |
| 22 | L | C | -0.7064 | |
| 23 | P | C | -1.1276 | |
| 24 | G | C | -1.0949 | |
| 25 | S | C | 0.0000 | |
| 26 | E | C | -2.5425 | |
| 27 | V | C | 0.0000 | |
| 28 | E | C | -2.0038 | |
| 29 | S | C | 0.0000 | |
| 30 | D | C | 0.0000 | |
| 31 | W | C | 0.0000 | |
| 32 | W | C | -0.2787 | |
| 33 | V | C | 0.1584 | |
| 34 | W | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | H | C | -0.5617 | |
| 37 | D | C | -0.9835 | |
| 38 | K | C | -1.7061 | |
| 39 | E | C | -0.7297 | |
| 40 | N | C | 0.0000 | |
| 41 | I | C | -0.0294 | |
| 42 | A | C | -0.0371 | |
| 43 | S | C | 0.0000 | |
| 44 | G | C | -0.6296 | |
| 45 | L | C | 0.0000 | |
| 46 | V | C | 0.0000 | |
| 47 | S | C | -0.5850 | |
| 48 | G | C | -0.6617 | |
| 49 | D | C | -1.1349 | |
| 50 | L | C | -0.6410 | |
| 51 | P | C | 0.0000 | |
| 52 | E | C | -1.9045 | |
| 53 | N | C | -1.7242 | |
| 54 | G | C | 0.0000 | |
| 55 | P | C | 0.0000 | |
| 56 | A | C | 0.0000 | |
| 57 | Y | C | 0.0000 | |
| 58 | W | C | 0.0000 | |
| 59 | H | C | -0.6701 | |
| 60 | L | C | -0.5977 | |
| 61 | Y | C | -1.2474 | |
| 62 | K | C | -2.5061 | |
| 63 | Q | C | -2.1512 | |
| 64 | D | C | 0.0000 | |
| 65 | H | C | 0.0000 | |
| 66 | D | C | -2.3324 | |
| 67 | I | C | -1.6446 | |
| 68 | A | C | 0.0000 | |
| 69 | E | C | -2.5821 | |
| 70 | K | C | -2.5347 | |
| 71 | L | C | 0.0000 | |
| 72 | G | C | -1.7759 | |
| 73 | M | C | 0.0000 | |
| 74 | D | C | -0.9935 | |
| 75 | C | C | 0.0000 | |
| 76 | I | C | 0.0000 | |
| 77 | R | C | 0.0000 | |
| 78 | G | C | 0.0000 | |
| 79 | G | C | 0.0000 | |
| 80 | I | C | 0.0000 | |
| 81 | E | C | -0.2340 | |
| 82 | W | C | 0.0000 | |
| 83 | A | C | 0.0000 | |
| 84 | R | C | 0.0000 | |
| 85 | I | C | 0.0000 | |
| 86 | F | C | 0.0000 | |
| 87 | P | C | -1.2878 | |
| 88 | K | C | -1.6333 | |
| 89 | P | C | -0.8077 | |
| 90 | T | C | 0.0000 | |
| 91 | F | C | -0.4576 | |
| 92 | D | C | -1.8945 | |
| 93 | V | C | 0.0000 | |
| 94 | K | C | -2.3351 | |
| 95 | V | C | -2.0508 | |
| 96 | D | C | -2.9370 | |
| 97 | V | C | -1.8781 | |
| 98 | E | C | -2.7494 | |
| 99 | K | C | -3.1322 | |
| 100 | D | C | -3.8151 | |
| 101 | E | C | -3.7721 | |
| 102 | E | C | -3.4254 | |
| 103 | G | C | -2.9748 | |
| 104 | N | C | -2.1641 | |
| 105 | I | C | 0.0000 | |
| 106 | I | C | -0.2291 | |
| 107 | S | C | -0.8746 | |
| 108 | V | C | -1.7658 | |
| 109 | D | C | -2.9529 | |
| 110 | V | C | 0.0000 | |
| 111 | P | C | -2.1607 | |
| 112 | E | C | -2.4506 | |
| 113 | S | C | -2.0705 | |
| 114 | T | C | 0.0000 | |
| 115 | I | C | 0.0000 | |
| 116 | K | C | -3.4422 | |
| 117 | E | C | -3.4087 | |
| 118 | L | C | 0.0000 | |
| 119 | E | C | -3.2554 | |
| 120 | K | C | -3.0082 | |
| 121 | I | C | -1.8778 | |
| 122 | A | C | -1.7395 | |
| 123 | N | C | -1.7978 | |
| 124 | M | C | -1.7298 | |
| 125 | E | C | -2.4503 | |
| 126 | A | C | -1.7313 | |
| 127 | L | C | 0.0000 | |
| 128 | E | C | -2.7249 | |
| 129 | H | C | -2.1299 | |
| 130 | Y | C | 0.0000 | |
| 131 | R | C | -2.0985 | |
| 132 | K | C | -2.3513 | |
| 133 | I | C | 0.0000 | |
| 134 | Y | C | 0.0000 | |
| 135 | S | C | -2.0769 | |
| 136 | D | C | -2.5248 | |
| 137 | W | C | 0.0000 | |
| 138 | K | C | -2.5381 | |
| 139 | E | C | -3.2705 | |
| 140 | R | C | -3.3855 | |
| 141 | G | C | -2.4117 | |
| 142 | K | C | -1.8998 | |
| 143 | T | C | -0.7336 | |
| 144 | F | C | 0.0000 | |
| 145 | I | C | 0.0000 | |
| 146 | L | C | 0.0000 | |
| 147 | N | C | 0.0000 | |
| 148 | L | C | 0.0000 | |
| 149 | Y | C | 0.0000 | |
| 150 | H | C | -0.1399 | |
| 151 | W | C | 0.0701 | |
| 152 | P | C | 0.0000 | |
| 153 | L | C | 0.0000 | |
| 154 | P | C | 0.0000 | |
| 155 | L | C | -0.2677 | |
| 156 | W | C | -0.1967 | |
| 157 | I | C | 0.0000 | |
| 158 | H | C | 0.0000 | |
| 159 | D | C | -0.4819 | |
| 160 | P | C | 0.0000 | |
| 161 | I | C | -0.3736 | |
| 162 | A | C | -0.8893 | |
| 163 | V | C | 0.0000 | |
| 164 | R | C | -0.9524 | |
| 165 | K | C | -1.4961 | |
| 166 | L | C | -0.9964 | |
| 167 | G | C | -1.2654 | |
| 168 | P | C | -1.7085 | |
| 169 | D | C | -2.6627 | |
| 170 | R | C | -2.8088 | |
| 171 | A | C | 0.0000 | |
| 172 | P | C | -0.9744 | |
| 173 | A | C | 0.0000 | |
| 174 | G | C | 0.0000 | |
| 175 | W | C | 0.0000 | |
| 176 | L | C | -1.1801 | |
| 177 | D | C | -1.9434 | |
| 178 | E | C | -2.7424 | |
| 179 | K | C | -2.5321 | |
| 180 | T | C | 0.0000 | |
| 181 | V | C | 0.0000 | |
| 182 | V | C | -0.6445 | |
| 183 | E | C | 0.0000 | |
| 184 | F | C | 0.0000 | |
| 185 | V | C | 0.0000 | |
| 186 | K | C | 0.0000 | |
| 187 | F | C | 0.0000 | |
| 188 | A | C | 0.0000 | |
| 189 | A | C | 0.0000 | |
| 190 | F | C | 0.0000 | |
| 191 | V | C | 0.0000 | |
| 192 | A | C | 0.0000 | |
| 193 | Y | C | 0.5221 | |
| 194 | H | C | -0.3207 | |
| 195 | L | C | 0.0000 | |
| 196 | D | C | -1.6954 | |
| 197 | D | C | -2.1334 | |
| 198 | L | C | 0.0000 | |
| 199 | V | C | 0.0000 | |
| 200 | D | C | -1.0815 | |
| 201 | M | C | -0.4708 | |
| 202 | W | C | 0.0000 | |
| 203 | S | C | 0.0000 | |
| 204 | T | C | 0.0000 | |
| 205 | M | C | 0.0000 | |
| 206 | N | C | 0.0000 | |
| 207 | E | C | -0.1374 | |
| 208 | P | C | 0.0000 | |
| 209 | N | C | -0.2809 | |
| 210 | V | C | 0.0830 | |
| 211 | V | C | 0.1433 | |
| 212 | Y | C | -0.6129 | |
| 213 | N | C | -0.5467 | |
| 214 | Q | C | -0.5382 | |
| 215 | G | C | 0.0000 | |
| 216 | Y | C | 0.0000 | |
| 217 | I | C | -0.5192 | |
| 218 | N | C | -0.6533 | |
| 219 | L | C | -0.6554 | |
| 220 | R | C | -2.0326 | |
| 221 | S | C | -1.1382 | |
| 222 | G | C | 0.0000 | |
| 223 | F | C | -0.1741 | |
| 224 | P | C | 0.0000 | |
| 225 | P | C | 0.0000 | |
| 226 | G | C | -0.2306 | |
| 227 | Y | C | -0.1476 | |
| 228 | L | C | 0.0000 | |
| 229 | S | C | -0.7534 | |
| 230 | F | C | -0.8169 | |
| 231 | E | C | -2.2930 | |
| 232 | A | C | 0.0000 | |
| 233 | A | C | 0.0000 | |
| 234 | E | C | -2.6115 | |
| 235 | K | C | -2.1251 | |
| 236 | A | C | 0.0000 | |
| 237 | K | C | -1.1458 | |
| 238 | F | C | -0.9276 | |
| 239 | N | C | 0.0000 | |
| 240 | L | C | 0.0000 | |
| 241 | I | C | 0.0000 | |
| 242 | Q | C | 0.0000 | |
| 243 | A | C | 0.0000 | |
| 244 | H | C | 0.0000 | |
| 245 | I | C | 0.0000 | |
| 246 | G | C | 0.0000 | |
| 247 | A | C | 0.0000 | |
| 248 | Y | C | -0.6658 | |
| 249 | D | C | -1.2602 | |
| 250 | A | C | 0.0000 | |
| 251 | I | C | 0.0000 | |
| 252 | K | C | -1.9496 | |
| 253 | E | C | -2.4901 | |
| 254 | Y | C | -1.0698 | |
| 255 | S | C | 0.0000 | |
| 256 | E | C | -2.6298 | |
| 257 | K | C | -1.7127 | |
| 258 | S | C | -0.9466 | |
| 259 | V | C | 0.0000 | |
| 260 | G | C | 0.0000 | |
| 261 | V | C | 0.0000 | |
| 262 | I | C | 0.0000 | |
| 263 | Y | C | 0.0000 | |
| 264 | A | C | -0.1369 | |
| 265 | F | C | 0.0000 | |
| 266 | A | C | -0.0819 | |
| 267 | W | C | 0.0000 | |
| 268 | H | C | 0.0000 | |
| 269 | D | C | -0.3134 | |
| 270 | P | C | -1.1412 | |
| 271 | L | C | 0.3835 | |
| 272 | A | C | -1.1575 | |
| 273 | E | C | -3.1214 | |
| 274 | E | C | -3.5651 | |
| 275 | Y | C | -2.9651 | |
| 276 | K | C | -4.4476 | |
| 277 | D | C | -4.7885 | |
| 278 | E | C | -4.3816 | |
| 279 | V | C | 0.0000 | |
| 280 | E | C | -4.2029 | |
| 281 | E | C | -4.5085 | |
| 282 | I | C | -3.2532 | |
| 283 | R | C | -3.4627 | |
| 284 | K | C | -3.8492 | |
| 285 | K | C | -4.1448 | |
| 286 | D | C | -3.1401 | |
| 287 | Y | C | 0.0000 | |
| 288 | E | C | -2.9778 | |
| 289 | F | C | 0.0000 | |
| 290 | V | C | 0.0000 | |
| 291 | T | C | -1.1857 | |
| 292 | I | C | -0.2897 | |
| 293 | L | C | 0.0000 | |
| 294 | H | C | -1.1993 | |
| 295 | S | C | -0.8066 | |
| 296 | K | C | -1.1511 | |
| 297 | G | C | -1.2436 | |
| 298 | K | C | -1.1020 | |
| 299 | L | C | 0.0000 | |
| 300 | D | C | -0.6708 | |
| 301 | W | C | 0.0000 | |
| 302 | I | C | 0.0000 | |
| 303 | G | C | 0.0000 | |
| 304 | V | C | 0.0000 | |
| 305 | N | C | 0.0000 | |
| 306 | Y | C | 0.0000 | |
| 307 | Y | C | 0.2899 | |
| 308 | S | C | 0.0000 | |
| 309 | R | C | 0.2012 | |
| 310 | L | C | 0.6527 | |
| 311 | V | C | 0.0000 | |
| 312 | Y | C | 0.3627 | |
| 313 | G | C | 0.0000 | |
| 314 | A | C | -1.0103 | |
| 315 | K | C | -2.3671 | |
| 316 | D | C | -2.8459 | |
| 317 | G | C | -2.4003 | |
| 318 | H | C | -1.9980 | |
| 319 | L | C | -0.7448 | |
| 320 | V | C | -0.0906 | |
| 321 | P | C | 0.4895 | |
| 322 | L | C | 0.5176 | |
| 323 | P | C | -0.2309 | |
| 324 | G | C | -0.6964 | |
| 325 | Y | C | -0.2364 | |
| 326 | G | C | 0.0000 | |
| 327 | F | C | 0.8271 | |
| 328 | M | C | 0.0971 | |
| 329 | S | C | 0.0000 | |
| 330 | E | C | -2.6621 | |
| 331 | R | C | -2.5867 | |
| 332 | G | C | -1.4989 | |
| 333 | G | C | -1.2204 | |
| 334 | F | C | -1.3088 | |
| 335 | A | C | -1.5889 | |
| 336 | K | C | -1.9845 | |
| 337 | S | C | -1.2358 | |
| 338 | G | C | -1.2997 | |
| 339 | R | C | -0.9035 | |
| 340 | P | C | 0.0000 | |
| 341 | A | C | 0.0000 | |
| 342 | S | C | 0.0000 | |
| 343 | D | C | -1.4538 | |
| 344 | F | C | -0.4426 | |
| 345 | G | C | 0.0000 | |
| 346 | W | C | 0.1281 | |
| 347 | E | C | 0.0000 | |
| 348 | M | C | 0.0000 | |
| 349 | Y | C | -0.0384 | |
| 350 | P | C | 0.0000 | |
| 351 | E | C | -1.0655 | |
| 352 | G | C | 0.0000 | |
| 353 | L | C | 0.0000 | |
| 354 | E | C | -1.4403 | |
| 355 | N | C | -1.4023 | |
| 356 | L | C | 0.0000 | |
| 357 | L | C | 0.0000 | |
| 358 | K | C | -2.2896 | |
| 359 | Y | C | -1.1546 | |
| 360 | L | C | 0.0000 | |
| 361 | N | C | -2.2674 | |
| 362 | N | C | -1.9696 | |
| 363 | A | C | -1.2591 | |
| 364 | Y | C | -1.1362 | |
| 365 | E | C | -2.3501 | |
| 366 | L | C | -1.1797 | |
| 367 | P | C | -1.0816 | |
| 368 | M | C | 0.0000 | |
| 369 | I | C | 0.0000 | |
| 370 | I | C | 0.0000 | |
| 371 | T | C | 0.0000 | |
| 372 | E | C | -0.1653 | |
| 373 | N | C | 0.0000 | |
| 374 | G | C | 0.0000 | |
| 375 | M | C | 0.0000 | |
| 376 | A | C | 0.0000 | |
| 377 | D | C | 0.0000 | |
| 378 | A | C | -0.3133 | |
| 379 | A | C | 0.0000 | |
| 380 | D | C | 0.0000 | |
| 381 | R | C | -0.3491 | |
| 382 | Y | C | 0.0000 | |
| 383 | R | C | 0.0000 | |
| 384 | P | C | 0.0000 | |
| 385 | H | C | 0.0000 | |
| 386 | Y | C | 0.0000 | |
| 387 | L | C | 0.0000 | |
| 388 | V | C | 0.0000 | |
| 389 | S | C | 0.0000 | |
| 390 | H | C | 0.0000 | |
| 391 | L | C | 0.0000 | |
| 392 | K | C | -1.1784 | |
| 393 | A | C | 0.0000 | |
| 394 | V | C | 0.0000 | |
| 395 | Y | C | -1.0739 | |
| 396 | N | C | -1.6261 | |
| 397 | A | C | 0.0000 | |
| 398 | M | C | -1.9481 | |
| 399 | K | C | -2.8498 | |
| 400 | E | C | -3.1366 | |
| 401 | G | C | -2.4505 | |
| 402 | A | C | 0.0000 | |
| 403 | D | C | -2.1244 | |
| 404 | V | C | 0.0000 | |
| 405 | R | C | -1.6680 | |
| 406 | G | C | 0.0000 | |
| 407 | Y | C | 0.0000 | |
| 408 | L | C | 0.0000 | |
| 409 | H | C | 0.0000 | |
| 410 | W | C | 0.0000 | |
| 411 | S | C | 0.0000 | |
| 412 | L | C | 0.0000 | |
| 413 | T | C | 0.0000 | |
| 414 | D | C | 0.0000 | |
| 415 | N | C | 0.0000 | |
| 416 | Y | C | 0.0000 | |
| 417 | E | C | -0.7111 | |
| 418 | W | C | -0.1521 | |
| 419 | A | C | -0.5047 | |
| 420 | Q | C | -1.2020 | |
| 421 | G | C | 0.0000 | |
| 422 | F | C | -1.0619 | |
| 423 | R | C | -2.1327 | |
| 424 | M | C | 0.0000 | |
| 425 | R | C | -0.7465 | |
| 426 | F | C | 0.0000 | |
| 427 | G | C | 0.0000 | |
| 428 | L | C | 0.0000 | |
| 429 | V | C | 0.0000 | |
| 430 | Y | C | -0.0587 | |
| 431 | V | C | 0.0000 | |
| 432 | D | C | -1.1966 | |
| 433 | F | C | -1.3492 | |
| 434 | E | C | -2.2119 | |
| 435 | T | C | -1.4010 | |
| 436 | K | C | -1.3399 | |
| 437 | K | C | -1.3551 | |
| 438 | R | C | 0.0000 | |
| 439 | Y | C | -0.6472 | |
| 440 | L | C | -0.1249 | |
| 441 | R | C | 0.0000 | |
| 442 | P | C | 0.0000 | |
| 443 | S | C | 0.0000 | |
| 444 | A | C | 0.0000 | |
| 445 | L | C | 0.0000 | |
| 446 | V | C | 0.0000 | |
| 447 | F | C | 0.0000 | |
| 448 | R | C | -1.9107 | |
| 449 | E | C | -1.4557 | |
| 450 | I | C | 0.0000 | |
| 451 | A | C | 0.0000 | |
| 452 | T | C | -1.6303 | |
| 453 | Q | C | -1.9912 | |
| 454 | K | C | -2.2328 | |
| 455 | E | C | -2.4460 | |
| 456 | I | C | 0.0000 | |
| 457 | P | C | -1.9080 | |
| 458 | E | C | -2.6141 | |
| 459 | E | C | -2.1102 | |
| 460 | L | C | 0.0000 | |
| 461 | A | C | -1.1861 | |
| 462 | H | C | 0.0000 | |
| 463 | L | C | 0.0000 | |
| 464 | A | C | -0.7620 | |
| 465 | D | C | -1.3918 | |
| 466 | L | C | -1.1950 | |
| 467 | K | C | -1.9704 | |
| 468 | F | C | -0.8462 | |
| 469 | V | C | 0.0000 | |
| 470 | T | C | -1.4208 | |
| 471 | R | C | -2.0686 | |
| 1 | A | D | -1.1707 | |
| 2 | K | D | -2.5129 | |
| 3 | F | D | 0.0000 | |
| 4 | P | D | -2.2204 | |
| 5 | K | D | -2.9127 | |
| 6 | N | D | -2.3681 | |
| 7 | F | D | 0.0000 | |
| 8 | M | D | -1.0450 | |
| 9 | F | D | 0.0000 | |
| 10 | G | D | 0.0000 | |
| 11 | Y | D | 0.0000 | |
| 12 | S | D | 0.0000 | |
| 13 | W | D | 0.0000 | |
| 14 | S | D | -0.0667 | |
| 15 | G | D | 0.0000 | |
| 16 | F | D | 0.0000 | |
| 17 | Q | D | 0.0000 | |
| 18 | F | D | 0.0000 | |
| 19 | E | D | 0.0000 | |
| 20 | M | D | 0.0000 | |
| 21 | G | D | 0.0000 | |
| 22 | L | D | -0.5248 | |
| 23 | P | D | -0.8837 | |
| 24 | G | D | -1.0535 | |
| 25 | S | D | 0.0000 | |
| 26 | E | D | -2.0089 | |
| 27 | V | D | -1.3757 | |
| 28 | E | D | -1.8350 | |
| 29 | S | D | 0.0000 | |
| 30 | D | D | 0.0000 | |
| 31 | W | D | 0.0000 | |
| 32 | W | D | -0.2909 | |
| 33 | V | D | -0.1509 | |
| 34 | W | D | 0.0000 | |
| 35 | V | D | 0.0000 | |
| 36 | H | D | -0.2624 | |
| 37 | D | D | -0.6236 | |
| 38 | K | D | -1.5021 | |
| 39 | E | D | -0.5525 | |
| 40 | N | D | 0.0000 | |
| 41 | I | D | 0.4813 | |
| 42 | A | D | 0.1229 | |
| 43 | S | D | 0.1906 | |
| 44 | G | D | 0.1626 | |
| 45 | L | D | 0.3485 | |
| 46 | V | D | 0.5096 | |
| 47 | S | D | -0.2357 | |
| 48 | G | D | -0.2184 | |
| 49 | D | D | -0.8007 | |
| 50 | L | D | -0.3545 | |
| 51 | P | D | 0.0000 | |
| 52 | E | D | -1.7429 | |
| 53 | N | D | -1.8851 | |
| 54 | G | D | 0.0000 | |
| 55 | P | D | 0.0000 | |
| 56 | A | D | 0.0000 | |
| 57 | Y | D | 0.0000 | |
| 58 | W | D | 0.0000 | |
| 59 | H | D | -0.8184 | |
| 60 | L | D | -0.5189 | |
| 61 | Y | D | -1.3392 | |
| 62 | K | D | -2.5888 | |
| 63 | Q | D | -2.3258 | |
| 64 | D | D | 0.0000 | |
| 65 | H | D | 0.0000 | |
| 66 | D | D | -3.2082 | |
| 67 | I | D | 0.0000 | |
| 68 | A | D | 0.0000 | |
| 69 | E | D | -2.7286 | |
| 70 | K | D | -2.6588 | |
| 71 | L | D | 0.0000 | |
| 72 | G | D | -1.6790 | |
| 73 | M | D | 0.0000 | |
| 74 | D | D | -1.1379 | |
| 75 | C | D | 0.0000 | |
| 76 | I | D | 0.0000 | |
| 77 | R | D | 0.0000 | |
| 78 | G | D | 0.0000 | |
| 79 | G | D | 0.0000 | |
| 80 | I | D | 0.0000 | |
| 81 | E | D | 0.0000 | |
| 82 | W | D | 0.0000 | |
| 83 | A | D | -0.5182 | |
| 84 | R | D | 0.0000 | |
| 85 | I | D | 0.0000 | |
| 86 | F | D | 0.0000 | |
| 87 | P | D | -1.0258 | |
| 88 | K | D | -1.0837 | |
| 89 | P | D | -0.6441 | |
| 90 | T | D | 0.0000 | |
| 91 | F | D | -0.9342 | |
| 92 | D | D | -2.0787 | |
| 93 | V | D | 0.0000 | |
| 94 | K | D | -2.4159 | |
| 95 | V | D | -1.9299 | |
| 96 | D | D | -3.0999 | |
| 97 | V | D | -2.0253 | |
| 98 | E | D | -2.8127 | |
| 99 | K | D | -3.3934 | |
| 100 | D | D | -3.5654 | |
| 101 | E | D | -3.7666 | |
| 102 | E | D | -3.5878 | |
| 103 | G | D | -2.8581 | |
| 104 | N | D | -2.0175 | |
| 105 | I | D | 0.0000 | |
| 106 | I | D | 0.4919 | |
| 107 | S | D | -0.6499 | |
| 108 | V | D | -1.7001 | |
| 109 | D | D | -2.8742 | |
| 110 | V | D | 0.0000 | |
| 111 | P | D | -2.0699 | |
| 112 | E | D | -2.3840 | |
| 113 | S | D | -2.0739 | |
| 114 | T | D | -2.3612 | |
| 115 | I | D | 0.0000 | |
| 116 | K | D | -3.6336 | |
| 117 | E | D | -3.7881 | |
| 118 | L | D | 0.0000 | |
| 119 | E | D | -2.6442 | |
| 120 | K | D | -2.8586 | |
| 121 | I | D | -1.6871 | |
| 122 | A | D | -1.6770 | |
| 123 | N | D | -1.6264 | |
| 124 | M | D | -1.6620 | |
| 125 | E | D | -2.4615 | |
| 126 | A | D | 0.0000 | |
| 127 | L | D | 0.0000 | |
| 128 | E | D | -2.8684 | |
| 129 | H | D | -1.9447 | |
| 130 | Y | D | 0.0000 | |
| 131 | R | D | -1.6927 | |
| 132 | K | D | -2.1616 | |
| 133 | I | D | 0.0000 | |
| 134 | Y | D | 0.0000 | |
| 135 | S | D | -2.1213 | |
| 136 | D | D | -2.6773 | |
| 137 | W | D | 0.0000 | |
| 138 | K | D | -2.6544 | |
| 139 | E | D | -3.3948 | |
| 140 | R | D | -3.5692 | |
| 141 | G | D | -2.4527 | |
| 142 | K | D | -2.2205 | |
| 143 | T | D | -1.0999 | |
| 144 | F | D | 0.0000 | |
| 145 | I | D | 0.0000 | |
| 146 | L | D | 0.0000 | |
| 147 | N | D | 0.0000 | |
| 148 | L | D | 0.0000 | |
| 149 | Y | D | 0.0000 | |
| 150 | H | D | 0.0000 | |
| 151 | W | D | 0.0000 | |
| 152 | P | D | 0.0000 | |
| 153 | L | D | 0.0000 | |
| 154 | P | D | 0.0000 | |
| 155 | L | D | -0.2010 | |
| 156 | W | D | -0.0004 | |
| 157 | I | D | 0.0000 | |
| 158 | H | D | 0.0000 | |
| 159 | D | D | -0.3155 | |
| 160 | P | D | 0.0000 | |
| 161 | I | D | 0.0636 | |
| 162 | A | D | -0.2909 | |
| 163 | V | D | 0.0000 | |
| 164 | R | D | -0.2735 | |
| 165 | K | D | -0.1211 | |
| 166 | L | D | -0.0605 | |
| 167 | G | D | -1.0144 | |
| 168 | P | D | -1.6444 | |
| 169 | D | D | -2.5772 | |
| 170 | R | D | -2.5118 | |
| 171 | A | D | 0.0000 | |
| 172 | P | D | -1.1656 | |
| 173 | A | D | 0.0000 | |
| 174 | G | D | 0.0000 | |
| 175 | W | D | 0.0000 | |
| 176 | L | D | -1.5915 | |
| 177 | D | D | -2.0959 | |
| 178 | E | D | -2.8930 | |
| 179 | K | D | -2.4689 | |
| 180 | T | D | 0.0000 | |
| 181 | V | D | 0.0000 | |
| 182 | V | D | -0.9239 | |
| 183 | E | D | 0.0000 | |
| 184 | F | D | 0.0000 | |
| 185 | V | D | 0.0000 | |
| 186 | K | D | 0.0000 | |
| 187 | F | D | 0.0000 | |
| 188 | A | D | 0.0000 | |
| 189 | A | D | 0.0000 | |
| 190 | F | D | 0.0000 | |
| 191 | V | D | 0.0000 | |
| 192 | A | D | 0.0000 | |
| 193 | Y | D | -0.2235 | |
| 194 | H | D | -0.4518 | |
| 195 | L | D | 0.0000 | |
| 196 | D | D | -1.6014 | |
| 197 | D | D | -2.0464 | |
| 198 | L | D | -1.4281 | |
| 199 | V | D | 0.0000 | |
| 200 | D | D | -1.2942 | |
| 201 | M | D | -0.6436 | |
| 202 | W | D | 0.0000 | |
| 203 | S | D | 0.0000 | |
| 204 | T | D | 0.0000 | |
| 205 | M | D | 0.0000 | |
| 206 | N | D | -0.1972 | |
| 207 | E | D | -0.1896 | |
| 208 | P | D | 0.0000 | |
| 209 | N | D | -0.5835 | |
| 210 | V | D | 0.0270 | |
| 211 | V | D | 0.1065 | |
| 212 | Y | D | -0.4745 | |
| 213 | N | D | -0.4866 | |
| 214 | Q | D | -0.5363 | |
| 215 | G | D | 0.0000 | |
| 216 | Y | D | 0.0000 | |
| 217 | I | D | -0.0105 | |
| 218 | N | D | -0.8133 | |
| 219 | L | D | -0.9754 | |
| 220 | R | D | -2.0955 | |
| 221 | S | D | -0.8650 | |
| 222 | G | D | -0.4108 | |
| 223 | F | D | -0.0896 | |
| 224 | P | D | -0.0088 | |
| 225 | P | D | 0.0000 | |
| 226 | G | D | -0.3696 | |
| 227 | Y | D | 0.1192 | |
| 228 | L | D | -0.0872 | |
| 229 | S | D | -0.9668 | |
| 230 | F | D | -1.0365 | |
| 231 | E | D | -2.5324 | |
| 232 | A | D | 0.0000 | |
| 233 | A | D | 0.0000 | |
| 234 | E | D | -3.0004 | |
| 235 | K | D | -3.0468 | |
| 236 | A | D | 0.0000 | |
| 237 | K | D | -1.3265 | |
| 238 | F | D | -0.5546 | |
| 239 | N | D | -1.2105 | |
| 240 | L | D | 0.0000 | |
| 241 | I | D | 0.0000 | |
| 242 | Q | D | 0.0000 | |
| 243 | A | D | 0.0000 | |
| 244 | H | D | 0.0000 | |
| 245 | I | D | -0.0236 | |
| 246 | G | D | 0.0000 | |
| 247 | A | D | 0.0000 | |
| 248 | Y | D | 0.0000 | |
| 249 | D | D | -1.2574 | |
| 250 | A | D | 0.0000 | |
| 251 | I | D | 0.0000 | |
| 252 | K | D | -2.5382 | |
| 253 | E | D | -2.7954 | |
| 254 | Y | D | -1.5422 | |
| 255 | S | D | 0.0000 | |
| 256 | E | D | -2.7426 | |
| 257 | K | D | -1.6962 | |
| 258 | S | D | -1.0346 | |
| 259 | V | D | 0.0000 | |
| 260 | G | D | 0.0000 | |
| 261 | V | D | 0.0000 | |
| 262 | I | D | 0.0000 | |
| 263 | Y | D | 0.0000 | |
| 264 | A | D | -0.2519 | |
| 265 | F | D | 0.0000 | |
| 266 | A | D | -0.1818 | |
| 267 | W | D | 0.0000 | |
| 268 | H | D | 0.0000 | |
| 269 | D | D | -0.6016 | |
| 270 | P | D | -1.5105 | |
| 271 | L | D | 0.1696 | |
| 272 | A | D | -1.2644 | |
| 273 | E | D | -3.3749 | |
| 274 | E | D | -3.4579 | |
| 275 | Y | D | -3.1625 | |
| 276 | K | D | -4.4481 | |
| 277 | D | D | -4.8596 | |
| 278 | E | D | -4.5421 | |
| 279 | V | D | 0.0000 | |
| 280 | E | D | -4.6027 | |
| 281 | E | D | -4.4085 | |
| 282 | I | D | -3.0019 | |
| 283 | R | D | -3.2069 | |
| 284 | K | D | -3.3723 | |
| 285 | K | D | -3.4957 | |
| 286 | D | D | -3.0479 | |
| 287 | Y | D | 0.0000 | |
| 288 | E | D | -1.6243 | |
| 289 | F | D | 0.0000 | |
| 290 | V | D | 0.0000 | |
| 291 | T | D | -0.9009 | |
| 292 | I | D | -0.2558 | |
| 293 | L | D | 0.0000 | |
| 294 | H | D | -1.4049 | |
| 295 | S | D | -1.2218 | |
| 296 | K | D | -2.1341 | |
| 297 | G | D | -1.6849 | |
| 298 | K | D | -1.4350 | |
| 299 | L | D | 0.0000 | |
| 300 | D | D | -0.7516 | |
| 301 | W | D | 0.0000 | |
| 302 | I | D | 0.0000 | |
| 303 | G | D | 0.0000 | |
| 304 | V | D | 0.0000 | |
| 305 | N | D | 0.0000 | |
| 306 | Y | D | 0.0000 | |
| 307 | Y | D | 0.3347 | |
| 308 | S | D | 0.0000 | |
| 309 | R | D | 0.0802 | |
| 310 | L | D | 0.5752 | |
| 311 | V | D | 0.0000 | |
| 312 | Y | D | 0.0000 | |
| 313 | G | D | 0.0000 | |
| 314 | A | D | -1.3702 | |
| 315 | K | D | -2.8527 | |
| 316 | D | D | -3.0464 | |
| 317 | G | D | -2.6161 | |
| 318 | H | D | -2.0911 | |
| 319 | L | D | -0.8456 | |
| 320 | V | D | -0.1303 | |
| 321 | P | D | 0.6507 | |
| 322 | L | D | 0.7218 | |
| 323 | P | D | -0.2362 | |
| 324 | G | D | -0.6925 | |
| 325 | Y | D | -0.1303 | |
| 326 | G | D | 0.0000 | |
| 327 | F | D | 0.8774 | |
| 328 | M | D | 0.2559 | |
| 329 | S | D | -1.0085 | |
| 330 | E | D | -2.5844 | |
| 331 | R | D | -2.5372 | |
| 332 | G | D | -1.6922 | |
| 333 | G | D | -1.4034 | |
| 334 | F | D | -1.0113 | |
| 335 | A | D | 0.0000 | |
| 336 | K | D | -1.9030 | |
| 337 | S | D | -1.1252 | |
| 338 | G | D | -1.3922 | |
| 339 | R | D | -1.0233 | |
| 340 | P | D | 0.0000 | |
| 341 | A | D | 0.0000 | |
| 342 | S | D | 0.0000 | |
| 343 | D | D | -1.5611 | |
| 344 | F | D | -0.2460 | |
| 345 | G | D | 0.0000 | |
| 346 | W | D | 0.2914 | |
| 347 | E | D | 0.0000 | |
| 348 | M | D | 0.0000 | |
| 349 | Y | D | -0.3092 | |
| 350 | P | D | 0.0000 | |
| 351 | E | D | -1.8263 | |
| 352 | G | D | 0.0000 | |
| 353 | L | D | 0.0000 | |
| 354 | E | D | -1.8157 | |
| 355 | N | D | -1.7380 | |
| 356 | L | D | 0.0000 | |
| 357 | L | D | 0.0000 | |
| 358 | K | D | -2.2714 | |
| 359 | Y | D | -1.0728 | |
| 360 | L | D | 0.0000 | |
| 361 | N | D | -2.2316 | |
| 362 | N | D | -2.0038 | |
| 363 | A | D | -1.2998 | |
| 364 | Y | D | 0.0000 | |
| 365 | E | D | -2.4242 | |
| 366 | L | D | -1.3034 | |
| 367 | P | D | -1.0338 | |
| 368 | M | D | 0.0000 | |
| 369 | I | D | 0.0000 | |
| 370 | I | D | 0.0000 | |
| 371 | T | D | 0.0000 | |
| 372 | E | D | 0.0000 | |
| 373 | N | D | 0.0000 | |
| 374 | G | D | 0.0000 | |
| 375 | M | D | 0.0000 | |
| 376 | A | D | 0.0000 | |
| 377 | D | D | 0.0000 | |
| 378 | A | D | -0.3771 | |
| 379 | A | D | -0.1043 | |
| 380 | D | D | 0.0000 | |
| 381 | R | D | 0.0000 | |
| 382 | Y | D | 0.0000 | |
| 383 | R | D | 0.0000 | |
| 384 | P | D | 0.0000 | |
| 385 | H | D | 0.0000 | |
| 386 | Y | D | 0.0000 | |
| 387 | L | D | 0.0000 | |
| 388 | V | D | 0.0000 | |
| 389 | S | D | 0.0000 | |
| 390 | H | D | 0.0000 | |
| 391 | L | D | 0.0000 | |
| 392 | K | D | -0.9747 | |
| 393 | A | D | 0.0000 | |
| 394 | V | D | 0.0000 | |
| 395 | Y | D | -0.7954 | |
| 396 | N | D | -1.8023 | |
| 397 | A | D | 0.0000 | |
| 398 | M | D | -1.8885 | |
| 399 | K | D | -2.7432 | |
| 400 | E | D | -3.1763 | |
| 401 | G | D | -2.4259 | |
| 402 | A | D | 0.0000 | |
| 403 | D | D | -2.2012 | |
| 404 | V | D | 0.0000 | |
| 405 | R | D | -1.6582 | |
| 406 | G | D | 0.0000 | |
| 407 | Y | D | 0.0000 | |
| 408 | L | D | 0.0000 | |
| 409 | H | D | 0.0000 | |
| 410 | W | D | 0.1326 | |
| 411 | S | D | 0.0000 | |
| 412 | L | D | 0.0000 | |
| 413 | T | D | 0.0000 | |
| 414 | D | D | 0.0000 | |
| 415 | N | D | 0.0000 | |
| 416 | Y | D | 0.0000 | |
| 417 | E | D | -0.5712 | |
| 418 | W | D | -0.0042 | |
| 419 | A | D | -0.3181 | |
| 420 | Q | D | -0.8575 | |
| 421 | G | D | 0.0000 | |
| 422 | F | D | -0.9145 | |
| 423 | R | D | -1.9916 | |
| 424 | M | D | 0.0000 | |
| 425 | R | D | -0.6846 | |
| 426 | F | D | 0.0000 | |
| 427 | G | D | 0.0000 | |
| 428 | L | D | 0.0000 | |
| 429 | V | D | 0.0000 | |
| 430 | Y | D | 0.0000 | |
| 431 | V | D | 0.0000 | |
| 432 | D | D | -1.5339 | |
| 433 | F | D | 0.0000 | |
| 434 | E | D | -2.4577 | |
| 435 | T | D | -1.7017 | |
| 436 | K | D | -1.5870 | |
| 437 | K | D | -2.0648 | |
| 438 | R | D | -1.4237 | |
| 439 | Y | D | -1.0368 | |
| 440 | L | D | 0.0000 | |
| 441 | R | D | 0.0000 | |
| 442 | P | D | 0.0000 | |
| 443 | S | D | 0.0000 | |
| 444 | A | D | 0.0000 | |
| 445 | L | D | 0.0000 | |
| 446 | V | D | 0.0000 | |
| 447 | F | D | 0.0000 | |
| 448 | R | D | -1.3979 | |
| 449 | E | D | -1.5187 | |
| 450 | I | D | 0.0000 | |
| 451 | A | D | 0.0000 | |
| 452 | T | D | -1.4583 | |
| 453 | Q | D | -1.9745 | |
| 454 | K | D | -2.5462 | |
| 455 | E | D | -1.9426 | |
| 456 | I | D | -1.2852 | |
| 457 | P | D | 0.0000 | |
| 458 | E | D | -2.0060 | |
| 459 | E | D | -1.3516 | |
| 460 | L | D | 0.0000 | |
| 461 | A | D | -1.2313 | |
| 462 | H | D | -1.3443 | |
| 463 | L | D | -0.7652 | |
| 464 | A | D | 0.0000 | |
| 465 | D | D | -1.8239 | |
| 466 | L | D | 0.0000 | |
| 467 | K | D | -1.7498 | |
| 468 | F | D | -0.1312 | |
| 469 | V | D | -0.6022 | |
| 470 | T | D | -1.1918 | |
| 471 | R | D | -1.8144 |
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 | -0.6598 | 2.5885 | View | CSV | PDB |
| 4.5 | -0.7389 | 2.549 | View | CSV | PDB |
| 5.0 | -0.8378 | 2.4959 | View | CSV | PDB |
| 5.5 | -0.9382 | 2.4381 | View | CSV | PDB |
| 6.0 | -1.0196 | 2.3845 | View | CSV | PDB |
| 6.5 | -1.0654 | 2.37 | View | CSV | PDB |
| 7.0 | -1.0728 | 2.37 | View | CSV | PDB |
| 7.5 | -1.0529 | 2.37 | View | CSV | PDB |
| 8.0 | -1.0179 | 2.37 | View | CSV | PDB |
| 8.5 | -0.9732 | 2.37 | View | CSV | PDB |
| 9.0 | -0.9194 | 2.3699 | 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