| 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. (00:00:14)
[INFO] FoldX: Starting FoldX energy minimization (00:00:15)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (01:18:32)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/616691ec802cad2/tmp/folded.pdb (01:18:32)
[INFO] Main: Simulation completed successfully. (01:58:55)
|
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 | -1.3219 | |
| 2 | K | A | -2.3956 | |
| 3 | F | A | 0.0000 | |
| 4 | P | A | -2.1013 | |
| 5 | K | A | -2.7583 | |
| 6 | N | A | -2.2963 | |
| 7 | F | A | -1.7677 | |
| 8 | M | A | -1.0546 | |
| 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 | 0.0000 | |
| 16 | F | A | 0.0000 | |
| 17 | Q | A | 0.0000 | |
| 18 | F | A | 0.0000 | |
| 19 | E | A | 0.0000 | |
| 20 | M | A | 0.0000 | |
| 21 | G | A | 0.0000 | |
| 22 | L | A | -0.9144 | |
| 23 | P | A | -1.1552 | |
| 24 | G | A | -1.1440 | |
| 25 | S | A | 0.0000 | |
| 26 | E | A | -2.4255 | |
| 27 | V | A | -1.5394 | |
| 28 | E | A | -1.8968 | |
| 29 | S | A | 0.0000 | |
| 30 | D | A | 0.0000 | |
| 31 | W | A | 0.0000 | |
| 32 | W | A | -0.3735 | |
| 33 | V | A | -0.1260 | |
| 34 | W | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | H | A | -0.4427 | |
| 37 | D | A | -0.6935 | |
| 38 | K | A | -1.3732 | |
| 39 | E | A | 0.0000 | |
| 40 | N | A | 0.0000 | |
| 41 | I | A | 0.3468 | |
| 42 | A | A | 0.1469 | |
| 43 | S | A | 0.0000 | |
| 44 | G | A | -0.2669 | |
| 45 | L | A | 0.0000 | |
| 46 | V | A | 0.0000 | |
| 47 | S | A | -0.3139 | |
| 48 | G | A | -0.2774 | |
| 49 | D | A | -0.6190 | |
| 50 | L | A | -0.3831 | |
| 51 | P | A | 0.0000 | |
| 52 | E | A | -2.1354 | |
| 53 | N | A | -1.9652 | |
| 54 | G | A | 0.0000 | |
| 55 | P | A | 0.0000 | |
| 56 | A | A | 0.0000 | |
| 57 | Y | A | 0.0000 | |
| 58 | W | A | -0.6767 | |
| 59 | H | A | -1.2235 | |
| 60 | L | A | -0.9444 | |
| 61 | Y | A | -1.3745 | |
| 62 | K | A | -2.7228 | |
| 63 | Q | A | -2.5236 | |
| 64 | D | A | 0.0000 | |
| 65 | H | A | 0.0000 | |
| 66 | D | A | -3.0749 | |
| 67 | I | A | -1.7925 | |
| 68 | A | A | 0.0000 | |
| 69 | E | A | -2.3291 | |
| 70 | K | A | -2.0456 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | -1.8798 | |
| 73 | M | A | 0.0000 | |
| 74 | D | A | -2.1592 | |
| 75 | C | A | 0.0000 | |
| 76 | I | A | 0.0000 | |
| 77 | R | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | I | A | 0.0000 | |
| 81 | E | A | 0.0000 | |
| 82 | W | A | 0.0000 | |
| 83 | A | A | 0.0000 | |
| 84 | R | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | P | A | -1.2288 | |
| 88 | K | A | -1.4407 | |
| 89 | P | A | -0.8025 | |
| 90 | T | A | 0.0000 | |
| 91 | F | A | -0.3800 | |
| 92 | D | A | -1.6411 | |
| 93 | V | A | -1.6432 | |
| 94 | K | A | -2.3150 | |
| 95 | V | A | -1.6112 | |
| 96 | D | A | -2.4718 | |
| 97 | V | A | -1.3282 | |
| 98 | E | A | -2.2342 | |
| 99 | K | A | -2.4012 | |
| 100 | D | A | -3.2561 | |
| 101 | E | A | -3.5943 | |
| 102 | E | A | -3.3063 | |
| 103 | G | A | -2.6861 | |
| 104 | N | A | -1.6582 | |
| 105 | I | A | 0.0000 | |
| 106 | I | A | 0.9020 | |
| 107 | S | A | -0.5531 | |
| 108 | V | A | 0.0000 | |
| 109 | D | A | -2.8766 | |
| 110 | V | A | 0.0000 | |
| 111 | P | A | -2.0333 | |
| 112 | E | A | -2.6025 | |
| 113 | S | A | -2.2676 | |
| 114 | T | A | 0.0000 | |
| 115 | I | A | 0.0000 | |
| 116 | K | A | -2.9427 | |
| 117 | E | A | -3.3718 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | -2.0533 | |
| 120 | K | A | -2.5124 | |
| 121 | I | A | -1.4860 | |
| 122 | A | A | -1.5020 | |
| 123 | N | A | -1.5845 | |
| 124 | M | A | -1.6769 | |
| 125 | E | A | -2.5942 | |
| 126 | A | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | E | A | -3.0935 | |
| 129 | H | A | -2.3624 | |
| 130 | Y | A | 0.0000 | |
| 131 | R | A | -2.3010 | |
| 132 | K | A | -2.5252 | |
| 133 | I | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | S | A | -1.8936 | |
| 136 | D | A | 0.0000 | |
| 137 | W | A | 0.0000 | |
| 138 | K | A | -2.6888 | |
| 139 | E | A | -2.7111 | |
| 140 | R | A | -2.3687 | |
| 141 | G | A | -1.9602 | |
| 142 | K | A | -1.8831 | |
| 143 | T | A | -1.0495 | |
| 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 | -0.0803 | |
| 151 | W | A | 0.0814 | |
| 152 | P | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | L | A | -0.3184 | |
| 156 | W | A | -0.3075 | |
| 157 | I | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | D | A | -0.1818 | |
| 160 | P | A | 0.0000 | |
| 161 | I | A | 0.2809 | |
| 162 | A | A | -0.1043 | |
| 163 | V | A | 0.0000 | |
| 164 | R | A | -0.2273 | |
| 165 | K | A | -0.0553 | |
| 166 | L | A | 0.1532 | |
| 167 | G | A | -0.7427 | |
| 168 | P | A | -1.3942 | |
| 169 | D | A | -2.4218 | |
| 170 | R | A | -2.3612 | |
| 171 | A | A | -1.1930 | |
| 172 | P | A | -0.8876 | |
| 173 | A | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | W | A | 0.0000 | |
| 176 | L | A | -1.6885 | |
| 177 | D | A | -2.2822 | |
| 178 | E | A | -2.7429 | |
| 179 | K | A | -2.0437 | |
| 180 | T | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | V | A | -0.7976 | |
| 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 | -0.1420 | |
| 194 | H | A | -0.4073 | |
| 195 | L | A | 0.0000 | |
| 196 | D | A | -1.8081 | |
| 197 | D | A | -2.4432 | |
| 198 | L | A | -1.5499 | |
| 199 | V | A | 0.0000 | |
| 200 | D | A | -1.5027 | |
| 201 | M | A | -0.7242 | |
| 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 | -0.1614 | |
| 208 | P | A | 0.0000 | |
| 209 | N | A | -0.5501 | |
| 210 | V | A | -0.2197 | |
| 211 | V | A | 0.0000 | |
| 212 | Y | A | -0.9894 | |
| 213 | N | A | -1.0201 | |
| 214 | Q | A | -0.8096 | |
| 215 | G | A | 0.0000 | |
| 216 | Y | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | N | A | -0.7890 | |
| 219 | L | A | -0.7768 | |
| 220 | R | A | -1.3241 | |
| 221 | S | A | -0.6947 | |
| 222 | G | A | 0.0000 | |
| 223 | F | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | G | A | -0.2934 | |
| 227 | Y | A | -0.0543 | |
| 228 | L | A | 0.0000 | |
| 229 | S | A | -0.5268 | |
| 230 | F | A | -0.4231 | |
| 231 | E | A | -2.0465 | |
| 232 | A | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | E | A | -2.6862 | |
| 235 | K | A | -2.4782 | |
| 236 | A | A | 0.0000 | |
| 237 | K | A | -1.5178 | |
| 238 | F | A | -1.0355 | |
| 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 | 0.0000 | |
| 249 | D | A | -2.3185 | |
| 250 | A | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | K | A | -3.0419 | |
| 253 | E | A | -3.1662 | |
| 254 | Y | A | -1.7368 | |
| 255 | S | A | 0.0000 | |
| 256 | E | A | -3.0575 | |
| 257 | K | A | -2.2484 | |
| 258 | S | A | -1.0971 | |
| 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 | -0.1813 | |
| 265 | F | A | 0.0000 | |
| 266 | A | A | -0.0450 | |
| 267 | W | A | -0.0775 | |
| 268 | H | A | 0.0000 | |
| 269 | D | A | -0.3668 | |
| 270 | P | A | -0.9934 | |
| 271 | L | A | 0.4769 | |
| 272 | A | A | -1.2362 | |
| 273 | E | A | -3.1838 | |
| 274 | E | A | -3.3824 | |
| 275 | Y | A | -3.0400 | |
| 276 | K | A | -4.3333 | |
| 277 | D | A | -4.5256 | |
| 278 | E | A | -3.7988 | |
| 279 | V | A | 0.0000 | |
| 280 | E | A | -4.0369 | |
| 281 | E | A | -4.2932 | |
| 282 | I | A | -2.9459 | |
| 283 | R | A | 0.0000 | |
| 284 | K | A | -3.7097 | |
| 285 | K | A | -3.9530 | |
| 286 | D | A | -3.1258 | |
| 287 | Y | A | 0.0000 | |
| 288 | E | A | -2.3779 | |
| 289 | F | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | T | A | -1.0391 | |
| 292 | I | A | -0.1114 | |
| 293 | L | A | 0.0000 | |
| 294 | H | A | -1.2517 | |
| 295 | S | A | -0.8724 | |
| 296 | K | A | -1.4378 | |
| 297 | G | A | -1.3258 | |
| 298 | K | A | -1.2175 | |
| 299 | L | A | 0.0000 | |
| 300 | D | A | -0.6411 | |
| 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 | 0.3138 | |
| 308 | S | A | 0.0000 | |
| 309 | R | A | 0.2099 | |
| 310 | L | A | 0.5815 | |
| 311 | V | A | 0.0000 | |
| 312 | Y | A | 0.0000 | |
| 313 | G | A | 0.1785 | |
| 314 | A | A | -1.0302 | |
| 315 | K | A | -2.3478 | |
| 316 | D | A | -2.8351 | |
| 317 | G | A | -1.8816 | |
| 318 | H | A | -1.3491 | |
| 319 | L | A | -0.4035 | |
| 320 | V | A | 1.1128 | |
| 321 | P | A | 1.0632 | |
| 322 | L | A | 0.7544 | |
| 323 | P | A | -0.1188 | |
| 324 | G | A | -0.9098 | |
| 325 | Y | A | -0.2562 | |
| 326 | G | A | 0.0000 | |
| 327 | F | A | 0.7593 | |
| 328 | M | A | 0.2603 | |
| 329 | S | A | -1.2744 | |
| 330 | E | A | -2.9474 | |
| 331 | R | A | -3.1134 | |
| 332 | G | A | -2.1469 | |
| 333 | G | A | -1.6353 | |
| 334 | F | A | -1.4042 | |
| 335 | A | A | 0.0000 | |
| 336 | K | A | -2.2041 | |
| 337 | S | A | -1.2017 | |
| 338 | G | A | -1.3952 | |
| 339 | R | A | -0.9472 | |
| 340 | P | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | D | A | -2.1991 | |
| 344 | F | A | -0.9133 | |
| 345 | G | A | 0.0000 | |
| 346 | W | A | -0.1765 | |
| 347 | E | A | 0.0000 | |
| 348 | M | A | 0.0000 | |
| 349 | Y | A | -0.0221 | |
| 350 | P | A | 0.0000 | |
| 351 | E | A | -1.0023 | |
| 352 | G | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | E | A | -1.4918 | |
| 355 | N | A | -1.2108 | |
| 356 | L | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | K | A | -2.1838 | |
| 359 | Y | A | -1.1018 | |
| 360 | L | A | 0.0000 | |
| 361 | N | A | -2.2056 | |
| 362 | N | A | -2.0889 | |
| 363 | A | A | -1.3975 | |
| 364 | Y | A | 0.0000 | |
| 365 | E | A | -2.3139 | |
| 366 | L | A | -1.2462 | |
| 367 | P | A | -0.8734 | |
| 368 | M | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | E | A | -0.1518 | |
| 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 | -0.4134 | |
| 379 | A | A | 0.0000 | |
| 380 | D | A | 0.0000 | |
| 381 | R | A | -0.4290 | |
| 382 | Y | A | -0.0998 | |
| 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 | -1.0157 | |
| 393 | A | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | Y | A | -1.2198 | |
| 396 | N | A | -1.9560 | |
| 397 | A | A | 0.0000 | |
| 398 | M | A | 0.0000 | |
| 399 | K | A | -3.0070 | |
| 400 | E | A | -3.2791 | |
| 401 | G | A | -2.4464 | |
| 402 | A | A | 0.0000 | |
| 403 | D | A | -2.1109 | |
| 404 | V | A | 0.0000 | |
| 405 | R | A | -1.5566 | |
| 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 | -0.6470 | |
| 418 | W | A | -0.1184 | |
| 419 | A | A | -0.5142 | |
| 420 | Q | A | -1.0485 | |
| 421 | G | A | 0.0000 | |
| 422 | F | A | -0.9228 | |
| 423 | R | A | -2.0930 | |
| 424 | M | A | 0.0000 | |
| 425 | R | A | -0.7591 | |
| 426 | F | A | 0.0000 | |
| 427 | G | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | Y | A | -0.3053 | |
| 431 | V | A | 0.0000 | |
| 432 | D | A | -1.5881 | |
| 433 | F | A | -1.7325 | |
| 434 | E | A | -2.3943 | |
| 435 | T | A | -1.7835 | |
| 436 | K | A | -1.7169 | |
| 437 | K | A | -2.2756 | |
| 438 | R | A | -1.1617 | |
| 439 | Y | A | -0.7351 | |
| 440 | L | A | -0.1636 | |
| 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 | -2.1625 | |
| 449 | E | A | -1.6324 | |
| 450 | I | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | T | A | -1.9960 | |
| 453 | Q | A | -2.2989 | |
| 454 | K | A | -2.9729 | |
| 455 | E | A | -2.2212 | |
| 456 | I | A | -1.4338 | |
| 457 | P | A | 0.0000 | |
| 458 | E | A | -2.2556 | |
| 459 | E | A | -1.9754 | |
| 460 | L | A | 0.0000 | |
| 461 | A | A | -1.1887 | |
| 462 | H | A | -1.0816 | |
| 463 | L | A | 0.0000 | |
| 464 | A | A | 0.0000 | |
| 465 | D | A | -1.4457 | |
| 466 | L | A | 0.0000 | |
| 467 | K | A | -1.4482 | |
| 468 | F | A | -0.2895 | |
| 469 | V | A | 0.0000 | |
| 470 | T | A | -1.2405 | |
| 471 | R | A | -2.1181 | |
| 1 | A | B | -1.5626 | |
| 2 | K | B | -2.5458 | |
| 3 | F | B | 0.0000 | |
| 4 | P | B | -2.0704 | |
| 5 | K | B | -2.6383 | |
| 6 | N | B | -2.4076 | |
| 7 | F | B | 0.0000 | |
| 8 | M | B | -0.8568 | |
| 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 | -0.3448 | |
| 23 | P | B | -0.8234 | |
| 24 | G | B | -1.2167 | |
| 25 | S | B | 0.0000 | |
| 26 | E | B | -2.4266 | |
| 27 | V | B | 0.0000 | |
| 28 | E | B | -1.9703 | |
| 29 | S | B | 0.0000 | |
| 30 | D | B | 0.0000 | |
| 31 | W | B | 0.0000 | |
| 32 | W | B | -0.4193 | |
| 33 | V | B | -0.1466 | |
| 34 | W | B | 0.0000 | |
| 35 | V | B | 0.0000 | |
| 36 | H | B | -0.5850 | |
| 37 | D | B | -1.0050 | |
| 38 | K | B | -1.6789 | |
| 39 | E | B | -0.7955 | |
| 40 | N | B | 0.0000 | |
| 41 | I | B | -0.3660 | |
| 42 | A | B | -0.3410 | |
| 43 | S | B | -0.4817 | |
| 44 | G | B | -0.4273 | |
| 45 | L | B | 0.0000 | |
| 46 | V | B | 0.0000 | |
| 47 | S | B | -0.6367 | |
| 48 | G | B | -0.6969 | |
| 49 | D | B | -0.9459 | |
| 50 | L | B | 0.0533 | |
| 51 | P | B | 0.0000 | |
| 52 | E | B | -0.9171 | |
| 53 | N | B | -0.7355 | |
| 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 | -0.7979 | |
| 60 | L | B | -0.7779 | |
| 61 | Y | B | 0.0000 | |
| 62 | K | B | -2.1543 | |
| 63 | Q | B | -1.8959 | |
| 64 | D | B | 0.0000 | |
| 65 | H | B | 0.0000 | |
| 66 | D | B | -2.4019 | |
| 67 | I | B | -1.6307 | |
| 68 | A | B | 0.0000 | |
| 69 | E | B | -2.5619 | |
| 70 | K | B | -2.5298 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | 0.0000 | |
| 73 | M | B | 0.0000 | |
| 74 | D | B | -0.7545 | |
| 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 | -1.3176 | |
| 88 | K | B | -1.8139 | |
| 89 | P | B | -0.8938 | |
| 90 | T | B | 0.0000 | |
| 91 | F | B | -0.7456 | |
| 92 | D | B | -2.0027 | |
| 93 | V | B | 0.0000 | |
| 94 | K | B | -2.4086 | |
| 95 | V | B | -1.7342 | |
| 96 | D | B | -2.7072 | |
| 97 | V | B | -1.8456 | |
| 98 | E | B | -2.9530 | |
| 99 | K | B | -3.5177 | |
| 100 | D | B | -3.5926 | |
| 101 | E | B | -3.7268 | |
| 102 | E | B | -3.5398 | |
| 103 | G | B | -2.8080 | |
| 104 | N | B | -2.3541 | |
| 105 | I | B | -1.2897 | |
| 106 | I | B | -0.1891 | |
| 107 | S | B | -0.8369 | |
| 108 | V | B | 0.0000 | |
| 109 | D | B | -2.9257 | |
| 110 | V | B | 0.0000 | |
| 111 | P | B | -2.0975 | |
| 112 | E | B | -2.7206 | |
| 113 | S | B | -2.1199 | |
| 114 | T | B | -2.1988 | |
| 115 | I | B | 0.0000 | |
| 116 | K | B | -3.4184 | |
| 117 | E | B | -3.8034 | |
| 118 | L | B | 0.0000 | |
| 119 | E | B | -2.1718 | |
| 120 | K | B | -2.7719 | |
| 121 | I | B | -1.8020 | |
| 122 | A | B | -1.5829 | |
| 123 | N | B | -1.5493 | |
| 124 | M | B | -1.5439 | |
| 125 | E | B | -2.4931 | |
| 126 | A | B | -1.8380 | |
| 127 | L | B | 0.0000 | |
| 128 | E | B | -3.1225 | |
| 129 | H | B | -2.2782 | |
| 130 | Y | B | 0.0000 | |
| 131 | R | B | -2.5204 | |
| 132 | K | B | -2.5067 | |
| 133 | I | B | 0.0000 | |
| 134 | Y | B | 0.0000 | |
| 135 | S | B | -1.7789 | |
| 136 | D | B | -1.9386 | |
| 137 | W | B | 0.0000 | |
| 138 | K | B | -2.1689 | |
| 139 | E | B | -2.5658 | |
| 140 | R | B | -2.2034 | |
| 141 | G | B | -1.8941 | |
| 142 | K | B | -1.7827 | |
| 143 | T | B | -0.9162 | |
| 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 | 0.0000 | |
| 152 | P | B | 0.0000 | |
| 153 | L | B | 0.0000 | |
| 154 | P | B | 0.0000 | |
| 155 | L | B | -0.3377 | |
| 156 | W | B | -0.3396 | |
| 157 | I | B | 0.0000 | |
| 158 | H | B | 0.0000 | |
| 159 | D | B | -0.1935 | |
| 160 | P | B | 0.0000 | |
| 161 | I | B | 0.0369 | |
| 162 | A | B | -0.2914 | |
| 163 | V | B | 0.0000 | |
| 164 | R | B | -0.3731 | |
| 165 | K | B | -0.2591 | |
| 166 | L | B | -0.2323 | |
| 167 | G | B | -0.6048 | |
| 168 | P | B | -1.4078 | |
| 169 | D | B | -2.4904 | |
| 170 | R | B | -2.5694 | |
| 171 | A | B | -1.3587 | |
| 172 | P | B | -0.9260 | |
| 173 | A | B | -1.1188 | |
| 174 | G | B | 0.0000 | |
| 175 | W | B | 0.0000 | |
| 176 | L | B | 0.0000 | |
| 177 | D | B | -2.3696 | |
| 178 | E | B | -2.8074 | |
| 179 | K | B | -2.4761 | |
| 180 | T | B | 0.0000 | |
| 181 | V | B | 0.0000 | |
| 182 | V | B | -0.4704 | |
| 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 | -0.2764 | |
| 194 | H | B | -0.6001 | |
| 195 | L | B | 0.0000 | |
| 196 | D | B | -1.5472 | |
| 197 | D | B | -2.1334 | |
| 198 | L | B | -1.6362 | |
| 199 | V | B | 0.0000 | |
| 200 | D | B | -1.2505 | |
| 201 | M | B | -0.5512 | |
| 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 | -0.1397 | |
| 208 | P | B | 0.0000 | |
| 209 | N | B | -0.4934 | |
| 210 | V | B | -0.0082 | |
| 211 | V | B | 0.0659 | |
| 212 | Y | B | 0.0000 | |
| 213 | N | B | -0.5981 | |
| 214 | Q | B | -0.6319 | |
| 215 | G | B | 0.0000 | |
| 216 | Y | B | 0.0000 | |
| 217 | I | B | -0.3012 | |
| 218 | N | B | -0.7316 | |
| 219 | L | B | 0.0000 | |
| 220 | R | B | -2.0876 | |
| 221 | S | B | -1.0688 | |
| 222 | G | B | 0.0000 | |
| 223 | F | B | -0.0516 | |
| 224 | P | B | 0.1191 | |
| 225 | P | B | 0.0000 | |
| 226 | G | B | -0.2616 | |
| 227 | Y | B | -0.0250 | |
| 228 | L | B | 0.0000 | |
| 229 | S | B | -0.6941 | |
| 230 | F | B | -0.9978 | |
| 231 | E | B | -2.4248 | |
| 232 | A | B | 0.0000 | |
| 233 | A | B | 0.0000 | |
| 234 | E | B | -2.4445 | |
| 235 | K | B | -2.3057 | |
| 236 | A | B | 0.0000 | |
| 237 | K | B | -0.9511 | |
| 238 | F | B | 0.1472 | |
| 239 | N | B | 0.0000 | |
| 240 | L | B | 0.0000 | |
| 241 | I | B | 0.0000 | |
| 242 | Q | B | 0.0633 | |
| 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 | -0.4171 | |
| 249 | D | B | -0.9922 | |
| 250 | A | B | 0.0000 | |
| 251 | I | B | 0.0000 | |
| 252 | K | B | -2.0453 | |
| 253 | E | B | -2.2638 | |
| 254 | Y | B | -1.2096 | |
| 255 | S | B | 0.0000 | |
| 256 | E | B | -2.4662 | |
| 257 | K | B | -1.7461 | |
| 258 | S | B | -0.9677 | |
| 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 | -0.1062 | |
| 265 | F | B | 0.0000 | |
| 266 | A | B | 0.1034 | |
| 267 | W | B | -0.1028 | |
| 268 | H | B | 0.0000 | |
| 269 | D | B | -0.2396 | |
| 270 | P | B | -1.1364 | |
| 271 | L | B | 0.6074 | |
| 272 | A | B | -1.0546 | |
| 273 | E | B | -3.3628 | |
| 274 | E | B | -3.4540 | |
| 275 | Y | B | -3.0182 | |
| 276 | K | B | -4.3591 | |
| 277 | D | B | -4.7506 | |
| 278 | E | B | -4.4517 | |
| 279 | V | B | 0.0000 | |
| 280 | E | B | -4.4217 | |
| 281 | E | B | -4.5954 | |
| 282 | I | B | -3.3074 | |
| 283 | R | B | 0.0000 | |
| 284 | K | B | -3.9336 | |
| 285 | K | B | -3.7654 | |
| 286 | D | B | -2.6216 | |
| 287 | Y | B | 0.0000 | |
| 288 | E | B | -2.3888 | |
| 289 | F | B | 0.0000 | |
| 290 | V | B | 0.0000 | |
| 291 | T | B | -1.1014 | |
| 292 | I | B | -0.4596 | |
| 293 | L | B | 0.0000 | |
| 294 | H | B | -1.3540 | |
| 295 | S | B | -1.2248 | |
| 296 | K | B | -2.0352 | |
| 297 | G | B | -1.5031 | |
| 298 | K | B | 0.0000 | |
| 299 | L | B | 0.0000 | |
| 300 | D | B | -0.7837 | |
| 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 | 0.3225 | |
| 308 | S | B | 0.0000 | |
| 309 | R | B | 0.0000 | |
| 310 | L | B | 0.6676 | |
| 311 | V | B | 0.0000 | |
| 312 | Y | B | 0.1581 | |
| 313 | G | B | 0.0000 | |
| 314 | A | B | -1.2796 | |
| 315 | K | B | -2.3046 | |
| 316 | D | B | -2.7820 | |
| 317 | G | B | -2.0453 | |
| 318 | H | B | -2.0427 | |
| 319 | L | B | -0.9374 | |
| 320 | V | B | -0.2355 | |
| 321 | P | B | 0.3089 | |
| 322 | L | B | 0.5269 | |
| 323 | P | B | -0.2427 | |
| 324 | G | B | -0.8668 | |
| 325 | Y | B | -0.1455 | |
| 326 | G | B | 0.0000 | |
| 327 | F | B | 0.7893 | |
| 328 | M | B | 0.3442 | |
| 329 | S | B | -1.0020 | |
| 330 | E | B | -2.6659 | |
| 331 | R | B | -2.7543 | |
| 332 | G | B | -1.7481 | |
| 333 | G | B | -1.4485 | |
| 334 | F | B | -0.8387 | |
| 335 | A | B | 0.0000 | |
| 336 | K | B | -1.9008 | |
| 337 | S | B | -1.1527 | |
| 338 | G | B | -1.3096 | |
| 339 | R | B | -0.7937 | |
| 340 | P | B | 0.0000 | |
| 341 | A | B | 0.0000 | |
| 342 | S | B | 0.0000 | |
| 343 | D | B | -1.9897 | |
| 344 | F | B | -1.1950 | |
| 345 | G | B | 0.0000 | |
| 346 | W | B | 0.0087 | |
| 347 | E | B | 0.0000 | |
| 348 | M | B | 0.0000 | |
| 349 | Y | B | -0.0215 | |
| 350 | P | B | 0.0000 | |
| 351 | E | B | -1.0721 | |
| 352 | G | B | 0.0000 | |
| 353 | L | B | 0.0000 | |
| 354 | E | B | -1.4127 | |
| 355 | N | B | -1.1047 | |
| 356 | L | B | 0.0000 | |
| 357 | L | B | 0.0000 | |
| 358 | K | B | -2.3033 | |
| 359 | Y | B | -1.0356 | |
| 360 | L | B | 0.0000 | |
| 361 | N | B | -2.1897 | |
| 362 | N | B | -2.0923 | |
| 363 | A | B | -1.2966 | |
| 364 | Y | B | 0.0000 | |
| 365 | E | B | -2.4749 | |
| 366 | L | B | -1.2900 | |
| 367 | P | B | -1.1660 | |
| 368 | M | B | 0.0000 | |
| 369 | I | B | 0.0000 | |
| 370 | I | B | 0.0000 | |
| 371 | T | B | 0.0000 | |
| 372 | E | B | -0.1512 | |
| 373 | N | B | 0.0000 | |
| 374 | G | B | 0.0000 | |
| 375 | M | B | 0.0000 | |
| 376 | A | B | 0.0000 | |
| 377 | D | B | 0.0000 | |
| 378 | A | B | -0.2672 | |
| 379 | A | B | 0.1559 | |
| 380 | D | B | 0.0000 | |
| 381 | R | B | -0.4197 | |
| 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 | -0.6079 | |
| 390 | H | B | 0.0000 | |
| 391 | L | B | 0.0000 | |
| 392 | K | B | -0.9053 | |
| 393 | A | B | 0.0000 | |
| 394 | V | B | 0.0000 | |
| 395 | Y | B | -1.1598 | |
| 396 | N | B | -1.7101 | |
| 397 | A | B | 0.0000 | |
| 398 | M | B | -2.0622 | |
| 399 | K | B | -2.8043 | |
| 400 | E | B | -3.1857 | |
| 401 | G | B | -2.3396 | |
| 402 | A | B | 0.0000 | |
| 403 | D | B | -2.1527 | |
| 404 | V | B | 0.0000 | |
| 405 | R | B | -1.8658 | |
| 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 | -0.7652 | |
| 418 | W | B | 0.0000 | |
| 419 | A | B | 0.0000 | |
| 420 | Q | B | -1.0868 | |
| 421 | G | B | 0.0000 | |
| 422 | F | B | 0.0000 | |
| 423 | R | B | -2.2123 | |
| 424 | M | B | 0.0000 | |
| 425 | R | B | -0.7203 | |
| 426 | F | B | 0.0000 | |
| 427 | G | B | 0.0000 | |
| 428 | L | B | 0.0000 | |
| 429 | V | B | 0.0000 | |
| 430 | Y | B | -0.0757 | |
| 431 | V | B | 0.0000 | |
| 432 | D | B | -1.1407 | |
| 433 | F | B | -0.8761 | |
| 434 | E | B | -2.0012 | |
| 435 | T | B | -1.4195 | |
| 436 | K | B | -1.3020 | |
| 437 | K | B | -2.0251 | |
| 438 | R | B | 0.0000 | |
| 439 | Y | B | 0.0000 | |
| 440 | L | B | -0.2636 | |
| 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 | -1.1525 | |
| 449 | E | B | -0.7672 | |
| 450 | I | B | 0.0000 | |
| 451 | A | B | 0.0000 | |
| 452 | T | B | -1.2746 | |
| 453 | Q | B | -1.5417 | |
| 454 | K | B | -1.9679 | |
| 455 | E | B | -1.9855 | |
| 456 | I | B | 0.0000 | |
| 457 | P | B | 0.0000 | |
| 458 | E | B | -2.5388 | |
| 459 | E | B | -2.0580 | |
| 460 | L | B | 0.0000 | |
| 461 | A | B | -1.2153 | |
| 462 | H | B | -1.1406 | |
| 463 | L | B | 0.0000 | |
| 464 | A | B | -1.0663 | |
| 465 | D | B | -1.8759 | |
| 466 | L | B | -1.4078 | |
| 467 | K | B | -1.9993 | |
| 468 | F | B | -0.7262 | |
| 469 | V | B | 0.0000 | |
| 470 | T | B | -1.3937 | |
| 471 | R | B | -1.9677 | |
| 1 | A | C | -0.8855 | |
| 2 | K | C | -2.0129 | |
| 3 | F | C | 0.0000 | |
| 4 | P | C | -2.0657 | |
| 5 | K | C | -2.7932 | |
| 6 | N | C | -2.5448 | |
| 7 | F | C | 0.0000 | |
| 8 | M | C | 0.0000 | |
| 9 | F | C | 0.0000 | |
| 10 | G | C | 0.0000 | |
| 11 | Y | C | 0.0000 | |
| 12 | S | C | 0.0000 | |
| 13 | W | C | 0.0000 | |
| 14 | S | C | 0.0000 | |
| 15 | G | C | 0.0000 | |
| 16 | F | C | 0.0000 | |
| 17 | Q | C | 0.0000 | |
| 18 | F | C | 0.0000 | |
| 19 | E | C | 0.0000 | |
| 20 | M | C | 0.0000 | |
| 21 | G | C | 0.0000 | |
| 22 | L | C | -0.5634 | |
| 23 | P | C | -0.9172 | |
| 24 | G | C | -1.0600 | |
| 25 | S | C | 0.0000 | |
| 26 | E | C | -2.0993 | |
| 27 | V | C | -1.5436 | |
| 28 | E | C | -1.8583 | |
| 29 | S | C | 0.0000 | |
| 30 | D | C | 0.0000 | |
| 31 | W | C | 0.0000 | |
| 32 | W | C | -0.3333 | |
| 33 | V | C | 0.0174 | |
| 34 | W | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | H | C | -0.5057 | |
| 37 | D | C | -0.8643 | |
| 38 | K | C | -1.7829 | |
| 39 | E | C | -1.0022 | |
| 40 | N | C | 0.0000 | |
| 41 | I | C | 0.2147 | |
| 42 | A | C | -0.0388 | |
| 43 | S | C | 0.0000 | |
| 44 | G | C | -0.2526 | |
| 45 | L | C | 0.0000 | |
| 46 | V | C | -0.1327 | |
| 47 | S | C | -0.5097 | |
| 48 | G | C | -0.6321 | |
| 49 | D | C | -1.0662 | |
| 50 | L | C | -0.5929 | |
| 51 | P | C | 0.0000 | |
| 52 | E | C | -1.7173 | |
| 53 | N | C | -1.8287 | |
| 54 | G | C | 0.0000 | |
| 55 | P | C | 0.0000 | |
| 56 | A | C | 0.0000 | |
| 57 | Y | C | 0.0000 | |
| 58 | W | C | -0.4346 | |
| 59 | H | C | -0.7858 | |
| 60 | L | C | -0.8568 | |
| 61 | Y | C | -1.4014 | |
| 62 | K | C | -2.7165 | |
| 63 | Q | C | -2.4591 | |
| 64 | D | C | 0.0000 | |
| 65 | H | C | 0.0000 | |
| 66 | D | C | -2.8977 | |
| 67 | I | C | 0.0000 | |
| 68 | A | C | 0.0000 | |
| 69 | E | C | -1.9405 | |
| 70 | K | C | -1.6446 | |
| 71 | L | C | 0.0000 | |
| 72 | G | C | -1.3015 | |
| 73 | M | C | 0.0000 | |
| 74 | D | C | -1.1453 | |
| 75 | C | C | 0.0000 | |
| 76 | I | C | 0.0000 | |
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| 78 | G | C | 0.0000 | |
| 79 | G | C | 0.0000 | |
| 80 | I | C | 0.0000 | |
| 81 | E | C | 0.0000 | |
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| 83 | A | C | -0.3666 | |
| 84 | R | C | 0.0000 | |
| 85 | I | C | 0.0000 | |
| 86 | F | C | 0.0000 | |
| 87 | P | C | -1.2891 | |
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| 89 | P | C | -0.9288 | |
| 90 | T | C | 0.0000 | |
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| 95 | V | C | -1.9820 | |
| 96 | D | C | -2.8606 | |
| 97 | V | C | -1.8059 | |
| 98 | E | C | -2.3757 | |
| 99 | K | C | -2.5371 | |
| 100 | D | C | -2.9034 | |
| 101 | E | C | -3.4303 | |
| 102 | E | C | -3.3041 | |
| 103 | G | C | -2.5884 | |
| 104 | N | C | -1.4422 | |
| 105 | I | C | 0.0000 | |
| 106 | I | C | 0.8391 | |
| 107 | S | C | -0.5892 | |
| 108 | V | C | -1.5709 | |
| 109 | D | C | -3.0888 | |
| 110 | V | C | 0.0000 | |
| 111 | P | C | -2.4383 | |
| 112 | E | C | -2.5657 | |
| 113 | S | C | -2.1909 | |
| 114 | T | C | 0.0000 | |
| 115 | I | C | 0.0000 | |
| 116 | K | C | -3.3350 | |
| 117 | E | C | -2.9935 | |
| 118 | L | C | 0.0000 | |
| 119 | E | C | -2.3973 | |
| 120 | K | C | -2.6450 | |
| 121 | I | C | -1.6123 | |
| 122 | A | C | -1.6024 | |
| 123 | N | C | -1.5672 | |
| 124 | M | C | -1.6342 | |
| 125 | E | C | -2.5625 | |
| 126 | A | C | 0.0000 | |
| 127 | L | C | 0.0000 | |
| 128 | E | C | -3.2208 | |
| 129 | H | C | -2.2870 | |
| 130 | Y | C | 0.0000 | |
| 131 | R | C | -2.6274 | |
| 132 | K | C | -2.8015 | |
| 133 | I | C | 0.0000 | |
| 134 | Y | C | 0.0000 | |
| 135 | S | C | -2.1683 | |
| 136 | D | C | -2.0566 | |
| 137 | W | C | 0.0000 | |
| 138 | K | C | -2.3509 | |
| 139 | E | C | -2.5630 | |
| 140 | R | C | -2.2315 | |
| 141 | G | C | -1.8530 | |
| 142 | K | C | -1.7063 | |
| 143 | T | C | -0.9383 | |
| 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 | 0.0000 | |
| 151 | W | C | 0.1824 | |
| 152 | P | C | 0.0000 | |
| 153 | L | C | 0.0000 | |
| 154 | P | C | 0.0000 | |
| 155 | L | C | 0.0117 | |
| 156 | W | C | -0.1801 | |
| 157 | I | C | 0.0000 | |
| 158 | H | C | 0.0000 | |
| 159 | D | C | -0.1725 | |
| 160 | P | C | 0.0000 | |
| 161 | I | C | -0.1189 | |
| 162 | A | C | -0.5147 | |
| 163 | V | C | 0.0000 | |
| 164 | R | C | 0.0000 | |
| 165 | K | C | -1.2828 | |
| 166 | L | C | -0.3125 | |
| 167 | G | C | 0.0000 | |
| 168 | P | C | -1.4705 | |
| 169 | D | C | -2.4280 | |
| 170 | R | C | -2.6018 | |
| 171 | A | C | -1.5130 | |
| 172 | P | C | -0.9322 | |
| 173 | A | C | -1.2388 | |
| 174 | G | C | 0.0000 | |
| 175 | W | C | 0.0000 | |
| 176 | L | C | 0.0000 | |
| 177 | D | C | -2.0390 | |
| 178 | E | C | -2.5520 | |
| 179 | K | C | -1.9556 | |
| 180 | T | C | 0.0000 | |
| 181 | V | C | 0.0000 | |
| 182 | V | C | -0.5264 | |
| 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 | 0.0600 | |
| 194 | H | C | -0.4603 | |
| 195 | L | C | 0.0000 | |
| 196 | D | C | -1.6314 | |
| 197 | D | C | -2.1859 | |
| 198 | L | C | 0.0000 | |
| 199 | V | C | 0.0000 | |
| 200 | D | C | -1.4093 | |
| 201 | M | C | -0.6378 | |
| 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 | -0.1879 | |
| 208 | P | C | 0.0000 | |
| 209 | N | C | -0.6893 | |
| 210 | V | C | -0.1007 | |
| 211 | V | C | 0.0199 | |
| 212 | Y | C | -0.6735 | |
| 213 | N | C | -0.8472 | |
| 214 | Q | C | -0.7773 | |
| 215 | G | C | 0.0000 | |
| 216 | Y | C | 0.0000 | |
| 217 | I | C | 0.0000 | |
| 218 | N | C | -1.0234 | |
| 219 | L | C | 0.0000 | |
| 220 | R | C | -2.1055 | |
| 221 | S | C | -1.0168 | |
| 222 | G | C | 0.0000 | |
| 223 | F | C | 0.0000 | |
| 224 | P | C | 0.0628 | |
| 225 | P | C | 0.0000 | |
| 226 | G | C | -0.2586 | |
| 227 | Y | C | -0.0293 | |
| 228 | L | C | 0.0000 | |
| 229 | S | C | 0.0000 | |
| 230 | F | C | -0.9253 | |
| 231 | E | C | -2.4397 | |
| 232 | A | C | 0.0000 | |
| 233 | A | C | 0.0000 | |
| 234 | E | C | -3.0929 | |
| 235 | K | C | -2.9049 | |
| 236 | A | C | 0.0000 | |
| 237 | K | C | -1.6745 | |
| 238 | F | C | -0.8344 | |
| 239 | N | C | -1.2481 | |
| 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 | -0.1152 | |
| 246 | G | C | 0.0000 | |
| 247 | A | C | 0.0000 | |
| 248 | Y | C | 0.0000 | |
| 249 | D | C | -2.2465 | |
| 250 | A | C | 0.0000 | |
| 251 | I | C | 0.0000 | |
| 252 | K | C | -3.1344 | |
| 253 | E | C | -3.1298 | |
| 254 | Y | C | -1.7464 | |
| 255 | S | C | -2.0666 | |
| 256 | E | C | -2.8450 | |
| 257 | K | C | -1.9311 | |
| 258 | S | C | -1.1374 | |
| 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 | -0.1832 | |
| 265 | F | C | 0.0000 | |
| 266 | A | C | -0.1070 | |
| 267 | W | C | 0.0000 | |
| 268 | H | C | 0.0000 | |
| 269 | D | C | -0.6071 | |
| 270 | P | C | -1.4581 | |
| 271 | L | C | 0.1734 | |
| 272 | A | C | -1.2081 | |
| 273 | E | C | -3.0948 | |
| 274 | E | C | -3.3988 | |
| 275 | Y | C | -3.0927 | |
| 276 | K | C | -4.2973 | |
| 277 | D | C | -4.7754 | |
| 278 | E | C | -4.2711 | |
| 279 | V | C | 0.0000 | |
| 280 | E | C | -4.8982 | |
| 281 | E | C | -4.8109 | |
| 282 | I | C | -3.4690 | |
| 283 | R | C | -3.5199 | |
| 284 | K | C | -4.2643 | |
| 285 | K | C | -4.1447 | |
| 286 | D | C | -2.8799 | |
| 287 | Y | C | 0.0000 | |
| 288 | E | C | -2.7020 | |
| 289 | F | C | 0.0000 | |
| 290 | V | C | 0.0000 | |
| 291 | T | C | -1.3531 | |
| 292 | I | C | -0.6114 | |
| 293 | L | C | 0.0000 | |
| 294 | H | C | -1.1942 | |
| 295 | S | C | -1.1732 | |
| 296 | K | C | -1.9308 | |
| 297 | G | C | -1.5303 | |
| 298 | K | C | -1.3452 | |
| 299 | L | C | 0.0000 | |
| 300 | D | C | -0.6671 | |
| 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 | 0.2503 | |
| 308 | S | C | 0.0000 | |
| 309 | R | C | 0.0606 | |
| 310 | L | C | 0.4723 | |
| 311 | V | C | 0.0000 | |
| 312 | Y | C | 0.0000 | |
| 313 | G | C | 0.0000 | |
| 314 | A | C | -1.3385 | |
| 315 | K | C | -2.8559 | |
| 316 | D | C | -3.0948 | |
| 317 | G | C | -2.4783 | |
| 318 | H | C | -2.3072 | |
| 319 | L | C | -1.0780 | |
| 320 | V | C | -0.3831 | |
| 321 | P | C | 0.3986 | |
| 322 | L | C | 0.6123 | |
| 323 | P | C | -0.2530 | |
| 324 | G | C | -0.6923 | |
| 325 | Y | C | -0.2512 | |
| 326 | G | C | 0.0000 | |
| 327 | F | C | 0.6536 | |
| 328 | M | C | 0.2206 | |
| 329 | S | C | -1.0859 | |
| 330 | E | C | -2.7075 | |
| 331 | R | C | -2.7118 | |
| 332 | G | C | -1.6900 | |
| 333 | G | C | -1.3023 | |
| 334 | F | C | -1.1872 | |
| 335 | A | C | 0.0000 | |
| 336 | K | C | -1.9307 | |
| 337 | S | C | -1.1674 | |
| 338 | G | C | -1.2880 | |
| 339 | R | C | -0.8609 | |
| 340 | P | C | 0.0000 | |
| 341 | A | C | 0.0000 | |
| 342 | S | C | 0.0000 | |
| 343 | D | C | -1.7994 | |
| 344 | F | C | -0.9691 | |
| 345 | G | C | 0.0000 | |
| 346 | W | C | -0.0283 | |
| 347 | E | C | 0.0000 | |
| 348 | M | C | 0.0000 | |
| 349 | Y | C | 0.0000 | |
| 350 | P | C | -0.7272 | |
| 351 | E | C | -1.2591 | |
| 352 | G | C | 0.0000 | |
| 353 | L | C | 0.0000 | |
| 354 | E | C | -1.2967 | |
| 355 | N | C | -1.3506 | |
| 356 | L | C | 0.0000 | |
| 357 | L | C | 0.0000 | |
| 358 | K | C | -1.7134 | |
| 359 | Y | C | -0.8345 | |
| 360 | L | C | 0.0000 | |
| 361 | N | C | -1.6770 | |
| 362 | N | C | -1.8718 | |
| 363 | A | C | -1.0786 | |
| 364 | Y | C | 0.0000 | |
| 365 | E | C | -2.2013 | |
| 366 | L | C | -1.1134 | |
| 367 | P | C | -1.0270 | |
| 368 | M | C | 0.0000 | |
| 369 | I | C | 0.0000 | |
| 370 | I | C | 0.0000 | |
| 371 | T | C | 0.0000 | |
| 372 | E | C | -0.1537 | |
| 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 | -0.3302 | |
| 379 | A | C | -0.1582 | |
| 380 | D | C | 0.0000 | |
| 381 | R | C | -0.4945 | |
| 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 | -1.0644 | |
| 393 | A | C | 0.0000 | |
| 394 | V | C | 0.0000 | |
| 395 | Y | C | -1.0783 | |
| 396 | N | C | -1.6637 | |
| 397 | A | C | 0.0000 | |
| 398 | M | C | -1.8014 | |
| 399 | K | C | -2.6712 | |
| 400 | E | C | -2.9674 | |
| 401 | G | C | -2.2411 | |
| 402 | A | C | -1.9591 | |
| 403 | D | C | -1.6365 | |
| 404 | V | C | 0.0000 | |
| 405 | R | C | -2.1336 | |
| 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 | -0.6561 | |
| 418 | W | C | -0.1593 | |
| 419 | A | C | -0.7805 | |
| 420 | Q | C | -1.1092 | |
| 421 | G | C | 0.0000 | |
| 422 | F | C | -1.0267 | |
| 423 | R | C | -1.9431 | |
| 424 | M | C | 0.0000 | |
| 425 | R | C | 0.0000 | |
| 426 | F | C | 0.0000 | |
| 427 | G | C | 0.0000 | |
| 428 | L | C | 0.0000 | |
| 429 | V | C | 0.0000 | |
| 430 | Y | C | 0.0000 | |
| 431 | V | C | 0.0000 | |
| 432 | D | C | -1.3297 | |
| 433 | F | C | -1.4397 | |
| 434 | E | C | -2.2985 | |
| 435 | T | C | -1.6000 | |
| 436 | K | C | -1.6360 | |
| 437 | K | C | -2.3649 | |
| 438 | R | C | -1.3195 | |
| 439 | Y | C | -1.0774 | |
| 440 | L | C | 0.0000 | |
| 441 | R | C | 0.0000 | |
| 442 | P | C | 0.0000 | |
| 443 | S | C | 0.0000 | |
| 444 | A | C | 0.0000 | |
| 445 | L | C | 0.0000 | |
| 446 | V | C | 0.0000 | |
| 447 | F | C | 0.0000 | |
| 448 | R | C | -1.6327 | |
| 449 | E | C | -1.4297 | |
| 450 | I | C | 0.0000 | |
| 451 | A | C | 0.0000 | |
| 452 | T | C | -1.3259 | |
| 453 | Q | C | -1.8885 | |
| 454 | K | C | -1.8752 | |
| 455 | E | C | -1.6931 | |
| 456 | I | C | -1.2194 | |
| 457 | P | C | 0.0000 | |
| 458 | E | C | -2.0831 | |
| 459 | E | C | -1.5795 | |
| 460 | L | C | 0.0000 | |
| 461 | A | C | -1.1292 | |
| 462 | H | C | -1.1266 | |
| 463 | L | C | 0.0000 | |
| 464 | A | C | -0.8219 | |
| 465 | D | C | -1.2389 | |
| 466 | L | C | -1.0311 | |
| 467 | K | C | -1.7297 | |
| 468 | F | C | -0.4142 | |
| 469 | V | C | 0.0000 | |
| 470 | T | C | -1.2911 | |
| 471 | R | C | -1.9602 | |
| 1 | A | D | -1.0265 | |
| 2 | K | D | -2.0602 | |
| 3 | F | D | 0.0000 | |
| 4 | P | D | -2.0552 | |
| 5 | K | D | -2.8868 | |
| 6 | N | D | -2.4620 | |
| 7 | F | D | 0.0000 | |
| 8 | M | D | 0.0000 | |
| 9 | F | D | 0.0000 | |
| 10 | G | D | 0.0000 | |
| 11 | Y | D | 0.0000 | |
| 12 | S | D | 0.0000 | |
| 13 | W | D | 0.0000 | |
| 14 | S | D | 0.0000 | |
| 15 | G | D | 0.0000 | |
| 16 | F | D | 0.0000 | |
| 17 | Q | D | 0.0000 | |
| 18 | F | D | 0.0000 | |
| 19 | E | D | 0.0000 | |
| 20 | M | D | 0.0000 | |
| 21 | G | D | 0.0000 | |
| 22 | L | D | -0.2258 | |
| 23 | P | D | -0.7262 | |
| 24 | G | D | -1.1041 | |
| 25 | S | D | -1.1835 | |
| 26 | E | D | -2.3671 | |
| 27 | V | D | 0.0000 | |
| 28 | E | D | -2.0885 | |
| 29 | S | D | 0.0000 | |
| 30 | D | D | 0.0000 | |
| 31 | W | D | 0.0000 | |
| 32 | W | D | -0.5153 | |
| 33 | V | D | -0.2654 | |
| 34 | W | D | 0.0000 | |
| 35 | V | D | 0.0000 | |
| 36 | H | D | -0.8424 | |
| 37 | D | D | -1.0411 | |
| 38 | K | D | -1.6707 | |
| 39 | E | D | -0.9613 | |
| 40 | N | D | 0.0000 | |
| 41 | I | D | -0.2209 | |
| 42 | A | D | -0.1628 | |
| 43 | S | D | 0.0000 | |
| 44 | G | D | -0.8251 | |
| 45 | L | D | -0.4294 | |
| 46 | V | D | 0.0000 | |
| 47 | S | D | -0.4970 | |
| 48 | G | D | -0.6250 | |
| 49 | D | D | -0.2031 | |
| 50 | L | D | 0.7289 | |
| 51 | P | D | -0.1678 | |
| 52 | E | D | -0.6660 | |
| 53 | N | D | -0.6117 | |
| 54 | G | D | 0.0000 | |
| 55 | P | D | 0.0000 | |
| 56 | A | D | 0.0000 | |
| 57 | Y | D | 0.0000 | |
| 58 | W | D | -0.2400 | |
| 59 | H | D | -0.7963 | |
| 60 | L | D | -0.5702 | |
| 61 | Y | D | 0.0000 | |
| 62 | K | D | -2.1756 | |
| 63 | Q | D | -2.1242 | |
| 64 | D | D | 0.0000 | |
| 65 | H | D | 0.0000 | |
| 66 | D | D | -2.7240 | |
| 67 | I | D | 0.0000 | |
| 68 | A | D | 0.0000 | |
| 69 | E | D | -1.9916 | |
| 70 | K | D | -2.0033 | |
| 71 | L | D | 0.0000 | |
| 72 | G | D | -1.2356 | |
| 73 | M | D | 0.0000 | |
| 74 | D | D | -1.3569 | |
| 75 | C | D | 0.0000 | |
| 76 | I | D | 0.0000 | |
| 77 | R | D | 0.0000 | |
| 78 | G | D | 0.0000 | |
| 79 | G | D | 0.0000 | |
| 80 | I | D | 0.0000 | |
| 81 | E | D | 0.0000 | |
| 82 | W | D | 0.0000 | |
| 83 | A | D | 0.0000 | |
| 84 | R | D | -0.9829 | |
| 85 | I | D | 0.0000 | |
| 86 | F | D | 0.0000 | |
| 87 | P | D | -1.1977 | |
| 88 | K | D | -1.4885 | |
| 89 | P | D | -0.7754 | |
| 90 | T | D | 0.0000 | |
| 91 | F | D | -0.8551 | |
| 92 | D | D | -2.0093 | |
| 93 | V | D | 0.0000 | |
| 94 | K | D | -2.3553 | |
| 95 | V | D | -1.8875 | |
| 96 | D | D | -2.7676 | |
| 97 | V | D | -1.6295 | |
| 98 | E | D | -2.1870 | |
| 99 | K | D | -2.3284 | |
| 100 | D | D | -2.9094 | |
| 101 | E | D | -3.4511 | |
| 102 | E | D | -3.2572 | |
| 103 | G | D | -2.4835 | |
| 104 | N | D | -1.4355 | |
| 105 | I | D | 0.0000 | |
| 106 | I | D | 0.7403 | |
| 107 | S | D | -0.7296 | |
| 108 | V | D | -1.5020 | |
| 109 | D | D | -3.0081 | |
| 110 | V | D | 0.0000 | |
| 111 | P | D | -2.2736 | |
| 112 | E | D | -2.6194 | |
| 113 | S | D | -1.9822 | |
| 114 | T | D | -2.2575 | |
| 115 | I | D | 0.0000 | |
| 116 | K | D | -3.2492 | |
| 117 | E | D | -3.3403 | |
| 118 | L | D | 0.0000 | |
| 119 | E | D | -1.9966 | |
| 120 | K | D | -2.4138 | |
| 121 | I | D | -1.1987 | |
| 122 | A | D | -1.3560 | |
| 123 | N | D | -1.3071 | |
| 124 | M | D | -1.2810 | |
| 125 | E | D | -2.3013 | |
| 126 | A | D | -1.4759 | |
| 127 | L | D | 0.0000 | |
| 128 | E | D | -2.6072 | |
| 129 | H | D | -2.1256 | |
| 130 | Y | D | 0.0000 | |
| 131 | R | D | -2.4918 | |
| 132 | K | D | -2.7218 | |
| 133 | I | D | 0.0000 | |
| 134 | Y | D | 0.0000 | |
| 135 | S | D | -2.1486 | |
| 136 | D | D | -2.4011 | |
| 137 | W | D | 0.0000 | |
| 138 | K | D | -2.3319 | |
| 139 | E | D | -2.7019 | |
| 140 | R | D | -2.3294 | |
| 141 | G | D | -1.8881 | |
| 142 | K | D | -1.7031 | |
| 143 | T | D | -0.7401 | |
| 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 | 0.1267 | |
| 152 | P | D | 0.0000 | |
| 153 | L | D | 0.0000 | |
| 154 | P | D | 0.0000 | |
| 155 | L | D | -0.3940 | |
| 156 | W | D | -0.3930 | |
| 157 | I | D | 0.0000 | |
| 158 | H | D | 0.0000 | |
| 159 | D | D | -0.1562 | |
| 160 | P | D | 0.0000 | |
| 161 | I | D | 0.1138 | |
| 162 | A | D | -0.5248 | |
| 163 | V | D | 0.0000 | |
| 164 | R | D | 0.0000 | |
| 165 | K | D | -0.3911 | |
| 166 | L | D | -0.2549 | |
| 167 | G | D | -0.8479 | |
| 168 | P | D | -1.3953 | |
| 169 | D | D | -2.6848 | |
| 170 | R | D | -2.5993 | |
| 171 | A | D | -1.4870 | |
| 172 | P | D | -0.9574 | |
| 173 | A | D | 0.0000 | |
| 174 | G | D | 0.0000 | |
| 175 | W | D | 0.0000 | |
| 176 | L | D | 0.0000 | |
| 177 | D | D | -2.5344 | |
| 178 | E | D | -3.1241 | |
| 179 | K | D | -2.6248 | |
| 180 | T | D | 0.0000 | |
| 181 | V | D | 0.0000 | |
| 182 | V | D | -0.7478 | |
| 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 | -0.4192 | |
| 194 | H | D | -0.6256 | |
| 195 | L | D | 0.0000 | |
| 196 | D | D | -1.8212 | |
| 197 | D | D | -2.2221 | |
| 198 | L | D | -1.5233 | |
| 199 | V | D | 0.0000 | |
| 200 | D | D | -1.2434 | |
| 201 | M | D | -0.6714 | |
| 202 | W | D | 0.0000 | |
| 203 | S | D | 0.0000 | |
| 204 | T | D | 0.0000 | |
| 205 | M | D | 0.0000 | |
| 206 | N | D | 0.0000 | |
| 207 | E | D | -0.1712 | |
| 208 | P | D | 0.0000 | |
| 209 | N | D | -0.6484 | |
| 210 | V | D | -0.2920 | |
| 211 | V | D | 0.0000 | |
| 212 | Y | D | 0.0000 | |
| 213 | N | D | -0.9904 | |
| 214 | Q | D | -1.0416 | |
| 215 | G | D | 0.0000 | |
| 216 | Y | D | 0.0000 | |
| 217 | I | D | -0.4067 | |
| 218 | N | D | -0.6294 | |
| 219 | L | D | 0.0000 | |
| 220 | R | D | -1.1335 | |
| 221 | S | D | -0.6667 | |
| 222 | G | D | 0.0000 | |
| 223 | F | D | 0.0000 | |
| 224 | P | D | 0.0000 | |
| 225 | P | D | 0.0000 | |
| 226 | G | D | -0.2648 | |
| 227 | Y | D | -0.2072 | |
| 228 | L | D | 0.0000 | |
| 229 | S | D | -0.9504 | |
| 230 | F | D | -0.8784 | |
| 231 | E | D | -2.3178 | |
| 232 | A | D | -1.6234 | |
| 233 | A | D | 0.0000 | |
| 234 | E | D | -2.7827 | |
| 235 | K | D | -2.6175 | |
| 236 | A | D | 0.0000 | |
| 237 | K | D | -1.1563 | |
| 238 | F | D | -0.6543 | |
| 239 | N | D | 0.0000 | |
| 240 | L | D | 0.0000 | |
| 241 | I | D | 0.0000 | |
| 242 | Q | D | 0.0000 | |
| 243 | A | D | 0.0000 | |
| 244 | H | D | 0.0000 | |
| 245 | I | D | 0.0000 | |
| 246 | G | D | 0.0000 | |
| 247 | A | D | 0.0000 | |
| 248 | Y | D | 0.0000 | |
| 249 | D | D | -1.7865 | |
| 250 | A | D | 0.0000 | |
| 251 | I | D | 0.0000 | |
| 252 | K | D | -2.8447 | |
| 253 | E | D | -2.9077 | |
| 254 | Y | D | -1.4641 | |
| 255 | S | D | 0.0000 | |
| 256 | E | D | -2.8447 | |
| 257 | K | D | -2.2572 | |
| 258 | S | D | -1.1850 | |
| 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 | -0.1940 | |
| 265 | F | D | 0.0000 | |
| 266 | A | D | 0.0439 | |
| 267 | W | D | -0.1029 | |
| 268 | H | D | 0.0000 | |
| 269 | D | D | -0.1700 | |
| 270 | P | D | -0.9809 | |
| 271 | L | D | 0.6626 | |
| 272 | A | D | -0.9950 | |
| 273 | E | D | -3.1382 | |
| 274 | E | D | -3.4548 | |
| 275 | Y | D | -3.0931 | |
| 276 | K | D | -4.1766 | |
| 277 | D | D | -4.4751 | |
| 278 | E | D | -3.9380 | |
| 279 | V | D | 0.0000 | |
| 280 | E | D | -3.7967 | |
| 281 | E | D | -4.0528 | |
| 282 | I | D | -2.7922 | |
| 283 | R | D | 0.0000 | |
| 284 | K | D | -3.8985 | |
| 285 | K | D | -3.9083 | |
| 286 | D | D | -3.2654 | |
| 287 | Y | D | 0.0000 | |
| 288 | E | D | -2.9218 | |
| 289 | F | D | 0.0000 | |
| 290 | V | D | 0.0000 | |
| 291 | T | D | -1.1040 | |
| 292 | I | D | -0.5736 | |
| 293 | L | D | 0.0000 | |
| 294 | H | D | -1.2713 | |
| 295 | S | D | -0.9934 | |
| 296 | K | D | -1.5203 | |
| 297 | G | D | -1.3192 | |
| 298 | K | D | -1.0858 | |
| 299 | L | D | 0.0000 | |
| 300 | D | D | -0.6313 | |
| 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 | 0.3315 | |
| 308 | S | D | 0.0000 | |
| 309 | R | D | 0.0000 | |
| 310 | L | D | 0.5256 | |
| 311 | V | D | 0.0000 | |
| 312 | Y | D | 0.3646 | |
| 313 | G | D | 0.0000 | |
| 314 | A | D | -1.3551 | |
| 315 | K | D | -2.7855 | |
| 316 | D | D | -3.0114 | |
| 317 | G | D | -2.3905 | |
| 318 | H | D | -2.0264 | |
| 319 | L | D | -1.0969 | |
| 320 | V | D | -0.2457 | |
| 321 | P | D | 0.2065 | |
| 322 | L | D | 0.6575 | |
| 323 | P | D | -0.3361 | |
| 324 | G | D | -0.7511 | |
| 325 | Y | D | -0.1628 | |
| 326 | G | D | 0.0000 | |
| 327 | F | D | 0.9954 | |
| 328 | M | D | 0.1723 | |
| 329 | S | D | -1.0043 | |
| 330 | E | D | -2.5621 | |
| 331 | R | D | -2.4730 | |
| 332 | G | D | -1.3854 | |
| 333 | G | D | -1.1978 | |
| 334 | F | D | -0.8921 | |
| 335 | A | D | 0.0000 | |
| 336 | K | D | -2.0914 | |
| 337 | S | D | -1.2172 | |
| 338 | G | D | -1.3435 | |
| 339 | R | D | -1.0583 | |
| 340 | P | D | 0.0000 | |
| 341 | A | D | 0.0000 | |
| 342 | S | D | 0.0000 | |
| 343 | D | D | -1.0126 | |
| 344 | F | D | -0.3980 | |
| 345 | G | D | 0.0000 | |
| 346 | W | D | 0.2328 | |
| 347 | E | D | 0.0000 | |
| 348 | M | D | 0.0000 | |
| 349 | Y | D | 0.0000 | |
| 350 | P | D | -1.0439 | |
| 351 | E | D | -1.7682 | |
| 352 | G | D | 0.0000 | |
| 353 | L | D | 0.0000 | |
| 354 | E | D | -1.3662 | |
| 355 | N | D | -0.9495 | |
| 356 | L | D | 0.0000 | |
| 357 | L | D | 0.0000 | |
| 358 | K | D | -1.5416 | |
| 359 | Y | D | -0.6923 | |
| 360 | L | D | 0.0000 | |
| 361 | N | D | -2.0293 | |
| 362 | N | D | -1.8828 | |
| 363 | A | D | -1.0242 | |
| 364 | Y | D | -1.1758 | |
| 365 | E | D | -2.4091 | |
| 366 | L | D | -1.2682 | |
| 367 | P | D | -1.1117 | |
| 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 | -0.2692 | |
| 379 | A | D | -0.0802 | |
| 380 | D | D | 0.0000 | |
| 381 | R | D | -0.4240 | |
| 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 | -0.9071 | |
| 393 | A | D | 0.0000 | |
| 394 | V | D | 0.0000 | |
| 395 | Y | D | -1.0311 | |
| 396 | N | D | -1.7520 | |
| 397 | A | D | 0.0000 | |
| 398 | M | D | -1.9304 | |
| 399 | K | D | -2.8193 | |
| 400 | E | D | -3.0540 | |
| 401 | G | D | -2.5655 | |
| 402 | A | D | 0.0000 | |
| 403 | D | D | -2.2052 | |
| 404 | V | D | 0.0000 | |
| 405 | R | D | -1.6790 | |
| 406 | G | D | 0.0000 | |
| 407 | Y | D | 0.0000 | |
| 408 | L | D | 0.0000 | |
| 409 | H | D | 0.0000 | |
| 410 | W | D | 0.0000 | |
| 411 | S | D | 0.0000 | |
| 412 | L | D | 0.0000 | |
| 413 | T | D | 0.0000 | |
| 414 | D | D | 0.0000 | |
| 415 | N | D | -0.1141 | |
| 416 | Y | D | 0.0000 | |
| 417 | E | D | -0.5643 | |
| 418 | W | D | -0.2378 | |
| 419 | A | D | -0.3595 | |
| 420 | Q | D | -1.1250 | |
| 421 | G | D | 0.0000 | |
| 422 | F | D | -0.8721 | |
| 423 | R | D | -1.7844 | |
| 424 | M | D | -0.7782 | |
| 425 | R | D | -0.3450 | |
| 426 | F | D | 0.1319 | |
| 427 | G | D | 0.0000 | |
| 428 | L | D | 0.0000 | |
| 429 | V | D | 0.0000 | |
| 430 | Y | D | -0.3132 | |
| 431 | V | D | 0.0000 | |
| 432 | D | D | -1.4874 | |
| 433 | F | D | -1.1258 | |
| 434 | E | D | -2.2549 | |
| 435 | T | D | -1.6376 | |
| 436 | K | D | -1.5278 | |
| 437 | K | D | -2.2608 | |
| 438 | R | D | 0.0000 | |
| 439 | Y | D | -0.9778 | |
| 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 | -1.0529 | |
| 449 | E | D | -0.8872 | |
| 450 | I | D | 0.0000 | |
| 451 | A | D | 0.0000 | |
| 452 | T | D | -1.1661 | |
| 453 | Q | D | -1.7125 | |
| 454 | K | D | -2.2329 | |
| 455 | E | D | -1.7651 | |
| 456 | I | D | -1.2263 | |
| 457 | P | D | -1.6516 | |
| 458 | E | D | -2.3615 | |
| 459 | E | D | -2.0989 | |
| 460 | L | D | 0.0000 | |
| 461 | A | D | -1.3254 | |
| 462 | H | D | -1.1692 | |
| 463 | L | D | 0.0000 | |
| 464 | A | D | -0.9344 | |
| 465 | D | D | -1.5765 | |
| 466 | L | D | -1.2023 | |
| 467 | K | D | -1.8483 | |
| 468 | F | D | -0.4309 | |
| 469 | V | D | 0.0000 | |
| 470 | T | D | -1.2597 | |
| 471 | R | D | -2.1002 |
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 | -0.6602 | 2.8614 | View | CSV | PDB |
| 4.5 | -0.7373 | 2.8134 | View | CSV | PDB |
| 5.0 | -0.8341 | 2.7579 | View | CSV | PDB |
| 5.5 | -0.9322 | 2.7036 | View | CSV | PDB |
| 6.0 | -1.0111 | 2.6591 | View | CSV | PDB |
| 6.5 | -1.0543 | 2.6312 | View | CSV | PDB |
| 7.0 | -1.0591 | 2.6281 | View | CSV | PDB |
| 7.5 | -1.0367 | 2.6281 | View | CSV | PDB |
| 8.0 | -0.9991 | 2.628 | View | CSV | PDB |
| 8.5 | -0.9516 | 2.628 | View | CSV | PDB |
| 9.0 | -0.8954 | 2.6279 | 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