| 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. (00:00:13)
[INFO] FoldX: Starting FoldX energy minimization (00:00:14)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (01:15:29)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2ed459c5a000212/tmp/folded.pdb (01:15:29)
[INFO] Main: Simulation completed successfully. (01:59:23)
|
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 | -1.4341 | |
| 2 | K | A | -2.4670 | |
| 3 | F | A | 0.0000 | |
| 4 | P | A | -2.0294 | |
| 5 | K | A | -2.7389 | |
| 6 | N | A | -2.3190 | |
| 7 | F | A | 0.0000 | |
| 8 | M | A | 0.0000 | |
| 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 | -1.2126 | |
| 22 | L | A | -0.4275 | |
| 23 | P | A | -0.9273 | |
| 24 | G | A | -1.0509 | |
| 25 | S | A | 0.0000 | |
| 26 | E | A | -2.5439 | |
| 27 | V | A | 0.0000 | |
| 28 | E | A | -1.9301 | |
| 29 | S | A | 0.0000 | |
| 30 | D | A | 0.0000 | |
| 31 | W | A | 0.0000 | |
| 32 | W | A | -0.3202 | |
| 33 | V | A | 0.1170 | |
| 34 | W | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | H | A | -0.6198 | |
| 37 | D | A | -0.9530 | |
| 38 | K | A | -1.6620 | |
| 39 | E | A | -0.7224 | |
| 40 | N | A | 0.0000 | |
| 41 | I | A | -0.2112 | |
| 42 | A | A | -0.2132 | |
| 43 | S | A | -0.5946 | |
| 44 | G | A | -0.6425 | |
| 45 | L | A | -0.1761 | |
| 46 | V | A | 0.0000 | |
| 47 | S | A | -0.6108 | |
| 48 | G | A | -1.0932 | |
| 49 | D | A | -1.1816 | |
| 50 | L | A | -0.5325 | |
| 51 | P | A | 0.0000 | |
| 52 | E | A | -1.9516 | |
| 53 | N | A | -1.8530 | |
| 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 | -0.6410 | |
| 60 | L | A | -0.6399 | |
| 61 | Y | A | -1.3606 | |
| 62 | K | A | -2.6797 | |
| 63 | Q | A | -2.3642 | |
| 64 | D | A | 0.0000 | |
| 65 | H | A | 0.0000 | |
| 66 | D | A | -2.6264 | |
| 67 | I | A | 0.0000 | |
| 68 | A | A | 0.0000 | |
| 69 | E | A | -1.9723 | |
| 70 | K | A | -2.2198 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | -1.6566 | |
| 73 | M | A | 0.0000 | |
| 74 | D | A | -0.7976 | |
| 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 | -1.3052 | |
| 88 | K | A | -1.6548 | |
| 89 | P | A | -0.8482 | |
| 90 | T | A | 0.0000 | |
| 91 | F | A | -0.8046 | |
| 92 | D | A | -1.9914 | |
| 93 | V | A | -1.6499 | |
| 94 | K | A | -2.4289 | |
| 95 | V | A | -2.1104 | |
| 96 | D | A | -3.0495 | |
| 97 | V | A | -1.8379 | |
| 98 | E | A | -2.3182 | |
| 99 | K | A | -2.1671 | |
| 100 | D | A | -2.6590 | |
| 101 | E | A | -3.3461 | |
| 102 | E | A | -3.1876 | |
| 103 | G | A | -2.3684 | |
| 104 | N | A | -1.3312 | |
| 105 | I | A | -0.4012 | |
| 106 | I | A | 0.9571 | |
| 107 | S | A | -0.7332 | |
| 108 | V | A | 0.0000 | |
| 109 | D | A | -2.9691 | |
| 110 | V | A | 0.0000 | |
| 111 | P | A | -2.0882 | |
| 112 | E | A | -2.5851 | |
| 113 | S | A | -2.1800 | |
| 114 | T | A | -2.5731 | |
| 115 | I | A | 0.0000 | |
| 116 | K | A | -3.8797 | |
| 117 | E | A | -4.0042 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | -3.6534 | |
| 120 | K | A | -3.1135 | |
| 121 | I | A | -2.0756 | |
| 122 | A | A | 0.0000 | |
| 123 | N | A | -1.9034 | |
| 124 | M | A | -1.8435 | |
| 125 | E | A | -2.5769 | |
| 126 | A | A | -1.7405 | |
| 127 | L | A | 0.0000 | |
| 128 | E | A | -3.1306 | |
| 129 | H | A | -2.1293 | |
| 130 | Y | A | 0.0000 | |
| 131 | R | A | -2.2250 | |
| 132 | K | A | -2.4436 | |
| 133 | I | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | S | A | -2.0733 | |
| 136 | D | A | -2.0190 | |
| 137 | W | A | 0.0000 | |
| 138 | K | A | -2.7374 | |
| 139 | E | A | -2.7334 | |
| 140 | R | A | -2.1991 | |
| 141 | G | A | -1.8163 | |
| 142 | K | A | -1.6123 | |
| 143 | T | A | -0.8153 | |
| 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 | -0.0748 | |
| 151 | W | A | 0.0736 | |
| 152 | P | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | L | A | -0.0722 | |
| 156 | W | A | -0.2278 | |
| 157 | I | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | D | A | -0.2059 | |
| 160 | P | A | 0.0000 | |
| 161 | I | A | 0.1144 | |
| 162 | A | A | -0.3193 | |
| 163 | V | A | 0.0000 | |
| 164 | R | A | -0.3109 | |
| 165 | K | A | -0.3512 | |
| 166 | L | A | -0.4826 | |
| 167 | G | A | 0.0000 | |
| 168 | P | A | -1.6743 | |
| 169 | D | A | -2.6801 | |
| 170 | R | A | -2.6024 | |
| 171 | A | A | -1.4494 | |
| 172 | P | A | -0.9564 | |
| 173 | A | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | W | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | D | A | -2.2036 | |
| 178 | E | A | -2.6481 | |
| 179 | K | A | -1.8279 | |
| 180 | T | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | V | A | -0.7968 | |
| 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 | -0.5429 | |
| 194 | H | A | -0.6890 | |
| 195 | L | A | 0.0000 | |
| 196 | D | A | -1.6003 | |
| 197 | D | A | -2.2424 | |
| 198 | L | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | D | A | -1.5782 | |
| 201 | M | A | -0.6955 | |
| 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 | -0.1728 | |
| 208 | P | A | 0.0000 | |
| 209 | N | A | -0.4958 | |
| 210 | V | A | -0.1509 | |
| 211 | V | A | 0.0000 | |
| 212 | Y | A | 0.0000 | |
| 213 | N | A | -1.0291 | |
| 214 | Q | A | -0.8376 | |
| 215 | G | A | 0.0000 | |
| 216 | Y | A | 0.0000 | |
| 217 | I | A | -0.6604 | |
| 218 | N | A | -0.9717 | |
| 219 | L | A | -0.6315 | |
| 220 | R | A | -1.3113 | |
| 221 | S | A | -0.6537 | |
| 222 | G | A | 0.0000 | |
| 223 | F | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | G | A | -0.3266 | |
| 227 | Y | A | -0.1508 | |
| 228 | L | A | 0.0000 | |
| 229 | S | A | -0.7746 | |
| 230 | F | A | -0.9719 | |
| 231 | E | A | -2.4904 | |
| 232 | A | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | E | A | -3.0374 | |
| 235 | K | A | -2.8475 | |
| 236 | A | A | 0.0000 | |
| 237 | K | A | -1.6553 | |
| 238 | F | A | -1.0045 | |
| 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 | -0.9546 | |
| 249 | D | A | -2.0407 | |
| 250 | A | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | K | A | -2.4300 | |
| 253 | E | A | -2.8135 | |
| 254 | Y | A | -1.6203 | |
| 255 | S | A | 0.0000 | |
| 256 | E | A | -2.5824 | |
| 257 | K | A | -1.6477 | |
| 258 | S | A | -0.9879 | |
| 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 | -0.1173 | |
| 265 | F | A | 0.0000 | |
| 266 | A | A | 0.1002 | |
| 267 | W | A | -0.3153 | |
| 268 | H | A | 0.0000 | |
| 269 | D | A | -0.3158 | |
| 270 | P | A | -1.2356 | |
| 271 | L | A | 0.0900 | |
| 272 | A | A | -1.5115 | |
| 273 | E | A | -3.4563 | |
| 274 | E | A | -3.7068 | |
| 275 | Y | A | -3.3575 | |
| 276 | K | A | -4.5439 | |
| 277 | D | A | -4.7286 | |
| 278 | E | A | -4.3976 | |
| 279 | V | A | 0.0000 | |
| 280 | E | A | -4.1628 | |
| 281 | E | A | -4.4915 | |
| 282 | I | A | -3.0082 | |
| 283 | R | A | 0.0000 | |
| 284 | K | A | -4.0009 | |
| 285 | K | A | -4.0006 | |
| 286 | D | A | -2.8575 | |
| 287 | Y | A | 0.0000 | |
| 288 | E | A | -3.0346 | |
| 289 | F | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | T | A | -1.5839 | |
| 292 | I | A | -0.8516 | |
| 293 | L | A | 0.0000 | |
| 294 | H | A | -1.5632 | |
| 295 | S | A | -1.2579 | |
| 296 | K | A | -2.1080 | |
| 297 | G | A | -1.5827 | |
| 298 | K | A | -1.2563 | |
| 299 | L | A | 0.0000 | |
| 300 | D | A | -0.7062 | |
| 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 | 0.3108 | |
| 308 | S | A | 0.0000 | |
| 309 | R | A | 0.3316 | |
| 310 | L | A | 0.8722 | |
| 311 | V | A | 0.0000 | |
| 312 | Y | A | 0.0000 | |
| 313 | G | A | -0.1072 | |
| 314 | A | A | -1.0739 | |
| 315 | K | A | -2.5608 | |
| 316 | D | A | -2.7768 | |
| 317 | G | A | -1.8247 | |
| 318 | H | A | -1.2202 | |
| 319 | L | A | -0.1501 | |
| 320 | V | A | 1.1609 | |
| 321 | P | A | 1.2090 | |
| 322 | L | A | 1.0778 | |
| 323 | P | A | -0.0403 | |
| 324 | G | A | -0.6560 | |
| 325 | Y | A | -0.1467 | |
| 326 | G | A | 0.0000 | |
| 327 | F | A | 1.1392 | |
| 328 | M | A | 0.5562 | |
| 329 | S | A | -0.9039 | |
| 330 | E | A | -2.6732 | |
| 331 | R | A | -2.8505 | |
| 332 | G | A | -1.6443 | |
| 333 | G | A | -1.2193 | |
| 334 | F | A | -1.0406 | |
| 335 | A | A | -1.3946 | |
| 336 | K | A | -1.9359 | |
| 337 | S | A | -1.2669 | |
| 338 | G | A | 0.0000 | |
| 339 | R | A | -1.0197 | |
| 340 | P | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | D | A | -1.9772 | |
| 344 | F | A | -0.8306 | |
| 345 | G | A | 0.0000 | |
| 346 | W | A | 0.0986 | |
| 347 | E | A | 0.0000 | |
| 348 | M | A | 0.0000 | |
| 349 | Y | A | 0.0284 | |
| 350 | P | A | 0.0000 | |
| 351 | E | A | -0.9859 | |
| 352 | G | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | E | A | -1.5227 | |
| 355 | N | A | -1.4221 | |
| 356 | L | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | K | A | -1.9898 | |
| 359 | Y | A | -1.0734 | |
| 360 | L | A | 0.0000 | |
| 361 | N | A | -2.1134 | |
| 362 | N | A | -2.0507 | |
| 363 | A | A | -1.3377 | |
| 364 | Y | A | 0.0000 | |
| 365 | E | A | -2.3915 | |
| 366 | L | A | -1.2252 | |
| 367 | P | A | -0.9427 | |
| 368 | M | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | E | A | -0.1795 | |
| 373 | N | A | 0.0000 | |
| 374 | G | A | 0.0000 | |
| 375 | M | A | 0.0000 | |
| 376 | A | A | 0.0000 | |
| 377 | D | A | -0.5470 | |
| 378 | A | A | -0.4670 | |
| 379 | A | A | -0.0523 | |
| 380 | D | A | 0.0000 | |
| 381 | R | A | -0.4223 | |
| 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 | -1.0622 | |
| 393 | A | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | Y | A | -1.1187 | |
| 396 | N | A | -1.5261 | |
| 397 | A | A | 0.0000 | |
| 398 | M | A | -2.0187 | |
| 399 | K | A | -2.8259 | |
| 400 | E | A | -3.2158 | |
| 401 | G | A | -2.6561 | |
| 402 | A | A | 0.0000 | |
| 403 | D | A | -1.8224 | |
| 404 | V | A | 0.0000 | |
| 405 | R | A | -1.4474 | |
| 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 | -0.6551 | |
| 418 | W | A | 0.0000 | |
| 419 | A | A | -0.5938 | |
| 420 | Q | A | -1.0505 | |
| 421 | G | A | 0.0000 | |
| 422 | F | A | -0.9821 | |
| 423 | R | A | -2.0664 | |
| 424 | M | A | 0.0000 | |
| 425 | R | A | 0.0000 | |
| 426 | F | A | 0.0000 | |
| 427 | G | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | Y | A | -0.3507 | |
| 431 | V | A | 0.0000 | |
| 432 | D | A | -1.5420 | |
| 433 | F | A | 0.0000 | |
| 434 | E | A | -2.4905 | |
| 435 | T | A | -1.7321 | |
| 436 | K | A | -1.7755 | |
| 437 | K | A | -2.3949 | |
| 438 | R | A | -1.3823 | |
| 439 | Y | A | 0.0000 | |
| 440 | L | A | -0.2695 | |
| 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 | -1.9398 | |
| 449 | E | A | -1.3814 | |
| 450 | I | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | T | A | -1.7084 | |
| 453 | Q | A | -2.1656 | |
| 454 | K | A | -2.3254 | |
| 455 | E | A | -2.3152 | |
| 456 | I | A | 0.0000 | |
| 457 | P | A | -2.0191 | |
| 458 | E | A | -2.5415 | |
| 459 | E | A | -2.2935 | |
| 460 | L | A | 0.0000 | |
| 461 | A | A | -1.5513 | |
| 462 | H | A | -1.4183 | |
| 463 | L | A | 0.0000 | |
| 464 | A | A | 0.0000 | |
| 465 | D | A | -2.1101 | |
| 466 | L | A | 0.0000 | |
| 467 | K | A | -2.1066 | |
| 468 | F | A | -0.6182 | |
| 469 | V | A | 0.0000 | |
| 470 | T | A | -1.3978 | |
| 471 | R | A | -1.9761 | |
| 1 | A | B | -1.5881 | |
| 2 | K | B | -2.5759 | |
| 3 | F | B | 0.0000 | |
| 4 | P | B | -2.2115 | |
| 5 | K | B | -2.9728 | |
| 6 | N | B | -2.5593 | |
| 7 | F | B | 0.0000 | |
| 8 | M | B | -0.9980 | |
| 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 | -0.3956 | |
| 23 | P | B | -0.6263 | |
| 24 | G | B | -0.9087 | |
| 25 | S | B | 0.0000 | |
| 26 | E | B | -2.1755 | |
| 27 | V | B | 0.0000 | |
| 28 | E | B | -1.9979 | |
| 29 | S | B | 0.0000 | |
| 30 | D | B | 0.0000 | |
| 31 | W | B | 0.0000 | |
| 32 | W | B | -0.3556 | |
| 33 | V | B | -0.0873 | |
| 34 | W | B | 0.0000 | |
| 35 | V | B | 0.0000 | |
| 36 | H | B | -0.4827 | |
| 37 | D | B | -0.9338 | |
| 38 | K | B | -1.6637 | |
| 39 | E | B | -0.8074 | |
| 40 | N | B | 0.0000 | |
| 41 | I | B | -0.3167 | |
| 42 | A | B | -0.2849 | |
| 43 | S | B | -0.6211 | |
| 44 | G | B | -0.5745 | |
| 45 | L | B | 0.0000 | |
| 46 | V | B | 0.0000 | |
| 47 | S | B | -0.5518 | |
| 48 | G | B | -0.6196 | |
| 49 | D | B | -0.8531 | |
| 50 | L | B | -0.0837 | |
| 51 | P | B | 0.0000 | |
| 52 | E | B | -1.1175 | |
| 53 | N | B | -0.9266 | |
| 54 | G | B | 0.0000 | |
| 55 | P | B | 0.0000 | |
| 56 | A | B | 0.0000 | |
| 57 | Y | B | 0.0000 | |
| 58 | W | B | -0.4300 | |
| 59 | H | B | -0.7453 | |
| 60 | L | B | -0.7131 | |
| 61 | Y | B | 0.0000 | |
| 62 | K | B | -2.7111 | |
| 63 | Q | B | -2.3250 | |
| 64 | D | B | 0.0000 | |
| 65 | H | B | 0.0000 | |
| 66 | D | B | -3.0076 | |
| 67 | I | B | 0.0000 | |
| 68 | A | B | 0.0000 | |
| 69 | E | B | -2.0366 | |
| 70 | K | B | -1.8727 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | -1.3181 | |
| 73 | M | B | 0.0000 | |
| 74 | D | B | -1.0355 | |
| 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 | -1.2041 | |
| 88 | K | B | -1.3835 | |
| 89 | P | B | -0.6596 | |
| 90 | T | B | 0.0000 | |
| 91 | F | B | -0.2218 | |
| 92 | D | B | -1.7087 | |
| 93 | V | B | 0.0000 | |
| 94 | K | B | -2.2900 | |
| 95 | V | B | -2.2967 | |
| 96 | D | B | -2.8885 | |
| 97 | V | B | -1.9169 | |
| 98 | E | B | -2.5898 | |
| 99 | K | B | -2.7185 | |
| 100 | D | B | -3.0981 | |
| 101 | E | B | -3.6009 | |
| 102 | E | B | -3.3611 | |
| 103 | G | B | -2.6223 | |
| 104 | N | B | -1.8257 | |
| 105 | I | B | 0.0000 | |
| 106 | I | B | 0.6434 | |
| 107 | S | B | -0.7301 | |
| 108 | V | B | -1.7593 | |
| 109 | D | B | -3.1130 | |
| 110 | V | B | 0.0000 | |
| 111 | P | B | -2.0453 | |
| 112 | E | B | -2.4163 | |
| 113 | S | B | -2.1755 | |
| 114 | T | B | 0.0000 | |
| 115 | I | B | 0.0000 | |
| 116 | K | B | -3.4868 | |
| 117 | E | B | -3.2901 | |
| 118 | L | B | 0.0000 | |
| 119 | E | B | -3.0951 | |
| 120 | K | B | -2.9058 | |
| 121 | I | B | -1.7148 | |
| 122 | A | B | -1.7594 | |
| 123 | N | B | -1.7300 | |
| 124 | M | B | -1.8578 | |
| 125 | E | B | -2.4715 | |
| 126 | A | B | 0.0000 | |
| 127 | L | B | 0.0000 | |
| 128 | E | B | -3.0805 | |
| 129 | H | B | -2.2920 | |
| 130 | Y | B | 0.0000 | |
| 131 | R | B | -2.0880 | |
| 132 | K | B | -2.7233 | |
| 133 | I | B | 0.0000 | |
| 134 | Y | B | 0.0000 | |
| 135 | S | B | -1.9103 | |
| 136 | D | B | -2.0079 | |
| 137 | W | B | 0.0000 | |
| 138 | K | B | -2.1132 | |
| 139 | E | B | -2.4259 | |
| 140 | R | B | -2.0021 | |
| 141 | G | B | -1.5593 | |
| 142 | K | B | -1.4420 | |
| 143 | T | B | -0.8155 | |
| 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 | 0.1737 | |
| 152 | P | B | 0.0000 | |
| 153 | L | B | 0.0000 | |
| 154 | P | B | 0.0000 | |
| 155 | L | B | -0.0888 | |
| 156 | W | B | -0.0806 | |
| 157 | I | B | 0.0000 | |
| 158 | H | B | 0.0000 | |
| 159 | D | B | -0.3326 | |
| 160 | P | B | 0.0000 | |
| 161 | I | B | -0.0914 | |
| 162 | A | B | 0.0000 | |
| 163 | V | B | 0.0000 | |
| 164 | R | B | -0.5518 | |
| 165 | K | B | -0.8270 | |
| 166 | L | B | -0.5268 | |
| 167 | G | B | 0.0000 | |
| 168 | P | B | -1.4829 | |
| 169 | D | B | -2.3905 | |
| 170 | R | B | -1.8743 | |
| 171 | A | B | -1.3151 | |
| 172 | P | B | -0.7795 | |
| 173 | A | B | 0.0000 | |
| 174 | G | B | 0.0000 | |
| 175 | W | B | 0.0000 | |
| 176 | L | B | 0.0000 | |
| 177 | D | B | -2.3519 | |
| 178 | E | B | -2.9078 | |
| 179 | K | B | -2.4409 | |
| 180 | T | B | -1.3087 | |
| 181 | V | B | 0.0000 | |
| 182 | V | B | -0.5973 | |
| 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 | -0.4438 | |
| 194 | H | B | -0.5538 | |
| 195 | L | B | 0.0000 | |
| 196 | D | B | -1.8489 | |
| 197 | D | B | -2.2667 | |
| 198 | L | B | 0.0000 | |
| 199 | V | B | 0.0000 | |
| 200 | D | B | -1.5782 | |
| 201 | M | B | -0.7312 | |
| 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 | -0.1258 | |
| 208 | P | B | 0.0000 | |
| 209 | N | B | -0.6000 | |
| 210 | V | B | 0.0137 | |
| 211 | V | B | 0.1017 | |
| 212 | Y | B | 0.0000 | |
| 213 | N | B | -0.6368 | |
| 214 | Q | B | -0.5163 | |
| 215 | G | B | 0.0000 | |
| 216 | Y | B | 0.0000 | |
| 217 | I | B | 0.0520 | |
| 218 | N | B | -0.5961 | |
| 219 | L | B | -1.0216 | |
| 220 | R | B | -2.0570 | |
| 221 | S | B | -0.9912 | |
| 222 | G | B | 0.0000 | |
| 223 | F | B | -0.1385 | |
| 224 | P | B | 0.0236 | |
| 225 | P | B | 0.0000 | |
| 226 | G | B | -0.3133 | |
| 227 | Y | B | -0.1088 | |
| 228 | L | B | 0.0000 | |
| 229 | S | B | 0.0000 | |
| 230 | F | B | -1.1519 | |
| 231 | E | B | -2.4993 | |
| 232 | A | B | 0.0000 | |
| 233 | A | B | 0.0000 | |
| 234 | E | B | -2.8054 | |
| 235 | K | B | -2.4537 | |
| 236 | A | B | 0.0000 | |
| 237 | K | B | -1.2959 | |
| 238 | F | B | -0.7515 | |
| 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 | -0.0589 | |
| 246 | G | B | 0.0000 | |
| 247 | A | B | 0.0000 | |
| 248 | Y | B | -0.8124 | |
| 249 | D | B | -2.0661 | |
| 250 | A | B | 0.0000 | |
| 251 | I | B | 0.0000 | |
| 252 | K | B | -2.2976 | |
| 253 | E | B | -2.8522 | |
| 254 | Y | B | -1.5881 | |
| 255 | S | B | 0.0000 | |
| 256 | E | B | -2.9334 | |
| 257 | K | B | -2.3721 | |
| 258 | S | B | -1.1581 | |
| 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 | -0.1464 | |
| 265 | F | B | 0.0000 | |
| 266 | A | B | -0.0537 | |
| 267 | W | B | 0.0000 | |
| 268 | H | B | 0.0000 | |
| 269 | D | B | -0.4863 | |
| 270 | P | B | -1.5242 | |
| 271 | L | B | 0.0030 | |
| 272 | A | B | -1.2944 | |
| 273 | E | B | -3.4188 | |
| 274 | E | B | -3.6660 | |
| 275 | Y | B | -3.0256 | |
| 276 | K | B | -4.4747 | |
| 277 | D | B | -4.6735 | |
| 278 | E | B | -4.3055 | |
| 279 | V | B | 0.0000 | |
| 280 | E | B | -4.1660 | |
| 281 | E | B | -4.5174 | |
| 282 | I | B | 0.0000 | |
| 283 | R | B | -3.2655 | |
| 284 | K | B | -4.0791 | |
| 285 | K | B | -4.1176 | |
| 286 | D | B | -3.0645 | |
| 287 | Y | B | 0.0000 | |
| 288 | E | B | -2.6564 | |
| 289 | F | B | 0.0000 | |
| 290 | V | B | 0.0000 | |
| 291 | T | B | -1.1848 | |
| 292 | I | B | -0.2820 | |
| 293 | L | B | 0.0000 | |
| 294 | H | B | -1.3685 | |
| 295 | S | B | -1.1307 | |
| 296 | K | B | -1.9846 | |
| 297 | G | B | -1.5197 | |
| 298 | K | B | -1.2015 | |
| 299 | L | B | 0.0000 | |
| 300 | D | B | -0.8942 | |
| 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 | 0.2560 | |
| 308 | S | B | 0.0000 | |
| 309 | R | B | -0.0003 | |
| 310 | L | B | 0.4953 | |
| 311 | V | B | 0.0000 | |
| 312 | Y | B | 0.0000 | |
| 313 | G | B | 0.0000 | |
| 314 | A | B | -1.1969 | |
| 315 | K | B | -2.7412 | |
| 316 | D | B | -3.0838 | |
| 317 | G | B | -2.0807 | |
| 318 | H | B | -1.8823 | |
| 319 | L | B | -0.9638 | |
| 320 | V | B | -0.3284 | |
| 321 | P | B | 0.5367 | |
| 322 | L | B | 0.4372 | |
| 323 | P | B | -0.3189 | |
| 324 | G | B | -0.7934 | |
| 325 | Y | B | -0.1903 | |
| 326 | G | B | 0.0000 | |
| 327 | F | B | 0.7003 | |
| 328 | M | B | 0.0817 | |
| 329 | S | B | 0.0000 | |
| 330 | E | B | -2.6546 | |
| 331 | R | B | -2.9052 | |
| 332 | G | B | -2.0362 | |
| 333 | G | B | -1.2841 | |
| 334 | F | B | -0.3752 | |
| 335 | A | B | 0.0000 | |
| 336 | K | B | -1.8272 | |
| 337 | S | B | -0.9672 | |
| 338 | G | B | -1.0467 | |
| 339 | R | B | -1.0056 | |
| 340 | P | B | 0.0000 | |
| 341 | A | B | 0.0000 | |
| 342 | S | B | 0.0000 | |
| 343 | D | B | -2.5173 | |
| 344 | F | B | -1.4630 | |
| 345 | G | B | 0.0000 | |
| 346 | W | B | -0.0593 | |
| 347 | E | B | 0.0000 | |
| 348 | M | B | 0.0000 | |
| 349 | Y | B | -0.3831 | |
| 350 | P | B | -0.9745 | |
| 351 | E | B | -1.8565 | |
| 352 | G | B | 0.0000 | |
| 353 | L | B | 0.0000 | |
| 354 | E | B | -1.4874 | |
| 355 | N | B | -1.3259 | |
| 356 | L | B | 0.0000 | |
| 357 | L | B | 0.0000 | |
| 358 | K | B | -1.7383 | |
| 359 | Y | B | -0.8822 | |
| 360 | L | B | 0.0000 | |
| 361 | N | B | -2.1305 | |
| 362 | N | B | -1.9772 | |
| 363 | A | B | -1.3263 | |
| 364 | Y | B | 0.0000 | |
| 365 | E | B | -2.5271 | |
| 366 | L | B | 0.0000 | |
| 367 | P | B | -1.1926 | |
| 368 | M | B | 0.0000 | |
| 369 | I | B | 0.0000 | |
| 370 | I | B | 0.0000 | |
| 371 | T | B | 0.0000 | |
| 372 | E | B | -0.2004 | |
| 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 | -0.5592 | |
| 379 | A | B | -0.0607 | |
| 380 | D | B | 0.0000 | |
| 381 | R | B | -0.3652 | |
| 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 | -1.1410 | |
| 393 | A | B | 0.0000 | |
| 394 | V | B | 0.0000 | |
| 395 | Y | B | -1.0348 | |
| 396 | N | B | -1.7141 | |
| 397 | A | B | 0.0000 | |
| 398 | M | B | -1.9329 | |
| 399 | K | B | -2.7719 | |
| 400 | E | B | -3.0731 | |
| 401 | G | B | -2.5285 | |
| 402 | A | B | 0.0000 | |
| 403 | D | B | -2.0542 | |
| 404 | V | B | 0.0000 | |
| 405 | R | B | -1.7348 | |
| 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 | -0.5904 | |
| 415 | N | B | 0.0000 | |
| 416 | Y | B | 0.0000 | |
| 417 | E | B | -0.8484 | |
| 418 | W | B | 0.0000 | |
| 419 | A | B | -0.5204 | |
| 420 | Q | B | -1.0075 | |
| 421 | G | B | 0.0000 | |
| 422 | F | B | -1.1703 | |
| 423 | R | B | -2.3332 | |
| 424 | M | B | 0.0000 | |
| 425 | R | B | -1.5020 | |
| 426 | F | B | 0.0000 | |
| 427 | G | B | 0.0000 | |
| 428 | L | B | 0.0000 | |
| 429 | V | B | 0.0000 | |
| 430 | Y | B | -0.0222 | |
| 431 | V | B | 0.0000 | |
| 432 | D | B | -0.7501 | |
| 433 | F | B | -0.2970 | |
| 434 | E | B | -1.6066 | |
| 435 | T | B | -1.1028 | |
| 436 | K | B | 0.0000 | |
| 437 | K | B | -1.4338 | |
| 438 | R | B | 0.0000 | |
| 439 | Y | B | -0.6561 | |
| 440 | L | B | -0.2246 | |
| 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 | -1.0627 | |
| 449 | E | B | -0.9737 | |
| 450 | I | B | 0.0000 | |
| 451 | A | B | 0.0000 | |
| 452 | T | B | -1.3315 | |
| 453 | Q | B | -2.3289 | |
| 454 | K | B | -2.2571 | |
| 455 | E | B | -2.3282 | |
| 456 | I | B | -1.5403 | |
| 457 | P | B | -1.6437 | |
| 458 | E | B | -2.4724 | |
| 459 | E | B | -1.8885 | |
| 460 | L | B | 0.0000 | |
| 461 | A | B | -0.9907 | |
| 462 | H | B | -0.8192 | |
| 463 | L | B | 0.0000 | |
| 464 | A | B | -0.6973 | |
| 465 | D | B | -1.1179 | |
| 466 | L | B | -0.9448 | |
| 467 | K | B | -1.9107 | |
| 468 | F | B | -0.9047 | |
| 469 | V | B | 0.0000 | |
| 470 | T | B | -1.2064 | |
| 471 | R | B | -1.8913 | |
| 1 | A | C | -1.1263 | |
| 2 | K | C | -2.3541 | |
| 3 | F | C | 0.0000 | |
| 4 | P | C | -2.1931 | |
| 5 | K | C | -2.7328 | |
| 6 | N | C | -2.4665 | |
| 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 | -0.9810 | |
| 22 | L | C | -0.4320 | |
| 23 | P | C | -0.8442 | |
| 24 | G | C | -1.1511 | |
| 25 | S | C | 0.0000 | |
| 26 | E | C | -2.1550 | |
| 27 | V | C | 0.0000 | |
| 28 | E | C | -2.0113 | |
| 29 | S | C | 0.0000 | |
| 30 | D | C | 0.0000 | |
| 31 | W | C | 0.0000 | |
| 32 | W | C | -0.3484 | |
| 33 | V | C | -0.1792 | |
| 34 | W | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | H | C | -0.2126 | |
| 37 | D | C | -0.6889 | |
| 38 | K | C | -1.5058 | |
| 39 | E | C | -0.8589 | |
| 40 | N | C | 0.0000 | |
| 41 | I | C | 0.8740 | |
| 42 | A | C | 0.1649 | |
| 43 | S | C | 0.1277 | |
| 44 | G | C | -0.0286 | |
| 45 | L | C | 0.0000 | |
| 46 | V | C | 0.2493 | |
| 47 | S | C | -0.2345 | |
| 48 | G | C | -0.1248 | |
| 49 | D | C | -0.5964 | |
| 50 | L | C | 0.2373 | |
| 51 | P | C | 0.0000 | |
| 52 | E | C | -1.0938 | |
| 53 | N | C | -1.0620 | |
| 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 | -0.8846 | |
| 60 | L | C | -0.6853 | |
| 61 | Y | C | -1.3406 | |
| 62 | K | C | -2.6084 | |
| 63 | Q | C | -2.1535 | |
| 64 | D | C | 0.0000 | |
| 65 | H | C | 0.0000 | |
| 66 | D | C | -2.5759 | |
| 67 | I | C | -1.4670 | |
| 68 | A | C | 0.0000 | |
| 69 | E | C | -1.8649 | |
| 70 | K | C | -1.5532 | |
| 71 | L | C | 0.0000 | |
| 72 | G | C | -1.0274 | |
| 73 | M | C | 0.0000 | |
| 74 | D | C | -0.9444 | |
| 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 | 0.0000 | |
| 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 | -1.3516 | |
| 88 | K | C | -1.6547 | |
| 89 | P | C | -0.8317 | |
| 90 | T | C | 0.0000 | |
| 91 | F | C | -0.3636 | |
| 92 | D | C | -1.6724 | |
| 93 | V | C | 0.0000 | |
| 94 | K | C | -2.3385 | |
| 95 | V | C | -1.5503 | |
| 96 | D | C | -2.4994 | |
| 97 | V | C | -1.0845 | |
| 98 | E | C | -1.9258 | |
| 99 | K | C | -1.6718 | |
| 100 | D | C | -2.4685 | |
| 101 | E | C | -3.2682 | |
| 102 | E | C | -3.1440 | |
| 103 | G | C | -2.1807 | |
| 104 | N | C | -1.1714 | |
| 105 | I | C | -0.1245 | |
| 106 | I | C | 1.1799 | |
| 107 | S | C | -0.7317 | |
| 108 | V | C | -1.1879 | |
| 109 | D | C | -2.9324 | |
| 110 | V | C | 0.0000 | |
| 111 | P | C | -1.9144 | |
| 112 | E | C | -2.1150 | |
| 113 | S | C | -1.7539 | |
| 114 | T | C | 0.0000 | |
| 115 | I | C | 0.0000 | |
| 116 | K | C | -2.9313 | |
| 117 | E | C | -2.7143 | |
| 118 | L | C | 0.0000 | |
| 119 | E | C | -2.1990 | |
| 120 | K | C | -2.4315 | |
| 121 | I | C | -1.5990 | |
| 122 | A | C | -1.5458 | |
| 123 | N | C | -1.5228 | |
| 124 | M | C | -1.5386 | |
| 125 | E | C | -2.4056 | |
| 126 | A | C | 0.0000 | |
| 127 | L | C | 0.0000 | |
| 128 | E | C | -2.8378 | |
| 129 | H | C | -2.2099 | |
| 130 | Y | C | 0.0000 | |
| 131 | R | C | -2.2931 | |
| 132 | K | C | -2.6317 | |
| 133 | I | C | 0.0000 | |
| 134 | Y | C | 0.0000 | |
| 135 | S | C | -2.2833 | |
| 136 | D | C | -2.3009 | |
| 137 | W | C | 0.0000 | |
| 138 | K | C | -3.3756 | |
| 139 | E | C | -3.0225 | |
| 140 | R | C | -2.2695 | |
| 141 | G | C | -2.0735 | |
| 142 | K | C | -1.9173 | |
| 143 | T | C | -1.2608 | |
| 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 | 0.1698 | |
| 152 | P | C | 0.0000 | |
| 153 | L | C | 0.0000 | |
| 154 | P | C | 0.0000 | |
| 155 | L | C | -0.3289 | |
| 156 | W | C | -0.2235 | |
| 157 | I | C | 0.0000 | |
| 158 | H | C | 0.0000 | |
| 159 | D | C | -0.3979 | |
| 160 | P | C | 0.0000 | |
| 161 | I | C | -0.4035 | |
| 162 | A | C | -1.0086 | |
| 163 | V | C | 0.0000 | |
| 164 | R | C | -0.8061 | |
| 165 | K | C | -1.7292 | |
| 166 | L | C | -1.1650 | |
| 167 | G | C | -1.3519 | |
| 168 | P | C | -1.6994 | |
| 169 | D | C | -2.7294 | |
| 170 | R | C | -2.8745 | |
| 171 | A | C | -1.6460 | |
| 172 | P | C | -0.9570 | |
| 173 | A | C | -0.9352 | |
| 174 | G | C | 0.0000 | |
| 175 | W | C | 0.0000 | |
| 176 | L | C | -1.7033 | |
| 177 | D | C | -2.4070 | |
| 178 | E | C | -2.8361 | |
| 179 | K | C | -2.0431 | |
| 180 | T | C | 0.0000 | |
| 181 | V | C | 0.0000 | |
| 182 | V | C | 0.0000 | |
| 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 | -0.4504 | |
| 194 | H | C | -0.6522 | |
| 195 | L | C | 0.0000 | |
| 196 | D | C | -1.8604 | |
| 197 | D | C | -2.4519 | |
| 198 | L | C | 0.0000 | |
| 199 | V | C | 0.0000 | |
| 200 | D | C | -2.2311 | |
| 201 | M | C | -1.0519 | |
| 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 | -0.2198 | |
| 208 | P | C | 0.0000 | |
| 209 | N | C | -0.6781 | |
| 210 | V | C | -0.0632 | |
| 211 | V | C | 0.0385 | |
| 212 | Y | C | 0.0000 | |
| 213 | N | C | -0.4012 | |
| 214 | Q | C | -0.6760 | |
| 215 | G | C | 0.0000 | |
| 216 | Y | C | 0.0000 | |
| 217 | I | C | -0.1486 | |
| 218 | N | C | -1.0963 | |
| 219 | L | C | 0.0000 | |
| 220 | R | C | -2.0997 | |
| 221 | S | C | -1.0541 | |
| 222 | G | C | 0.0000 | |
| 223 | F | C | -0.2144 | |
| 224 | P | C | 0.0651 | |
| 225 | P | C | 0.0000 | |
| 226 | G | C | -0.3447 | |
| 227 | Y | C | 0.0895 | |
| 228 | L | C | 0.0000 | |
| 229 | S | C | 0.0000 | |
| 230 | F | C | -1.0073 | |
| 231 | E | C | -2.3202 | |
| 232 | A | C | 0.0000 | |
| 233 | A | C | 0.0000 | |
| 234 | E | C | -2.7025 | |
| 235 | K | C | -2.4722 | |
| 236 | A | C | 0.0000 | |
| 237 | K | C | -1.1426 | |
| 238 | F | C | -0.5707 | |
| 239 | N | C | -1.0951 | |
| 240 | L | C | 0.0000 | |
| 241 | I | C | 0.3374 | |
| 242 | Q | C | 0.0000 | |
| 243 | A | C | 0.0000 | |
| 244 | H | C | 0.0000 | |
| 245 | I | C | -0.1252 | |
| 246 | G | C | 0.0000 | |
| 247 | A | C | 0.0000 | |
| 248 | Y | C | 0.0000 | |
| 249 | D | C | -2.9734 | |
| 250 | A | C | 0.0000 | |
| 251 | I | C | 0.0000 | |
| 252 | K | C | -3.6675 | |
| 253 | E | C | -3.5498 | |
| 254 | Y | C | -1.9799 | |
| 255 | S | C | -2.4048 | |
| 256 | E | C | -2.9700 | |
| 257 | K | C | -2.1132 | |
| 258 | S | C | -1.2882 | |
| 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 | -0.2237 | |
| 265 | F | C | 0.0000 | |
| 266 | A | C | 0.1064 | |
| 267 | W | C | -0.0635 | |
| 268 | H | C | 0.0000 | |
| 269 | D | C | -0.3579 | |
| 270 | P | C | -1.1029 | |
| 271 | L | C | 0.3395 | |
| 272 | A | C | -1.1778 | |
| 273 | E | C | -3.4319 | |
| 274 | E | C | -3.4932 | |
| 275 | Y | C | 0.0000 | |
| 276 | K | C | -4.2799 | |
| 277 | D | C | -4.5742 | |
| 278 | E | C | -4.3768 | |
| 279 | V | C | 0.0000 | |
| 280 | E | C | -3.7779 | |
| 281 | E | C | -4.3030 | |
| 282 | I | C | -3.0836 | |
| 283 | R | C | 0.0000 | |
| 284 | K | C | -3.9098 | |
| 285 | K | C | -4.2822 | |
| 286 | D | C | -3.7166 | |
| 287 | Y | C | 0.0000 | |
| 288 | E | C | -3.1681 | |
| 289 | F | C | 0.0000 | |
| 290 | V | C | 0.0000 | |
| 291 | T | C | -1.3604 | |
| 292 | I | C | -0.3823 | |
| 293 | L | C | 0.0000 | |
| 294 | H | C | -1.1776 | |
| 295 | S | C | -1.1329 | |
| 296 | K | C | -1.9951 | |
| 297 | G | C | -1.5212 | |
| 298 | K | C | -1.3465 | |
| 299 | L | C | 0.0000 | |
| 300 | D | C | -0.6846 | |
| 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 | 0.4954 | |
| 308 | S | C | 0.0000 | |
| 309 | R | C | 0.0000 | |
| 310 | L | C | 0.7657 | |
| 311 | V | C | 0.0000 | |
| 312 | Y | C | 0.0000 | |
| 313 | G | C | 0.0000 | |
| 314 | A | C | -1.5620 | |
| 315 | K | C | -2.7928 | |
| 316 | D | C | -3.1021 | |
| 317 | G | C | -2.3717 | |
| 318 | H | C | -2.2400 | |
| 319 | L | C | -1.1491 | |
| 320 | V | C | -0.3508 | |
| 321 | P | C | 0.5440 | |
| 322 | L | C | 0.6252 | |
| 323 | P | C | -0.3481 | |
| 324 | G | C | -0.8481 | |
| 325 | Y | C | 0.0000 | |
| 326 | G | C | 0.0000 | |
| 327 | F | C | 1.0423 | |
| 328 | M | C | 0.2211 | |
| 329 | S | C | 0.0000 | |
| 330 | E | C | -2.6839 | |
| 331 | R | C | -2.6115 | |
| 332 | G | C | -1.6010 | |
| 333 | G | C | -1.4623 | |
| 334 | F | C | -1.1179 | |
| 335 | A | C | 0.0000 | |
| 336 | K | C | -2.2141 | |
| 337 | S | C | -1.2560 | |
| 338 | G | C | -1.3362 | |
| 339 | R | C | -0.8073 | |
| 340 | P | C | 0.0000 | |
| 341 | A | C | 0.0000 | |
| 342 | S | C | 0.0000 | |
| 343 | D | C | -1.4519 | |
| 344 | F | C | -0.6766 | |
| 345 | G | C | 0.0000 | |
| 346 | W | C | 0.2509 | |
| 347 | E | C | 0.0000 | |
| 348 | M | C | 0.0000 | |
| 349 | Y | C | 0.0803 | |
| 350 | P | C | 0.0000 | |
| 351 | E | C | -0.9598 | |
| 352 | G | C | 0.0000 | |
| 353 | L | C | 0.0000 | |
| 354 | E | C | -1.7123 | |
| 355 | N | C | -1.6248 | |
| 356 | L | C | 0.0000 | |
| 357 | L | C | 0.0000 | |
| 358 | K | C | -2.1765 | |
| 359 | Y | C | -1.2743 | |
| 360 | L | C | 0.0000 | |
| 361 | N | C | -2.0394 | |
| 362 | N | C | -2.1667 | |
| 363 | A | C | -1.2564 | |
| 364 | Y | C | 0.0000 | |
| 365 | E | C | -2.3539 | |
| 366 | L | C | -1.2602 | |
| 367 | P | C | -1.1214 | |
| 368 | M | C | 0.0000 | |
| 369 | I | C | 0.0000 | |
| 370 | I | C | 0.0000 | |
| 371 | T | C | 0.0000 | |
| 372 | E | C | -0.1469 | |
| 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 | -0.3463 | |
| 379 | A | C | -0.1124 | |
| 380 | D | C | 0.0000 | |
| 381 | R | C | -0.4137 | |
| 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 | -1.0957 | |
| 393 | A | C | 0.0000 | |
| 394 | V | C | 0.0000 | |
| 395 | Y | C | -1.0823 | |
| 396 | N | C | -1.7002 | |
| 397 | A | C | 0.0000 | |
| 398 | M | C | -2.0754 | |
| 399 | K | C | -2.8211 | |
| 400 | E | C | -3.1962 | |
| 401 | G | C | -2.4461 | |
| 402 | A | C | 0.0000 | |
| 403 | D | C | -2.0376 | |
| 404 | V | C | 0.0000 | |
| 405 | R | C | -2.0066 | |
| 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 | -0.6810 | |
| 418 | W | C | 0.0000 | |
| 419 | A | C | -0.4775 | |
| 420 | Q | C | -0.8584 | |
| 421 | G | C | 0.0000 | |
| 422 | F | C | -0.9234 | |
| 423 | R | C | -1.9601 | |
| 424 | M | C | 0.0000 | |
| 425 | R | C | -0.6831 | |
| 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 | -1.2597 | |
| 433 | F | C | -1.3035 | |
| 434 | E | C | -2.1526 | |
| 435 | T | C | -1.4680 | |
| 436 | K | C | -1.2717 | |
| 437 | K | C | -1.6393 | |
| 438 | R | C | -1.2640 | |
| 439 | Y | C | 0.0000 | |
| 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 | -1.1630 | |
| 449 | E | C | -1.0234 | |
| 450 | I | C | 0.0000 | |
| 451 | A | C | 0.0000 | |
| 452 | T | C | -1.1383 | |
| 453 | Q | C | -1.4947 | |
| 454 | K | C | -1.8951 | |
| 455 | E | C | -1.7718 | |
| 456 | I | C | -1.2766 | |
| 457 | P | C | 0.0000 | |
| 458 | E | C | -2.2191 | |
| 459 | E | C | -1.8239 | |
| 460 | L | C | 0.0000 | |
| 461 | A | C | -1.5157 | |
| 462 | H | C | -1.7400 | |
| 463 | L | C | 0.0000 | |
| 464 | A | C | 0.0000 | |
| 465 | D | C | -2.3258 | |
| 466 | L | C | -1.5353 | |
| 467 | K | C | -2.1509 | |
| 468 | F | C | -0.8817 | |
| 469 | V | C | -0.7687 | |
| 470 | T | C | -1.3085 | |
| 471 | R | C | -2.1507 | |
| 1 | A | D | -1.0817 | |
| 2 | K | D | -2.3798 | |
| 3 | F | D | 0.0000 | |
| 4 | P | D | -2.0028 | |
| 5 | K | D | -2.7432 | |
| 6 | N | D | -2.4253 | |
| 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 | -0.1638 | |
| 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 | -1.2763 | |
| 22 | L | D | -0.6970 | |
| 23 | P | D | -0.9775 | |
| 24 | G | D | -1.0286 | |
| 25 | S | D | 0.0000 | |
| 26 | E | D | -2.4620 | |
| 27 | V | D | -1.5404 | |
| 28 | E | D | -1.9160 | |
| 29 | S | D | 0.0000 | |
| 30 | D | D | 0.0000 | |
| 31 | W | D | 0.0000 | |
| 32 | W | D | -0.2659 | |
| 33 | V | D | 0.1191 | |
| 34 | W | D | 0.0000 | |
| 35 | V | D | 0.0000 | |
| 36 | H | D | -0.5559 | |
| 37 | D | D | -0.9340 | |
| 38 | K | D | -1.7675 | |
| 39 | E | D | -1.0391 | |
| 40 | N | D | 0.0000 | |
| 41 | I | D | -0.3290 | |
| 42 | A | D | -0.3005 | |
| 43 | S | D | 0.0000 | |
| 44 | G | D | -0.5783 | |
| 45 | L | D | 0.0000 | |
| 46 | V | D | 0.0000 | |
| 47 | S | D | -0.4225 | |
| 48 | G | D | -0.3869 | |
| 49 | D | D | -0.7416 | |
| 50 | L | D | -0.2794 | |
| 51 | P | D | 0.0000 | |
| 52 | E | D | -2.0680 | |
| 53 | N | D | -1.8469 | |
| 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 | -0.6957 | |
| 60 | L | D | -0.7788 | |
| 61 | Y | D | 0.0000 | |
| 62 | K | D | -2.4082 | |
| 63 | Q | D | -2.1640 | |
| 64 | D | D | 0.0000 | |
| 65 | H | D | 0.0000 | |
| 66 | D | D | -2.1534 | |
| 67 | I | D | 0.0000 | |
| 68 | A | D | 0.0000 | |
| 69 | E | D | -2.1531 | |
| 70 | K | D | -2.1877 | |
| 71 | L | D | 0.0000 | |
| 72 | G | D | -1.3607 | |
| 73 | M | D | 0.0000 | |
| 74 | D | D | -0.9781 | |
| 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 | -0.4195 | |
| 82 | W | D | 0.0000 | |
| 83 | A | D | 0.0000 | |
| 84 | R | D | 0.0000 | |
| 85 | I | D | 0.0000 | |
| 86 | F | D | 0.0000 | |
| 87 | P | D | -1.0345 | |
| 88 | K | D | -1.0245 | |
| 89 | P | D | -0.5790 | |
| 90 | T | D | 0.0000 | |
| 91 | F | D | -0.7937 | |
| 92 | D | D | -2.0690 | |
| 93 | V | D | 0.0000 | |
| 94 | K | D | -2.5788 | |
| 95 | V | D | 0.0000 | |
| 96 | D | D | -2.9761 | |
| 97 | V | D | -1.9482 | |
| 98 | E | D | -2.4258 | |
| 99 | K | D | -2.5170 | |
| 100 | D | D | -2.9372 | |
| 101 | E | D | -3.4359 | |
| 102 | E | D | -3.2678 | |
| 103 | G | D | -2.5609 | |
| 104 | N | D | -1.4809 | |
| 105 | I | D | -0.4144 | |
| 106 | I | D | 0.7707 | |
| 107 | S | D | -0.9208 | |
| 108 | V | D | -1.5660 | |
| 109 | D | D | -3.1197 | |
| 110 | V | D | 0.0000 | |
| 111 | P | D | -2.3485 | |
| 112 | E | D | -2.6715 | |
| 113 | S | D | -2.2262 | |
| 114 | T | D | -2.7057 | |
| 115 | I | D | 0.0000 | |
| 116 | K | D | -3.5644 | |
| 117 | E | D | -3.9042 | |
| 118 | L | D | 0.0000 | |
| 119 | E | D | -2.3996 | |
| 120 | K | D | -2.7231 | |
| 121 | I | D | -1.5481 | |
| 122 | A | D | 0.0000 | |
| 123 | N | D | -1.6239 | |
| 124 | M | D | -1.7178 | |
| 125 | E | D | -2.6023 | |
| 126 | A | D | -1.8844 | |
| 127 | L | D | 0.0000 | |
| 128 | E | D | -3.3404 | |
| 129 | H | D | -2.4823 | |
| 130 | Y | D | 0.0000 | |
| 131 | R | D | -3.0109 | |
| 132 | K | D | -3.0893 | |
| 133 | I | D | 0.0000 | |
| 134 | Y | D | 0.0000 | |
| 135 | S | D | -2.5173 | |
| 136 | D | D | -2.4640 | |
| 137 | W | D | 0.0000 | |
| 138 | K | D | -2.3875 | |
| 139 | E | D | -2.8066 | |
| 140 | R | D | -2.0245 | |
| 141 | G | D | -1.7419 | |
| 142 | K | D | -1.6519 | |
| 143 | T | D | -0.9335 | |
| 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 | -0.1133 | |
| 151 | W | D | 0.1099 | |
| 152 | P | D | 0.0000 | |
| 153 | L | D | 0.0000 | |
| 154 | P | D | 0.0000 | |
| 155 | L | D | -0.0828 | |
| 156 | W | D | 0.0703 | |
| 157 | I | D | 0.0000 | |
| 158 | H | D | 0.0000 | |
| 159 | D | D | -0.1573 | |
| 160 | P | D | 0.0000 | |
| 161 | I | D | 0.2250 | |
| 162 | A | D | -0.4960 | |
| 163 | V | D | 0.0000 | |
| 164 | R | D | -0.1038 | |
| 165 | K | D | -0.2854 | |
| 166 | L | D | -0.3789 | |
| 167 | G | D | -1.0793 | |
| 168 | P | D | -1.6052 | |
| 169 | D | D | -2.6862 | |
| 170 | R | D | -2.5951 | |
| 171 | A | D | -1.5276 | |
| 172 | P | D | -0.9054 | |
| 173 | A | D | 0.0000 | |
| 174 | G | D | 0.0000 | |
| 175 | W | D | 0.0000 | |
| 176 | L | D | 0.0000 | |
| 177 | D | D | -2.4106 | |
| 178 | E | D | -2.9623 | |
| 179 | K | D | -2.6278 | |
| 180 | T | D | 0.0000 | |
| 181 | V | D | 0.0000 | |
| 182 | V | D | -1.0938 | |
| 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 | -0.1466 | |
| 194 | H | D | -0.4463 | |
| 195 | L | D | 0.0000 | |
| 196 | D | D | -1.6452 | |
| 197 | D | D | -2.3102 | |
| 198 | L | D | 0.0000 | |
| 199 | V | D | 0.0000 | |
| 200 | D | D | -1.5484 | |
| 201 | M | D | -0.7111 | |
| 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 | -0.1579 | |
| 208 | P | D | 0.0000 | |
| 209 | N | D | -0.5020 | |
| 210 | V | D | -0.0288 | |
| 211 | V | D | 0.0041 | |
| 212 | Y | D | 0.0000 | |
| 213 | N | D | -0.5671 | |
| 214 | Q | D | -0.4007 | |
| 215 | G | D | 0.0000 | |
| 216 | Y | D | 0.0000 | |
| 217 | I | D | -0.1489 | |
| 218 | N | D | -0.3188 | |
| 219 | L | D | -0.1768 | |
| 220 | R | D | -0.9166 | |
| 221 | S | D | -0.3313 | |
| 222 | G | D | 0.0000 | |
| 223 | F | D | 0.0313 | |
| 224 | P | D | 0.0159 | |
| 225 | P | D | 0.0000 | |
| 226 | G | D | -0.0452 | |
| 227 | Y | D | -0.1067 | |
| 228 | L | D | 0.0000 | |
| 229 | S | D | -0.8176 | |
| 230 | F | D | -0.8275 | |
| 231 | E | D | -2.3159 | |
| 232 | A | D | 0.0000 | |
| 233 | A | D | 0.0000 | |
| 234 | E | D | -2.6375 | |
| 235 | K | D | -2.3281 | |
| 236 | A | D | 0.0000 | |
| 237 | K | D | -1.1880 | |
| 238 | F | D | -0.5875 | |
| 239 | N | D | 0.0000 | |
| 240 | L | D | 0.0000 | |
| 241 | I | D | 0.4580 | |
| 242 | Q | D | 0.0000 | |
| 243 | A | D | 0.0000 | |
| 244 | H | D | 0.0000 | |
| 245 | I | D | -0.1663 | |
| 246 | G | D | 0.0000 | |
| 247 | A | D | 0.0000 | |
| 248 | Y | D | 0.0000 | |
| 249 | D | D | -2.7983 | |
| 250 | A | D | 0.0000 | |
| 251 | I | D | 0.0000 | |
| 252 | K | D | -3.2979 | |
| 253 | E | D | -3.1645 | |
| 254 | Y | D | -1.7756 | |
| 255 | S | D | 0.0000 | |
| 256 | E | D | -2.7675 | |
| 257 | K | D | -2.0329 | |
| 258 | S | D | -1.1393 | |
| 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 | -0.2532 | |
| 265 | F | D | 0.0000 | |
| 266 | A | D | -0.0389 | |
| 267 | W | D | 0.0000 | |
| 268 | H | D | 0.0000 | |
| 269 | D | D | -0.2015 | |
| 270 | P | D | -0.8926 | |
| 271 | L | D | 0.7583 | |
| 272 | A | D | -0.9586 | |
| 273 | E | D | -3.2855 | |
| 274 | E | D | -3.4031 | |
| 275 | Y | D | -2.9611 | |
| 276 | K | D | -4.2057 | |
| 277 | D | D | -4.4777 | |
| 278 | E | D | -4.1787 | |
| 279 | V | D | 0.0000 | |
| 280 | E | D | -3.4518 | |
| 281 | E | D | -4.1799 | |
| 282 | I | D | -2.8341 | |
| 283 | R | D | 0.0000 | |
| 284 | K | D | -3.8862 | |
| 285 | K | D | -4.0739 | |
| 286 | D | D | -3.5467 | |
| 287 | Y | D | 0.0000 | |
| 288 | E | D | -2.5764 | |
| 289 | F | D | 0.0000 | |
| 290 | V | D | 0.0000 | |
| 291 | T | D | -1.1784 | |
| 292 | I | D | -0.4016 | |
| 293 | L | D | 0.0000 | |
| 294 | H | D | -1.2976 | |
| 295 | S | D | -1.0735 | |
| 296 | K | D | -1.6955 | |
| 297 | G | D | -1.4828 | |
| 298 | K | D | -1.5587 | |
| 299 | L | D | 0.0000 | |
| 300 | D | D | -0.7024 | |
| 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 | 0.3342 | |
| 308 | S | D | 0.0000 | |
| 309 | R | D | 0.0000 | |
| 310 | L | D | 0.6471 | |
| 311 | V | D | 0.0000 | |
| 312 | Y | D | 0.5097 | |
| 313 | G | D | 0.0000 | |
| 314 | A | D | -1.3775 | |
| 315 | K | D | -2.8318 | |
| 316 | D | D | -3.0286 | |
| 317 | G | D | -2.4266 | |
| 318 | H | D | -2.1083 | |
| 319 | L | D | -0.7291 | |
| 320 | V | D | 0.0689 | |
| 321 | P | D | 0.4531 | |
| 322 | L | D | 0.7405 | |
| 323 | P | D | -0.2700 | |
| 324 | G | D | -0.6175 | |
| 325 | Y | D | -0.0605 | |
| 326 | G | D | 0.0000 | |
| 327 | F | D | 1.1525 | |
| 328 | M | D | 0.2613 | |
| 329 | S | D | 0.0000 | |
| 330 | E | D | -2.4391 | |
| 331 | R | D | -2.5175 | |
| 332 | G | D | -1.4981 | |
| 333 | G | D | -1.0175 | |
| 334 | F | D | 0.1311 | |
| 335 | A | D | 0.0000 | |
| 336 | K | D | -1.9034 | |
| 337 | S | D | -1.0688 | |
| 338 | G | D | -1.1097 | |
| 339 | R | D | -0.8000 | |
| 340 | P | D | 0.0000 | |
| 341 | A | D | 0.0000 | |
| 342 | S | D | 0.0000 | |
| 343 | D | D | -1.6836 | |
| 344 | F | D | -0.8540 | |
| 345 | G | D | 0.0000 | |
| 346 | W | D | 0.2450 | |
| 347 | E | D | 0.0000 | |
| 348 | M | D | 0.0000 | |
| 349 | Y | D | -0.0750 | |
| 350 | P | D | 0.0000 | |
| 351 | E | D | -1.2710 | |
| 352 | G | D | 0.0000 | |
| 353 | L | D | 0.0000 | |
| 354 | E | D | -1.8967 | |
| 355 | N | D | -1.9651 | |
| 356 | L | D | 0.0000 | |
| 357 | L | D | 0.0000 | |
| 358 | K | D | -2.1419 | |
| 359 | Y | D | -1.0934 | |
| 360 | L | D | 0.0000 | |
| 361 | N | D | -1.8162 | |
| 362 | N | D | -2.2040 | |
| 363 | A | D | -1.3189 | |
| 364 | Y | D | 0.0000 | |
| 365 | E | D | -2.3664 | |
| 366 | L | D | -1.2233 | |
| 367 | P | D | -1.0035 | |
| 368 | M | D | 0.0000 | |
| 369 | I | D | 0.0000 | |
| 370 | I | D | 0.0000 | |
| 371 | T | D | 0.0000 | |
| 372 | E | D | -0.1677 | |
| 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 | -0.7745 | |
| 379 | A | D | -0.2973 | |
| 380 | D | D | 0.0000 | |
| 381 | R | D | -0.3761 | |
| 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 | -0.7767 | |
| 393 | A | D | 0.0000 | |
| 394 | V | D | 0.0000 | |
| 395 | Y | D | -0.9287 | |
| 396 | N | D | -1.7959 | |
| 397 | A | D | 0.0000 | |
| 398 | M | D | -2.1181 | |
| 399 | K | D | -2.8182 | |
| 400 | E | D | -3.1868 | |
| 401 | G | D | -2.4532 | |
| 402 | A | D | 0.0000 | |
| 403 | D | D | -2.2499 | |
| 404 | V | D | 0.0000 | |
| 405 | R | D | -1.7131 | |
| 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 | 0.0000 | |
| 416 | Y | D | 0.0000 | |
| 417 | E | D | -0.7220 | |
| 418 | W | D | 0.0000 | |
| 419 | A | D | -0.2490 | |
| 420 | Q | D | -0.8790 | |
| 421 | G | D | 0.0000 | |
| 422 | F | D | -0.9317 | |
| 423 | R | D | -1.9970 | |
| 424 | M | D | 0.0000 | |
| 425 | R | D | -0.8111 | |
| 426 | F | D | 0.0000 | |
| 427 | G | D | 0.0000 | |
| 428 | L | D | 0.0000 | |
| 429 | V | D | 0.0000 | |
| 430 | Y | D | -0.2850 | |
| 431 | V | D | 0.0000 | |
| 432 | D | D | -1.3748 | |
| 433 | F | D | -1.5281 | |
| 434 | E | D | -2.3224 | |
| 435 | T | D | -1.5842 | |
| 436 | K | D | -1.5833 | |
| 437 | K | D | -2.1772 | |
| 438 | R | D | 0.0000 | |
| 439 | Y | D | -0.8679 | |
| 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 | -1.0456 | |
| 449 | E | D | -0.7951 | |
| 450 | I | D | 0.0000 | |
| 451 | A | D | 0.0000 | |
| 452 | T | D | -1.3688 | |
| 453 | Q | D | -1.7295 | |
| 454 | K | D | -1.9122 | |
| 455 | E | D | -1.6690 | |
| 456 | I | D | -1.0518 | |
| 457 | P | D | -1.5000 | |
| 458 | E | D | -2.1584 | |
| 459 | E | D | -1.6761 | |
| 460 | L | D | 0.0000 | |
| 461 | A | D | -1.0245 | |
| 462 | H | D | -0.9142 | |
| 463 | L | D | 0.0000 | |
| 464 | A | D | 0.0000 | |
| 465 | D | D | -1.2050 | |
| 466 | L | D | 0.0000 | |
| 467 | K | D | -1.5969 | |
| 468 | F | D | -0.4485 | |
| 469 | V | D | 0.0000 | |
| 470 | T | D | -1.1794 | |
| 471 | R | D | -2.0167 |
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 | -0.646 | 3.0127 | View | CSV | PDB |
| 4.5 | -0.7239 | 2.971 | View | CSV | PDB |
| 5.0 | -0.8212 | 2.9171 | View | CSV | PDB |
| 5.5 | -0.92 | 2.864 | View | CSV | PDB |
| 6.0 | -1.0004 | 2.8165 | View | CSV | PDB |
| 6.5 | -1.0462 | 2.7827 | View | CSV | PDB |
| 7.0 | -1.0542 | 2.7649 | View | CSV | PDB |
| 7.5 | -1.0347 | 2.7577 | View | CSV | PDB |
| 8.0 | -0.9999 | 2.7552 | View | CSV | PDB |
| 8.5 | -0.9551 | 2.7544 | View | CSV | PDB |
| 9.0 | -0.9012 | 2.7541 | 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