| 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 (00:00:14)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (01:02:23)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/72c174e498e4f8b/tmp/folded.pdb (01:02:23)
[INFO] Main: Simulation completed successfully. (01:45:11)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | A | A | -1.4180 | |
| 2 | K | A | -2.4542 | |
| 3 | F | A | 0.0000 | |
| 4 | P | A | -2.1189 | |
| 5 | K | A | -2.9179 | |
| 6 | N | A | -2.4073 | |
| 7 | F | A | 0.0000 | |
| 8 | M | A | -0.9638 | |
| 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 | -0.1053 | |
| 15 | G | A | -0.1286 | |
| 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 | -1.3704 | |
| 22 | L | A | -0.6431 | |
| 23 | P | A | -1.0706 | |
| 24 | G | A | -1.1308 | |
| 25 | S | A | -1.4654 | |
| 26 | E | A | -2.5533 | |
| 27 | V | A | 0.0000 | |
| 28 | E | A | -1.9915 | |
| 29 | S | A | 0.0000 | |
| 30 | D | A | 0.0000 | |
| 31 | W | A | 0.0000 | |
| 32 | W | A | -0.2763 | |
| 33 | V | A | 0.2532 | |
| 34 | W | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | H | A | -0.1778 | |
| 37 | D | A | 0.0000 | |
| 38 | K | A | -1.1937 | |
| 39 | E | A | -0.5536 | |
| 40 | N | A | 0.0000 | |
| 41 | I | A | 0.7910 | |
| 42 | A | A | 0.2838 | |
| 43 | S | A | -0.3642 | |
| 44 | G | A | -0.3255 | |
| 45 | L | A | -0.1434 | |
| 46 | V | A | 0.0000 | |
| 47 | S | A | -0.3740 | |
| 48 | G | A | -0.0751 | |
| 49 | D | A | -0.5926 | |
| 50 | L | A | 0.3923 | |
| 51 | P | A | 0.0000 | |
| 52 | E | A | -1.9669 | |
| 53 | N | A | -1.6478 | |
| 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 | -1.1896 | |
| 60 | L | A | -0.9793 | |
| 61 | Y | A | 0.0000 | |
| 62 | K | A | -2.5936 | |
| 63 | Q | A | -2.3968 | |
| 64 | D | A | 0.0000 | |
| 65 | H | A | 0.0000 | |
| 66 | D | A | -2.8730 | |
| 67 | I | A | 0.0000 | |
| 68 | A | A | 0.0000 | |
| 69 | E | A | -2.2362 | |
| 70 | K | A | -2.2101 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | -1.4141 | |
| 73 | M | A | 0.0000 | |
| 74 | D | A | -1.2424 | |
| 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 | -0.2346 | |
| 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 | -1.3146 | |
| 88 | K | A | -1.6767 | |
| 89 | P | A | -0.9665 | |
| 90 | T | A | 0.0000 | |
| 91 | F | A | -0.8779 | |
| 92 | D | A | -1.8329 | |
| 93 | V | A | -1.6170 | |
| 94 | K | A | -2.3307 | |
| 95 | V | A | -2.0069 | |
| 96 | D | A | -2.9973 | |
| 97 | V | A | -1.9364 | |
| 98 | E | A | -2.7239 | |
| 99 | K | A | -2.9968 | |
| 100 | D | A | -3.2962 | |
| 101 | E | A | -3.6118 | |
| 102 | E | A | -3.3819 | |
| 103 | G | A | -2.8049 | |
| 104 | N | A | -1.7579 | |
| 105 | I | A | 0.0000 | |
| 106 | I | A | 0.5453 | |
| 107 | S | A | -0.7649 | |
| 108 | V | A | -1.5351 | |
| 109 | D | A | -2.8506 | |
| 110 | V | A | -1.8646 | |
| 111 | P | A | -1.9078 | |
| 112 | E | A | -2.4238 | |
| 113 | S | A | -2.0529 | |
| 114 | T | A | 0.0000 | |
| 115 | I | A | 0.0000 | |
| 116 | K | A | -3.6857 | |
| 117 | E | A | -3.7004 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | -3.0376 | |
| 120 | K | A | -2.8541 | |
| 121 | I | A | -1.6150 | |
| 122 | A | A | 0.0000 | |
| 123 | N | A | -1.7746 | |
| 124 | M | A | -1.8310 | |
| 125 | E | A | -2.6086 | |
| 126 | A | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | E | A | -3.1469 | |
| 129 | H | A | -2.4121 | |
| 130 | Y | A | 0.0000 | |
| 131 | R | A | -2.1959 | |
| 132 | K | A | -2.5083 | |
| 133 | I | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | S | A | -1.7963 | |
| 136 | D | A | -2.1193 | |
| 137 | W | A | 0.0000 | |
| 138 | K | A | -1.8868 | |
| 139 | E | A | -2.4563 | |
| 140 | R | A | -2.1002 | |
| 141 | G | A | -1.6790 | |
| 142 | K | A | -1.4544 | |
| 143 | T | A | -0.6318 | |
| 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 | -0.2339 | |
| 151 | W | A | 0.0000 | |
| 152 | P | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | L | A | -0.3020 | |
| 156 | W | A | -0.1818 | |
| 157 | I | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | D | A | -0.6333 | |
| 160 | P | A | 0.0000 | |
| 161 | I | A | 0.2307 | |
| 162 | A | A | -0.3870 | |
| 163 | V | A | 0.0000 | |
| 164 | R | A | 0.0000 | |
| 165 | K | A | -0.4591 | |
| 166 | L | A | -1.1396 | |
| 167 | G | A | 0.0000 | |
| 168 | P | A | -1.8131 | |
| 169 | D | A | -2.7642 | |
| 170 | R | A | -2.7595 | |
| 171 | A | A | -1.6137 | |
| 172 | P | A | -1.1140 | |
| 173 | A | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | W | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | D | A | -2.5360 | |
| 178 | E | A | -2.8775 | |
| 179 | K | A | -2.2452 | |
| 180 | T | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | V | A | -0.9268 | |
| 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 | -0.4718 | |
| 194 | H | A | -0.6755 | |
| 195 | L | A | 0.0000 | |
| 196 | D | A | -2.0302 | |
| 197 | D | A | -2.2796 | |
| 198 | L | A | -1.3338 | |
| 199 | V | A | 0.0000 | |
| 200 | D | A | -1.3088 | |
| 201 | M | A | -0.6561 | |
| 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 | -0.1638 | |
| 208 | P | A | 0.0000 | |
| 209 | N | A | 0.0000 | |
| 210 | V | A | -0.1931 | |
| 211 | V | A | 0.0000 | |
| 212 | Y | A | -0.7509 | |
| 213 | N | A | -1.1125 | |
| 214 | Q | A | -0.6834 | |
| 215 | G | A | 0.0000 | |
| 216 | Y | A | 0.0000 | |
| 217 | I | A | -0.1250 | |
| 218 | N | A | -0.3571 | |
| 219 | L | A | -0.3045 | |
| 220 | R | A | -0.9418 | |
| 221 | S | A | -0.4281 | |
| 222 | G | A | 0.0000 | |
| 223 | F | A | 0.0325 | |
| 224 | P | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | G | A | -0.1288 | |
| 227 | Y | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | S | A | -0.7481 | |
| 230 | F | A | -1.0746 | |
| 231 | E | A | -2.3434 | |
| 232 | A | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | E | A | -2.8112 | |
| 235 | K | A | -2.5526 | |
| 236 | A | A | 0.0000 | |
| 237 | K | A | -1.4045 | |
| 238 | F | A | -0.7191 | |
| 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 | -1.3308 | |
| 250 | A | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | K | A | -2.1465 | |
| 253 | E | A | -2.5590 | |
| 254 | Y | A | -1.3210 | |
| 255 | S | A | 0.0000 | |
| 256 | E | A | -2.6863 | |
| 257 | K | A | -1.7192 | |
| 258 | S | A | -0.9465 | |
| 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 | -0.0758 | |
| 265 | F | A | 0.0000 | |
| 266 | A | A | -0.0352 | |
| 267 | W | A | 0.0000 | |
| 268 | H | A | 0.0000 | |
| 269 | D | A | -0.7114 | |
| 270 | P | A | -0.9735 | |
| 271 | L | A | 0.4065 | |
| 272 | A | A | -1.0307 | |
| 273 | E | A | -3.0217 | |
| 274 | E | A | -3.1834 | |
| 275 | Y | A | -2.4646 | |
| 276 | K | A | -3.6796 | |
| 277 | D | A | -4.2789 | |
| 278 | E | A | -3.8009 | |
| 279 | V | A | 0.0000 | |
| 280 | E | A | -3.5127 | |
| 281 | E | A | -4.2342 | |
| 282 | I | A | -2.8862 | |
| 283 | R | A | 0.0000 | |
| 284 | K | A | -3.6606 | |
| 285 | K | A | -3.6701 | |
| 286 | D | A | -2.4980 | |
| 287 | Y | A | 0.0000 | |
| 288 | E | A | -2.1798 | |
| 289 | F | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | T | A | -0.8585 | |
| 292 | I | A | -0.0534 | |
| 293 | L | A | 0.0000 | |
| 294 | H | A | -1.0514 | |
| 295 | S | A | -1.1273 | |
| 296 | K | A | -1.8025 | |
| 297 | G | A | -1.5620 | |
| 298 | K | A | -1.1833 | |
| 299 | L | A | 0.0000 | |
| 300 | D | A | -0.5666 | |
| 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 | 0.2921 | |
| 308 | S | A | 0.0000 | |
| 309 | R | A | -0.0093 | |
| 310 | L | A | 0.4128 | |
| 311 | V | A | 0.0000 | |
| 312 | Y | A | 0.0000 | |
| 313 | G | A | 0.0000 | |
| 314 | A | A | -1.3842 | |
| 315 | K | A | -2.6336 | |
| 316 | D | A | -2.8707 | |
| 317 | G | A | -1.9560 | |
| 318 | H | A | -1.5339 | |
| 319 | L | A | -0.8581 | |
| 320 | V | A | -0.3127 | |
| 321 | P | A | 0.3247 | |
| 322 | L | A | 0.0000 | |
| 323 | P | A | -0.3355 | |
| 324 | G | A | 0.0000 | |
| 325 | Y | A | -0.2152 | |
| 326 | G | A | 0.0000 | |
| 327 | F | A | 0.5763 | |
| 328 | M | A | 0.1192 | |
| 329 | S | A | -1.0807 | |
| 330 | E | A | -2.6437 | |
| 331 | R | A | -2.5958 | |
| 332 | G | A | -1.4711 | |
| 333 | G | A | -1.2972 | |
| 334 | F | A | -0.8538 | |
| 335 | A | A | 0.0000 | |
| 336 | K | A | -2.0691 | |
| 337 | S | A | -1.1144 | |
| 338 | G | A | -1.5008 | |
| 339 | R | A | -1.0603 | |
| 340 | P | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | D | A | -1.3826 | |
| 344 | F | A | -0.6508 | |
| 345 | G | A | 0.0000 | |
| 346 | W | A | 0.0950 | |
| 347 | E | A | 0.0000 | |
| 348 | M | A | 0.0000 | |
| 349 | Y | A | -0.1871 | |
| 350 | P | A | 0.0000 | |
| 351 | E | A | -1.3766 | |
| 352 | G | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | E | A | -1.6476 | |
| 355 | N | A | -1.5718 | |
| 356 | L | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | K | A | -2.3242 | |
| 359 | Y | A | -1.0480 | |
| 360 | L | A | 0.0000 | |
| 361 | N | A | -2.2224 | |
| 362 | N | A | -1.9598 | |
| 363 | A | A | -1.1222 | |
| 364 | Y | A | -1.0621 | |
| 365 | E | A | -2.3818 | |
| 366 | L | A | -1.2323 | |
| 367 | P | A | -1.0780 | |
| 368 | M | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | E | A | -0.1930 | |
| 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 | -0.4757 | |
| 379 | A | A | 0.0000 | |
| 380 | D | A | 0.0000 | |
| 381 | R | A | -0.4094 | |
| 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 | -1.0000 | |
| 393 | A | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | Y | A | -1.2027 | |
| 396 | N | A | -1.9050 | |
| 397 | A | A | 0.0000 | |
| 398 | M | A | -2.2052 | |
| 399 | K | A | -2.9433 | |
| 400 | E | A | -3.2095 | |
| 401 | G | A | -2.6917 | |
| 402 | A | A | 0.0000 | |
| 403 | D | A | -2.2423 | |
| 404 | V | A | 0.0000 | |
| 405 | R | A | -1.5358 | |
| 406 | G | A | 0.0000 | |
| 407 | Y | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | H | A | -0.1062 | |
| 410 | W | A | -0.0027 | |
| 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 | -0.7491 | |
| 418 | W | A | 0.0000 | |
| 419 | A | A | -0.5558 | |
| 420 | Q | A | -1.0430 | |
| 421 | G | A | 0.0000 | |
| 422 | F | A | -0.8219 | |
| 423 | R | A | -1.8265 | |
| 424 | M | A | 0.0000 | |
| 425 | R | A | -0.6899 | |
| 426 | F | A | 0.0000 | |
| 427 | G | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | Y | A | -0.1816 | |
| 431 | V | A | 0.0000 | |
| 432 | D | A | -1.3388 | |
| 433 | F | A | -1.3221 | |
| 434 | E | A | -2.2151 | |
| 435 | T | A | -1.5041 | |
| 436 | K | A | -1.5339 | |
| 437 | K | A | -2.1685 | |
| 438 | R | A | 0.0000 | |
| 439 | Y | A | -0.8071 | |
| 440 | L | A | 0.0000 | |
| 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 | -1.4349 | |
| 449 | E | A | -1.4552 | |
| 450 | I | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | T | A | -1.5255 | |
| 453 | Q | A | -1.9629 | |
| 454 | K | A | 0.0000 | |
| 455 | E | A | -2.4918 | |
| 456 | I | A | 0.0000 | |
| 457 | P | A | -1.9588 | |
| 458 | E | A | -2.3952 | |
| 459 | E | A | -1.9140 | |
| 460 | L | A | 0.0000 | |
| 461 | A | A | -1.5241 | |
| 462 | H | A | -1.4246 | |
| 463 | L | A | 0.0000 | |
| 464 | A | A | -1.1966 | |
| 465 | D | A | -1.9581 | |
| 466 | L | A | 0.0000 | |
| 467 | K | A | -1.9834 | |
| 468 | F | A | -0.5284 | |
| 469 | V | A | 0.0000 | |
| 470 | T | A | -1.3935 | |
| 471 | R | A | -2.1089 | |
| 1 | A | B | -1.2294 | |
| 2 | K | B | -2.3880 | |
| 3 | F | B | 0.0000 | |
| 4 | P | B | -2.0530 | |
| 5 | K | B | -2.7776 | |
| 6 | N | B | -2.4535 | |
| 7 | F | B | 0.0000 | |
| 8 | M | B | -0.9687 | |
| 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 | -0.9063 | |
| 22 | L | B | -0.5861 | |
| 23 | P | B | -0.8682 | |
| 24 | G | B | -1.0346 | |
| 25 | S | B | 0.0000 | |
| 26 | E | B | -2.4478 | |
| 27 | V | B | 0.0000 | |
| 28 | E | B | -2.0135 | |
| 29 | S | B | 0.0000 | |
| 30 | D | B | 0.0000 | |
| 31 | W | B | 0.0000 | |
| 32 | W | B | -0.4938 | |
| 33 | V | B | -0.2260 | |
| 34 | W | B | 0.0000 | |
| 35 | V | B | 0.0000 | |
| 36 | H | B | -1.1705 | |
| 37 | D | B | -1.1685 | |
| 38 | K | B | -1.7072 | |
| 39 | E | B | -0.6248 | |
| 40 | N | B | 0.0000 | |
| 41 | I | B | 0.3304 | |
| 42 | A | B | 0.1063 | |
| 43 | S | B | 0.0000 | |
| 44 | G | B | -0.2083 | |
| 45 | L | B | 0.0000 | |
| 46 | V | B | 0.0000 | |
| 47 | S | B | -0.2821 | |
| 48 | G | B | -0.7841 | |
| 49 | D | B | -0.9052 | |
| 50 | L | B | -0.1243 | |
| 51 | P | B | 0.0000 | |
| 52 | E | B | -1.3773 | |
| 53 | N | B | -1.0710 | |
| 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 | -0.7121 | |
| 60 | L | B | -0.6767 | |
| 61 | Y | B | -1.2905 | |
| 62 | K | B | -2.4566 | |
| 63 | Q | B | -2.0377 | |
| 64 | D | B | 0.0000 | |
| 65 | H | B | 0.0000 | |
| 66 | D | B | -2.8598 | |
| 67 | I | B | -1.7600 | |
| 68 | A | B | 0.0000 | |
| 69 | E | B | -2.3832 | |
| 70 | K | B | -2.3242 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | -1.4740 | |
| 73 | M | B | 0.0000 | |
| 74 | D | B | -0.9857 | |
| 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 | -1.3928 | |
| 88 | K | B | -1.8638 | |
| 89 | P | B | -0.9389 | |
| 90 | T | B | 0.0000 | |
| 91 | F | B | -0.7059 | |
| 92 | D | B | -2.1508 | |
| 93 | V | B | 0.0000 | |
| 94 | K | B | -2.4704 | |
| 95 | V | B | -1.6484 | |
| 96 | D | B | -2.5084 | |
| 97 | V | B | -1.3834 | |
| 98 | E | B | -2.3171 | |
| 99 | K | B | -2.2701 | |
| 100 | D | B | -3.4941 | |
| 101 | E | B | -3.7224 | |
| 102 | E | B | -3.3964 | |
| 103 | G | B | -2.5914 | |
| 104 | N | B | -1.6824 | |
| 105 | I | B | 0.0000 | |
| 106 | I | B | 1.0067 | |
| 107 | S | B | 0.0886 | |
| 108 | V | B | -1.1766 | |
| 109 | D | B | -2.7022 | |
| 110 | V | B | 0.0000 | |
| 111 | P | B | -2.1565 | |
| 112 | E | B | -2.8060 | |
| 113 | S | B | -2.1576 | |
| 114 | T | B | -2.4562 | |
| 115 | I | B | 0.0000 | |
| 116 | K | B | -3.7183 | |
| 117 | E | B | -4.0931 | |
| 118 | L | B | 0.0000 | |
| 119 | E | B | -2.7612 | |
| 120 | K | B | -2.8894 | |
| 121 | I | B | -1.9798 | |
| 122 | A | B | -1.7993 | |
| 123 | N | B | -1.7009 | |
| 124 | M | B | -1.4518 | |
| 125 | E | B | -2.4616 | |
| 126 | A | B | 0.0000 | |
| 127 | L | B | 0.0000 | |
| 128 | E | B | -3.0769 | |
| 129 | H | B | -2.3020 | |
| 130 | Y | B | 0.0000 | |
| 131 | R | B | -2.4971 | |
| 132 | K | B | -2.8243 | |
| 133 | I | B | 0.0000 | |
| 134 | Y | B | 0.0000 | |
| 135 | S | B | -1.9677 | |
| 136 | D | B | -2.0383 | |
| 137 | W | B | 0.0000 | |
| 138 | K | B | -2.3490 | |
| 139 | E | B | -2.7607 | |
| 140 | R | B | -2.0346 | |
| 141 | G | B | -1.7038 | |
| 142 | K | B | -1.5569 | |
| 143 | T | B | -0.7277 | |
| 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 | 0.1353 | |
| 152 | P | B | 0.0000 | |
| 153 | L | B | 0.0000 | |
| 154 | P | B | 0.0000 | |
| 155 | L | B | -0.3069 | |
| 156 | W | B | -0.2827 | |
| 157 | I | B | 0.0000 | |
| 158 | H | B | 0.0000 | |
| 159 | D | B | -0.1960 | |
| 160 | P | B | 0.0000 | |
| 161 | I | B | 0.0396 | |
| 162 | A | B | -0.4694 | |
| 163 | V | B | 0.0000 | |
| 164 | R | B | 0.0000 | |
| 165 | K | B | -0.8549 | |
| 166 | L | B | -1.2042 | |
| 167 | G | B | 0.0000 | |
| 168 | P | B | -1.5884 | |
| 169 | D | B | -2.4347 | |
| 170 | R | B | -2.3241 | |
| 171 | A | B | 0.0000 | |
| 172 | P | B | -0.7962 | |
| 173 | A | B | 0.0000 | |
| 174 | G | B | 0.0000 | |
| 175 | W | B | 0.0000 | |
| 176 | L | B | 0.0000 | |
| 177 | D | B | -2.0933 | |
| 178 | E | B | -2.7760 | |
| 179 | K | B | -2.0897 | |
| 180 | T | B | 0.0000 | |
| 181 | V | B | 0.0000 | |
| 182 | V | B | -0.8119 | |
| 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 | -0.3857 | |
| 194 | H | B | -0.7271 | |
| 195 | L | B | 0.0000 | |
| 196 | D | B | -1.7207 | |
| 197 | D | B | -2.2456 | |
| 198 | L | B | 0.0000 | |
| 199 | V | B | 0.0000 | |
| 200 | D | B | -1.4074 | |
| 201 | M | B | -0.6194 | |
| 202 | W | B | 0.0000 | |
| 203 | S | B | 0.0000 | |
| 204 | T | B | 0.0000 | |
| 205 | M | B | 0.0000 | |
| 206 | N | B | -0.1813 | |
| 207 | E | B | -0.2072 | |
| 208 | P | B | 0.0000 | |
| 209 | N | B | -0.4992 | |
| 210 | V | B | -0.0097 | |
| 211 | V | B | 0.0269 | |
| 212 | Y | B | 0.0000 | |
| 213 | N | B | -0.5977 | |
| 214 | Q | B | -0.6457 | |
| 215 | G | B | 0.0000 | |
| 216 | Y | B | 0.0000 | |
| 217 | I | B | 0.0000 | |
| 218 | N | B | -0.8817 | |
| 219 | L | B | 0.0000 | |
| 220 | R | B | -2.0711 | |
| 221 | S | B | -0.9190 | |
| 222 | G | B | 0.0000 | |
| 223 | F | B | -0.1045 | |
| 224 | P | B | 0.1406 | |
| 225 | P | B | 0.0000 | |
| 226 | G | B | -0.3342 | |
| 227 | Y | B | 0.0004 | |
| 228 | L | B | 0.0000 | |
| 229 | S | B | 0.0000 | |
| 230 | F | B | -1.0715 | |
| 231 | E | B | -2.4885 | |
| 232 | A | B | 0.0000 | |
| 233 | A | B | 0.0000 | |
| 234 | E | B | -2.9993 | |
| 235 | K | B | -2.9935 | |
| 236 | A | B | 0.0000 | |
| 237 | K | B | -1.5142 | |
| 238 | F | B | -1.0640 | |
| 239 | N | B | 0.0000 | |
| 240 | L | B | 0.0000 | |
| 241 | I | B | 0.0000 | |
| 242 | Q | B | 0.0000 | |
| 243 | A | B | 0.0000 | |
| 244 | H | B | 0.0000 | |
| 245 | I | B | 0.0000 | |
| 246 | G | B | 0.0000 | |
| 247 | A | B | 0.0000 | |
| 248 | Y | B | 0.0000 | |
| 249 | D | B | -1.4051 | |
| 250 | A | B | 0.0000 | |
| 251 | I | B | 0.0000 | |
| 252 | K | B | -3.0062 | |
| 253 | E | B | -3.0983 | |
| 254 | Y | B | -1.5537 | |
| 255 | S | B | -2.2785 | |
| 256 | E | B | -2.7944 | |
| 257 | K | B | -1.9573 | |
| 258 | S | B | -1.0956 | |
| 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 | -0.1470 | |
| 265 | F | B | 0.0000 | |
| 266 | A | B | 0.0251 | |
| 267 | W | B | 0.0038 | |
| 268 | H | B | 0.0000 | |
| 269 | D | B | -0.2550 | |
| 270 | P | B | -1.0614 | |
| 271 | L | B | 0.0442 | |
| 272 | A | B | 0.0000 | |
| 273 | E | B | -2.9656 | |
| 274 | E | B | -3.2817 | |
| 275 | Y | B | -3.0445 | |
| 276 | K | B | -4.1436 | |
| 277 | D | B | -4.6078 | |
| 278 | E | B | -4.3781 | |
| 279 | V | B | 0.0000 | |
| 280 | E | B | -4.8401 | |
| 281 | E | B | -4.9501 | |
| 282 | I | B | -3.5012 | |
| 283 | R | B | -3.4033 | |
| 284 | K | B | -4.2656 | |
| 285 | K | B | -3.7808 | |
| 286 | D | B | -3.1206 | |
| 287 | Y | B | 0.0000 | |
| 288 | E | B | -1.7700 | |
| 289 | F | B | 0.0000 | |
| 290 | V | B | 0.0000 | |
| 291 | T | B | -0.8531 | |
| 292 | I | B | -0.3023 | |
| 293 | L | B | 0.0000 | |
| 294 | H | B | -1.4002 | |
| 295 | S | B | -1.2703 | |
| 296 | K | B | -2.1475 | |
| 297 | G | B | -1.6762 | |
| 298 | K | B | -1.3120 | |
| 299 | L | B | 0.0000 | |
| 300 | D | B | -0.6107 | |
| 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 | 0.4203 | |
| 308 | S | B | 0.0000 | |
| 309 | R | B | 0.0000 | |
| 310 | L | B | 0.5790 | |
| 311 | V | B | 0.0000 | |
| 312 | Y | B | 0.0000 | |
| 313 | G | B | 0.0000 | |
| 314 | A | B | -1.7088 | |
| 315 | K | B | -2.8061 | |
| 316 | D | B | -3.0328 | |
| 317 | G | B | -2.1815 | |
| 318 | H | B | -2.0514 | |
| 319 | L | B | -1.2722 | |
| 320 | V | B | -0.3857 | |
| 321 | P | B | 0.1677 | |
| 322 | L | B | 0.4718 | |
| 323 | P | B | -0.1659 | |
| 324 | G | B | 0.0000 | |
| 325 | Y | B | -0.0733 | |
| 326 | G | B | 0.0000 | |
| 327 | F | B | 0.9497 | |
| 328 | M | B | 0.2323 | |
| 329 | S | B | -0.8256 | |
| 330 | E | B | -2.1016 | |
| 331 | R | B | -2.2812 | |
| 332 | G | B | -1.2794 | |
| 333 | G | B | -1.1843 | |
| 334 | F | B | -0.7412 | |
| 335 | A | B | 0.0000 | |
| 336 | K | B | -1.9917 | |
| 337 | S | B | -1.1318 | |
| 338 | G | B | -1.5507 | |
| 339 | R | B | -0.9177 | |
| 340 | P | B | 0.0000 | |
| 341 | A | B | 0.0000 | |
| 342 | S | B | 0.0000 | |
| 343 | D | B | -0.9383 | |
| 344 | F | B | -0.2675 | |
| 345 | G | B | 0.0000 | |
| 346 | W | B | 0.3498 | |
| 347 | E | B | 0.0000 | |
| 348 | M | B | 0.0000 | |
| 349 | Y | B | -0.0704 | |
| 350 | P | B | 0.0000 | |
| 351 | E | B | -1.3426 | |
| 352 | G | B | 0.0000 | |
| 353 | L | B | 0.0000 | |
| 354 | E | B | -1.2741 | |
| 355 | N | B | -1.0104 | |
| 356 | L | B | 0.0000 | |
| 357 | L | B | 0.0000 | |
| 358 | K | B | -1.5428 | |
| 359 | Y | B | -0.4720 | |
| 360 | L | B | 0.0000 | |
| 361 | N | B | -1.7357 | |
| 362 | N | B | -1.8351 | |
| 363 | A | B | -1.0544 | |
| 364 | Y | B | 0.0000 | |
| 365 | E | B | -2.3019 | |
| 366 | L | B | -1.2291 | |
| 367 | P | B | -0.9001 | |
| 368 | M | B | 0.0000 | |
| 369 | I | B | 0.0000 | |
| 370 | I | B | 0.0000 | |
| 371 | T | B | 0.0000 | |
| 372 | E | B | 0.0000 | |
| 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 | -0.2914 | |
| 379 | A | B | 0.0000 | |
| 380 | D | B | 0.0000 | |
| 381 | R | B | 0.0000 | |
| 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 | -1.2194 | |
| 393 | A | B | 0.0000 | |
| 394 | V | B | 0.0000 | |
| 395 | Y | B | -1.2107 | |
| 396 | N | B | -2.1046 | |
| 397 | A | B | 0.0000 | |
| 398 | M | B | -2.0474 | |
| 399 | K | B | -2.8891 | |
| 400 | E | B | -3.1296 | |
| 401 | G | B | -2.3976 | |
| 402 | A | B | 0.0000 | |
| 403 | D | B | -1.9537 | |
| 404 | V | B | 0.0000 | |
| 405 | R | B | -1.6074 | |
| 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 | -0.4702 | |
| 418 | W | B | -0.0323 | |
| 419 | A | B | -0.5648 | |
| 420 | Q | B | -0.6336 | |
| 421 | G | B | 0.0000 | |
| 422 | F | B | -0.5616 | |
| 423 | R | B | -1.3411 | |
| 424 | M | B | 0.0000 | |
| 425 | R | B | -0.3104 | |
| 426 | F | B | -0.0324 | |
| 427 | G | B | 0.0000 | |
| 428 | L | B | 0.0000 | |
| 429 | V | B | 0.0000 | |
| 430 | Y | B | 0.0000 | |
| 431 | V | B | 0.0000 | |
| 432 | D | B | -1.4106 | |
| 433 | F | B | -1.4850 | |
| 434 | E | B | -2.2866 | |
| 435 | T | B | -1.5814 | |
| 436 | K | B | -1.4767 | |
| 437 | K | B | -2.0595 | |
| 438 | R | B | -1.1073 | |
| 439 | Y | B | -1.0244 | |
| 440 | L | B | -0.4079 | |
| 441 | R | B | 0.0000 | |
| 442 | P | B | 0.0000 | |
| 443 | S | B | 0.0000 | |
| 444 | A | B | 0.0000 | |
| 445 | L | B | -0.3237 | |
| 446 | V | B | 0.0000 | |
| 447 | F | B | 0.0000 | |
| 448 | R | B | -1.6576 | |
| 449 | E | B | -1.1430 | |
| 450 | I | B | 0.0000 | |
| 451 | A | B | 0.0000 | |
| 452 | T | B | -1.4968 | |
| 453 | Q | B | -1.8987 | |
| 454 | K | B | -2.0337 | |
| 455 | E | B | -1.7520 | |
| 456 | I | B | -1.2758 | |
| 457 | P | B | -1.5210 | |
| 458 | E | B | -2.3919 | |
| 459 | E | B | -2.2337 | |
| 460 | L | B | 0.0000 | |
| 461 | A | B | -1.1717 | |
| 462 | H | B | -0.7626 | |
| 463 | L | B | 0.0000 | |
| 464 | A | B | 0.0000 | |
| 465 | D | B | -1.1199 | |
| 466 | L | B | 0.0000 | |
| 467 | K | B | -1.6251 | |
| 468 | F | B | -0.0335 | |
| 469 | V | B | 0.0000 | |
| 470 | T | B | -1.3806 | |
| 471 | R | B | -2.0739 | |
| 1 | A | C | -1.3223 | |
| 2 | K | C | -2.3175 | |
| 3 | F | C | 0.0000 | |
| 4 | P | C | -2.0064 | |
| 5 | K | C | -2.8053 | |
| 6 | N | C | -2.4590 | |
| 7 | F | C | 0.0000 | |
| 8 | M | C | -1.1842 | |
| 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 | -0.2349 | |
| 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 | -1.0398 | |
| 22 | L | C | -0.5397 | |
| 23 | P | C | -0.9364 | |
| 24 | G | C | -1.0876 | |
| 25 | S | C | 0.0000 | |
| 26 | E | C | -2.3427 | |
| 27 | V | C | -1.5694 | |
| 28 | E | C | -1.8739 | |
| 29 | S | C | 0.0000 | |
| 30 | D | C | 0.0000 | |
| 31 | W | C | 0.0000 | |
| 32 | W | C | -0.3194 | |
| 33 | V | C | -0.2004 | |
| 34 | W | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | H | C | -0.5196 | |
| 37 | D | C | -0.8361 | |
| 38 | K | C | -1.4505 | |
| 39 | E | C | -0.7256 | |
| 40 | N | C | 0.0000 | |
| 41 | I | C | 0.1904 | |
| 42 | A | C | 0.0227 | |
| 43 | S | C | 0.0000 | |
| 44 | G | C | -0.6137 | |
| 45 | L | C | 0.0000 | |
| 46 | V | C | 0.0000 | |
| 47 | S | C | -0.6550 | |
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| 49 | D | C | -1.2211 | |
| 50 | L | C | -0.6273 | |
| 51 | P | C | 0.0000 | |
| 52 | E | C | -2.0750 | |
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| 54 | G | C | 0.0000 | |
| 55 | P | C | 0.0000 | |
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| 59 | H | C | -0.7884 | |
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| 134 | Y | C | 0.0000 | |
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| 144 | F | C | 0.0000 | |
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| 195 | L | C | 0.0000 | |
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| 199 | V | C | 0.0000 | |
| 200 | D | C | -1.3741 | |
| 201 | M | C | -0.6602 | |
| 202 | W | C | 0.0000 | |
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| 204 | T | C | 0.0000 | |
| 205 | M | C | 0.0000 | |
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| 208 | P | C | 0.0000 | |
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| 211 | V | C | 0.0000 | |
| 212 | Y | C | 0.0000 | |
| 213 | N | C | -0.8664 | |
| 214 | Q | C | -1.0145 | |
| 215 | G | C | 0.0000 | |
| 216 | Y | C | 0.0000 | |
| 217 | I | C | -0.6315 | |
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| 219 | L | C | -1.0361 | |
| 220 | R | C | -1.7486 | |
| 221 | S | C | -1.1550 | |
| 222 | G | C | 0.0000 | |
| 223 | F | C | -0.2369 | |
| 224 | P | C | 0.0000 | |
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| 226 | G | C | -0.3091 | |
| 227 | Y | C | -0.1695 | |
| 228 | L | C | 0.0000 | |
| 229 | S | C | 0.0000 | |
| 230 | F | C | -0.9405 | |
| 231 | E | C | -2.4248 | |
| 232 | A | C | 0.0000 | |
| 233 | A | C | 0.0000 | |
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| 235 | K | C | -2.9229 | |
| 236 | A | C | 0.0000 | |
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| 240 | L | C | 0.0000 | |
| 241 | I | C | 0.0000 | |
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| 244 | H | C | 0.0000 | |
| 245 | I | C | 0.0000 | |
| 246 | G | C | 0.0000 | |
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| 250 | A | C | 0.0000 | |
| 251 | I | C | 0.0000 | |
| 252 | K | C | -2.3382 | |
| 253 | E | C | -2.9632 | |
| 254 | Y | C | -1.4692 | |
| 255 | S | C | 0.0000 | |
| 256 | E | C | -2.5154 | |
| 257 | K | C | -1.5728 | |
| 258 | S | C | -0.8830 | |
| 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 | -0.0311 | |
| 265 | F | C | 0.0000 | |
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| 267 | W | C | -0.1501 | |
| 268 | H | C | 0.0000 | |
| 269 | D | C | -0.5709 | |
| 270 | P | C | -1.2075 | |
| 271 | L | C | 0.0943 | |
| 272 | A | C | -1.0587 | |
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| 275 | Y | C | -2.6252 | |
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| 280 | E | C | -4.4095 | |
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| 283 | R | C | 0.0000 | |
| 284 | K | C | -4.1907 | |
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| 287 | Y | C | 0.0000 | |
| 288 | E | C | -2.8642 | |
| 289 | F | C | 0.0000 | |
| 290 | V | C | 0.0000 | |
| 291 | T | C | -1.0442 | |
| 292 | I | C | 0.0068 | |
| 293 | L | C | 0.0000 | |
| 294 | H | C | -0.9840 | |
| 295 | S | C | -0.7407 | |
| 296 | K | C | -1.3189 | |
| 297 | G | C | -1.1895 | |
| 298 | K | C | -1.0747 | |
| 299 | L | C | 0.0000 | |
| 300 | D | C | -0.7138 | |
| 301 | W | C | 0.0000 | |
| 302 | I | C | 0.0000 | |
| 303 | G | C | 0.0000 | |
| 304 | V | C | 0.0000 | |
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| 306 | Y | C | 0.0000 | |
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| 308 | S | C | 0.0000 | |
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| 310 | L | C | 0.5630 | |
| 311 | V | C | 0.0000 | |
| 312 | Y | C | 0.0000 | |
| 313 | G | C | 0.0000 | |
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| 316 | D | C | -3.1460 | |
| 317 | G | C | -2.4983 | |
| 318 | H | C | -2.0177 | |
| 319 | L | C | -0.7379 | |
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| 322 | L | C | 0.7144 | |
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| 324 | G | C | 0.0000 | |
| 325 | Y | C | -0.0423 | |
| 326 | G | C | 0.0000 | |
| 327 | F | C | 1.1125 | |
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| 331 | R | C | -2.7527 | |
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| 335 | A | C | 0.0000 | |
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| 338 | G | C | 0.0000 | |
| 339 | R | C | -1.0573 | |
| 340 | P | C | 0.0000 | |
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| 342 | S | C | 0.0000 | |
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| 345 | G | C | 0.0000 | |
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| 360 | L | C | 0.0000 | |
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| 364 | Y | C | 0.0000 | |
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| 366 | L | C | -1.2044 | |
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| 368 | M | C | 0.0000 | |
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| 374 | G | C | 0.0000 | |
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| 380 | D | C | 0.0000 | |
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| 382 | Y | C | -0.0403 | |
| 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 | |
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| 390 | H | C | 0.0000 | |
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| 392 | K | C | -0.9137 | |
| 393 | A | C | 0.0000 | |
| 394 | V | C | 0.0000 | |
| 395 | Y | C | -1.0982 | |
| 396 | N | C | -1.5466 | |
| 397 | A | C | 0.0000 | |
| 398 | M | C | -2.0530 | |
| 399 | K | C | -2.7799 | |
| 400 | E | C | -3.1115 | |
| 401 | G | C | -2.4336 | |
| 402 | A | C | 0.0000 | |
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| 404 | V | C | 0.0000 | |
| 405 | R | C | -1.5293 | |
| 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 | |
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| 414 | D | C | 0.0000 | |
| 415 | N | C | 0.0000 | |
| 416 | Y | C | 0.0000 | |
| 417 | E | C | -0.5506 | |
| 418 | W | C | -0.0456 | |
| 419 | A | C | -0.4278 | |
| 420 | Q | C | -1.0854 | |
| 421 | G | C | 0.0000 | |
| 422 | F | C | -0.7468 | |
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| 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 | -0.2479 | |
| 431 | V | C | 0.0000 | |
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| 433 | F | C | 0.0000 | |
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| 435 | T | C | -1.7028 | |
| 436 | K | C | -1.5985 | |
| 437 | K | C | -2.2539 | |
| 438 | R | C | 0.0000 | |
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| 440 | L | C | -0.1408 | |
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| 445 | L | C | -0.4993 | |
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| 448 | R | C | -2.2452 | |
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| 450 | I | C | 0.0000 | |
| 451 | A | C | 0.0000 | |
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| 453 | Q | C | -2.3524 | |
| 454 | K | C | -2.2675 | |
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| 468 | F | C | -0.7293 | |
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| 470 | T | C | -1.4087 | |
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| 1 | A | D | -0.8683 | |
| 2 | K | D | -2.1118 | |
| 3 | F | D | 0.0000 | |
| 4 | P | D | -1.9693 | |
| 5 | K | D | -2.8242 | |
| 6 | N | D | -2.4847 | |
| 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 | |
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| 18 | F | D | 0.0000 | |
| 19 | E | D | 0.0000 | |
| 20 | M | D | 0.0000 | |
| 21 | G | D | -1.4338 | |
| 22 | L | D | -0.5351 | |
| 23 | P | D | -0.9813 | |
| 24 | G | D | -1.0213 | |
| 25 | S | D | 0.0000 | |
| 26 | E | D | -2.6203 | |
| 27 | V | D | 0.0000 | |
| 28 | E | D | -2.0768 | |
| 29 | S | D | 0.0000 | |
| 30 | D | D | 0.0000 | |
| 31 | W | D | 0.0000 | |
| 32 | W | D | 0.0000 | |
| 33 | V | D | -0.3020 | |
| 34 | W | D | 0.0000 | |
| 35 | V | D | 0.0000 | |
| 36 | H | D | -0.5655 | |
| 37 | D | D | -1.1175 | |
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| 39 | E | D | -1.3787 | |
| 40 | N | D | 0.0000 | |
| 41 | I | D | -0.5782 | |
| 42 | A | D | -0.4317 | |
| 43 | S | D | -0.5324 | |
| 44 | G | D | -0.5686 | |
| 45 | L | D | 0.0000 | |
| 46 | V | D | 0.0000 | |
| 47 | S | D | -0.6083 | |
| 48 | G | D | -0.5940 | |
| 49 | D | D | -0.9608 | |
| 50 | L | D | -0.6566 | |
| 51 | P | D | 0.0000 | |
| 52 | E | D | -2.3012 | |
| 53 | N | D | -2.2172 | |
| 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 | -0.4737 | |
| 60 | L | D | -0.7476 | |
| 61 | Y | D | -1.0118 | |
| 62 | K | D | -2.1430 | |
| 63 | Q | D | -1.8329 | |
| 64 | D | D | 0.0000 | |
| 65 | H | D | 0.0000 | |
| 66 | D | D | -2.0745 | |
| 67 | I | D | -1.3814 | |
| 68 | A | D | 0.0000 | |
| 69 | E | D | -2.0490 | |
| 70 | K | D | -2.3187 | |
| 71 | L | D | 0.0000 | |
| 72 | G | D | -1.5522 | |
| 73 | M | D | 0.0000 | |
| 74 | D | D | -1.3834 | |
| 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 | -0.6469 | |
| 84 | R | D | -0.9872 | |
| 85 | I | D | 0.0000 | |
| 86 | F | D | 0.0000 | |
| 87 | P | D | -1.2416 | |
| 88 | K | D | -1.6508 | |
| 89 | P | D | -0.9609 | |
| 90 | T | D | 0.0000 | |
| 91 | F | D | -0.9159 | |
| 92 | D | D | -2.0253 | |
| 93 | V | D | -1.5898 | |
| 94 | K | D | -2.3306 | |
| 95 | V | D | -2.1326 | |
| 96 | D | D | -2.8304 | |
| 97 | V | D | -1.6277 | |
| 98 | E | D | -2.3744 | |
| 99 | K | D | -2.3994 | |
| 100 | D | D | -2.9804 | |
| 101 | E | D | -3.4986 | |
| 102 | E | D | -3.3300 | |
| 103 | G | D | -2.2851 | |
| 104 | N | D | -1.6480 | |
| 105 | I | D | -0.3126 | |
| 106 | I | D | 0.7014 | |
| 107 | S | D | -0.5624 | |
| 108 | V | D | -1.5568 | |
| 109 | D | D | -3.0900 | |
| 110 | V | D | 0.0000 | |
| 111 | P | D | -2.1662 | |
| 112 | E | D | -2.2549 | |
| 113 | S | D | -2.0629 | |
| 114 | T | D | 0.0000 | |
| 115 | I | D | 0.0000 | |
| 116 | K | D | -2.7542 | |
| 117 | E | D | -3.1114 | |
| 118 | L | D | 0.0000 | |
| 119 | E | D | -2.5495 | |
| 120 | K | D | -2.6400 | |
| 121 | I | D | -1.6469 | |
| 122 | A | D | -1.5452 | |
| 123 | N | D | -1.4071 | |
| 124 | M | D | -1.2988 | |
| 125 | E | D | -2.2591 | |
| 126 | A | D | 0.0000 | |
| 127 | L | D | 0.0000 | |
| 128 | E | D | -2.9005 | |
| 129 | H | D | -2.2136 | |
| 130 | Y | D | 0.0000 | |
| 131 | R | D | -2.1973 | |
| 132 | K | D | -2.4604 | |
| 133 | I | D | 0.0000 | |
| 134 | Y | D | 0.0000 | |
| 135 | S | D | -1.9835 | |
| 136 | D | D | -2.0756 | |
| 137 | W | D | 0.0000 | |
| 138 | K | D | -2.3992 | |
| 139 | E | D | -2.7585 | |
| 140 | R | D | -2.3302 | |
| 141 | G | D | -1.9077 | |
| 142 | K | D | -1.6868 | |
| 143 | T | D | -0.7689 | |
| 144 | F | D | 0.0000 | |
| 145 | I | D | 0.0000 | |
| 146 | L | D | 0.0000 | |
| 147 | N | D | 0.0000 | |
| 148 | L | D | 0.0000 | |
| 149 | Y | D | 0.0000 | |
| 150 | H | D | 0.0000 | |
| 151 | W | D | 0.0000 | |
| 152 | P | D | 0.0000 | |
| 153 | L | D | 0.0000 | |
| 154 | P | D | 0.0000 | |
| 155 | L | D | -0.1536 | |
| 156 | W | D | -0.0083 | |
| 157 | I | D | 0.0000 | |
| 158 | H | D | 0.0000 | |
| 159 | D | D | -0.2313 | |
| 160 | P | D | 0.0000 | |
| 161 | I | D | -0.1499 | |
| 162 | A | D | -0.5116 | |
| 163 | V | D | 0.0000 | |
| 164 | R | D | 0.0000 | |
| 165 | K | D | -1.3512 | |
| 166 | L | D | -1.1015 | |
| 167 | G | D | 0.0000 | |
| 168 | P | D | -1.4209 | |
| 169 | D | D | -2.2439 | |
| 170 | R | D | -1.7633 | |
| 171 | A | D | -1.1683 | |
| 172 | P | D | -0.6265 | |
| 173 | A | D | 0.0000 | |
| 174 | G | D | 0.0000 | |
| 175 | W | D | 0.0000 | |
| 176 | L | D | -1.4083 | |
| 177 | D | D | -1.8642 | |
| 178 | E | D | -2.1237 | |
| 179 | K | D | -1.6728 | |
| 180 | T | D | 0.0000 | |
| 181 | V | D | 0.0000 | |
| 182 | V | D | -0.5009 | |
| 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 | -0.1875 | |
| 194 | H | D | -0.4463 | |
| 195 | L | D | 0.0000 | |
| 196 | D | D | -1.6556 | |
| 197 | D | D | -2.1917 | |
| 198 | L | D | 0.0000 | |
| 199 | V | D | 0.0000 | |
| 200 | D | D | -1.1234 | |
| 201 | M | D | -0.5491 | |
| 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 | -0.1340 | |
| 208 | P | D | 0.0000 | |
| 209 | N | D | -0.4105 | |
| 210 | V | D | -0.0974 | |
| 211 | V | D | 0.0255 | |
| 212 | Y | D | -0.4196 | |
| 213 | N | D | -0.6625 | |
| 214 | Q | D | -0.8135 | |
| 215 | G | D | 0.0000 | |
| 216 | Y | D | 0.0000 | |
| 217 | I | D | 0.0000 | |
| 218 | N | D | -1.0538 | |
| 219 | L | D | 0.0000 | |
| 220 | R | D | -2.2422 | |
| 221 | S | D | -1.1281 | |
| 222 | G | D | 0.0000 | |
| 223 | F | D | -0.1924 | |
| 224 | P | D | 0.0497 | |
| 225 | P | D | 0.0000 | |
| 226 | G | D | -0.3889 | |
| 227 | Y | D | -0.0544 | |
| 228 | L | D | 0.0000 | |
| 229 | S | D | 0.0000 | |
| 230 | F | D | -0.4270 | |
| 231 | E | D | -1.8842 | |
| 232 | A | D | -1.1672 | |
| 233 | A | D | 0.0000 | |
| 234 | E | D | -1.9680 | |
| 235 | K | D | -1.8278 | |
| 236 | A | D | 0.0000 | |
| 237 | K | D | -0.8335 | |
| 238 | F | D | -0.4426 | |
| 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 | -0.7885 | |
| 249 | D | D | -1.7208 | |
| 250 | A | D | 0.0000 | |
| 251 | I | D | 0.0000 | |
| 252 | K | D | -2.2336 | |
| 253 | E | D | -2.6607 | |
| 254 | Y | D | -1.3916 | |
| 255 | S | D | 0.0000 | |
| 256 | E | D | -2.6094 | |
| 257 | K | D | -1.7105 | |
| 258 | S | D | -1.0146 | |
| 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 | -0.1644 | |
| 265 | F | D | 0.0000 | |
| 266 | A | D | -0.0638 | |
| 267 | W | D | 0.0000 | |
| 268 | H | D | 0.0000 | |
| 269 | D | D | -0.3454 | |
| 270 | P | D | -0.8934 | |
| 271 | L | D | 0.6601 | |
| 272 | A | D | -0.9296 | |
| 273 | E | D | -2.9724 | |
| 274 | E | D | -3.3727 | |
| 275 | Y | D | -3.1532 | |
| 276 | K | D | -4.2928 | |
| 277 | D | D | -4.6399 | |
| 278 | E | D | -4.2455 | |
| 279 | V | D | 0.0000 | |
| 280 | E | D | -3.9711 | |
| 281 | E | D | -4.5824 | |
| 282 | I | D | -2.9462 | |
| 283 | R | D | -3.0436 | |
| 284 | K | D | -3.6930 | |
| 285 | K | D | -3.8679 | |
| 286 | D | D | -2.9328 | |
| 287 | Y | D | 0.0000 | |
| 288 | E | D | -2.8622 | |
| 289 | F | D | 0.0000 | |
| 290 | V | D | 0.0000 | |
| 291 | T | D | -1.3529 | |
| 292 | I | D | -0.6714 | |
| 293 | L | D | 0.0000 | |
| 294 | H | D | -1.6540 | |
| 295 | S | D | -1.3001 | |
| 296 | K | D | -1.9230 | |
| 297 | G | D | -1.7429 | |
| 298 | K | D | -1.4614 | |
| 299 | L | D | 0.0000 | |
| 300 | D | D | -0.7257 | |
| 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 | 0.3193 | |
| 308 | S | D | 0.0000 | |
| 309 | R | D | 0.0000 | |
| 310 | L | D | 0.5409 | |
| 311 | V | D | 0.0000 | |
| 312 | Y | D | 0.0000 | |
| 313 | G | D | 0.5593 | |
| 314 | A | D | -0.8061 | |
| 315 | K | D | -1.8644 | |
| 316 | D | D | -2.6734 | |
| 317 | G | D | -2.1577 | |
| 318 | H | D | -1.8047 | |
| 319 | L | D | 0.0000 | |
| 320 | V | D | 0.9577 | |
| 321 | P | D | 0.9154 | |
| 322 | L | D | 0.8958 | |
| 323 | P | D | -0.1111 | |
| 324 | G | D | -0.6957 | |
| 325 | Y | D | -0.1863 | |
| 326 | G | D | 0.0000 | |
| 327 | F | D | 0.5637 | |
| 328 | M | D | 0.1079 | |
| 329 | S | D | 0.0000 | |
| 330 | E | D | -2.9738 | |
| 331 | R | D | -3.1445 | |
| 332 | G | D | -2.2387 | |
| 333 | G | D | -1.4685 | |
| 334 | F | D | -1.2780 | |
| 335 | A | D | 0.0000 | |
| 336 | K | D | -2.1519 | |
| 337 | S | D | -1.1654 | |
| 338 | G | D | 0.0000 | |
| 339 | R | D | -1.0135 | |
| 340 | P | D | 0.0000 | |
| 341 | A | D | 0.0000 | |
| 342 | S | D | 0.0000 | |
| 343 | D | D | -2.2053 | |
| 344 | F | D | -1.1988 | |
| 345 | G | D | 0.0000 | |
| 346 | W | D | -0.2302 | |
| 347 | E | D | 0.0000 | |
| 348 | M | D | 0.0000 | |
| 349 | Y | D | -0.1176 | |
| 350 | P | D | 0.0000 | |
| 351 | E | D | -1.4789 | |
| 352 | G | D | 0.0000 | |
| 353 | L | D | 0.0000 | |
| 354 | E | D | -1.8608 | |
| 355 | N | D | -1.7732 | |
| 356 | L | D | 0.0000 | |
| 357 | L | D | 0.0000 | |
| 358 | K | D | -2.3234 | |
| 359 | Y | D | -1.1756 | |
| 360 | L | D | 0.0000 | |
| 361 | N | D | -1.9016 | |
| 362 | N | D | -2.1185 | |
| 363 | A | D | -1.1842 | |
| 364 | Y | D | 0.0000 | |
| 365 | E | D | -2.4467 | |
| 366 | L | D | -1.2864 | |
| 367 | P | D | -0.9785 | |
| 368 | M | D | 0.0000 | |
| 369 | I | D | 0.0000 | |
| 370 | I | D | 0.0000 | |
| 371 | T | D | 0.0000 | |
| 372 | E | D | -0.2028 | |
| 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 | -0.2411 | |
| 379 | A | D | 0.1943 | |
| 380 | D | D | 0.0000 | |
| 381 | R | D | -0.3447 | |
| 382 | Y | D | -0.0388 | |
| 383 | R | D | 0.0000 | |
| 384 | P | D | 0.0000 | |
| 385 | H | D | 0.0000 | |
| 386 | Y | D | 0.0000 | |
| 387 | L | D | 0.0800 | |
| 388 | V | D | 0.0000 | |
| 389 | S | D | 0.0000 | |
| 390 | H | D | 0.0000 | |
| 391 | L | D | 0.0000 | |
| 392 | K | D | -0.9798 | |
| 393 | A | D | 0.0000 | |
| 394 | V | D | 0.0000 | |
| 395 | Y | D | -0.8102 | |
| 396 | N | D | -1.7602 | |
| 397 | A | D | 0.0000 | |
| 398 | M | D | -1.9474 | |
| 399 | K | D | -2.8560 | |
| 400 | E | D | -3.1254 | |
| 401 | G | D | -2.3108 | |
| 402 | A | D | 0.0000 | |
| 403 | D | D | -1.9809 | |
| 404 | V | D | 0.0000 | |
| 405 | R | D | -1.7712 | |
| 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 | -0.6113 | |
| 418 | W | D | 0.0000 | |
| 419 | A | D | -0.4809 | |
| 420 | Q | D | -1.0780 | |
| 421 | G | D | 0.0000 | |
| 422 | F | D | -1.0217 | |
| 423 | R | D | -1.9469 | |
| 424 | M | D | -1.1720 | |
| 425 | R | D | -0.7862 | |
| 426 | F | D | 0.0000 | |
| 427 | G | D | 0.0000 | |
| 428 | L | D | 0.0000 | |
| 429 | V | D | 0.0000 | |
| 430 | Y | D | -0.2524 | |
| 431 | V | D | 0.0000 | |
| 432 | D | D | -1.5265 | |
| 433 | F | D | -1.7220 | |
| 434 | E | D | -2.4582 | |
| 435 | T | D | -1.7746 | |
| 436 | K | D | -1.7190 | |
| 437 | K | D | -2.3442 | |
| 438 | R | D | 0.0000 | |
| 439 | Y | D | -0.8746 | |
| 440 | L | D | -0.1767 | |
| 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 | -1.5599 | |
| 449 | E | D | -1.2142 | |
| 450 | I | D | 0.0000 | |
| 451 | A | D | 0.0000 | |
| 452 | T | D | -1.0877 | |
| 453 | Q | D | -1.2987 | |
| 454 | K | D | -1.6342 | |
| 455 | E | D | -1.4798 | |
| 456 | I | D | -1.0908 | |
| 457 | P | D | -1.4254 | |
| 458 | E | D | -2.2891 | |
| 459 | E | D | -1.9438 | |
| 460 | L | D | 0.0000 | |
| 461 | A | D | -1.6389 | |
| 462 | H | D | -1.8128 | |
| 463 | L | D | 0.0000 | |
| 464 | A | D | 0.0000 | |
| 465 | D | D | -2.3466 | |
| 466 | L | D | -1.6122 | |
| 467 | K | D | -2.2421 | |
| 468 | F | D | -0.9210 | |
| 469 | V | D | 0.0000 | |
| 470 | T | D | -1.3758 | |
| 471 | R | D | -2.2052 |
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 | -0.6275 | 2.971 | View | CSV | PDB |
| 4.5 | -0.7052 | 2.9289 | View | CSV | PDB |
| 5.0 | -0.8035 | 2.8726 | View | CSV | PDB |
| 5.5 | -0.9045 | 2.8115 | View | CSV | PDB |
| 6.0 | -0.9879 | 2.7549 | View | CSV | PDB |
| 6.5 | -1.037 | 2.7125 | View | CSV | PDB |
| 7.0 | -1.048 | 2.6887 | View | CSV | PDB |
| 7.5 | -1.0314 | 2.6787 | View | CSV | PDB |
| 8.0 | -0.9993 | 2.6752 | View | CSV | PDB |
| 8.5 | -0.957 | 2.6739 | View | CSV | PDB |
| 9.0 | -0.9057 | 2.7093 | 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