| Chain sequence(s) |
A: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR
C: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR B: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR D: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR input PDB |
| Selected Chain(s) | A,B,C,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:13)
[INFO] FoldX: Starting FoldX energy minimization (00:00:14)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:50:08)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ffe49ee551a029d/tmp/folded.pdb (00:50:08)
[INFO] Main: Simulation completed successfully. (01:32:32)
|
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 | -1.4852 | |
| 2 | K | A | -2.3876 | |
| 3 | F | A | 0.0000 | |
| 4 | P | A | -2.0737 | |
| 5 | K | A | -2.8580 | |
| 6 | N | A | -2.4134 | |
| 7 | F | A | 0.0000 | |
| 8 | M | A | -0.9353 | |
| 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 | -0.0492 | |
| 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 | -1.0986 | |
| 22 | L | A | -0.5269 | |
| 23 | P | A | -0.9001 | |
| 24 | G | A | -1.0190 | |
| 25 | S | A | 0.0000 | |
| 26 | E | A | -2.2245 | |
| 27 | V | A | -1.6078 | |
| 28 | E | A | -1.9223 | |
| 29 | S | A | 0.0000 | |
| 30 | D | A | 0.0000 | |
| 31 | W | A | 0.0000 | |
| 32 | W | A | 0.0125 | |
| 33 | V | A | 0.0793 | |
| 34 | W | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | H | A | -0.7149 | |
| 37 | D | A | -0.9705 | |
| 38 | K | A | -1.7149 | |
| 39 | E | A | -0.7748 | |
| 40 | N | A | 0.0000 | |
| 41 | I | A | -0.3871 | |
| 42 | A | A | -0.4035 | |
| 43 | S | A | 0.0000 | |
| 44 | G | A | -1.0442 | |
| 45 | L | A | 0.0000 | |
| 46 | V | A | 0.0000 | |
| 47 | S | A | -0.5135 | |
| 48 | G | A | -0.8160 | |
| 49 | D | A | -0.5931 | |
| 50 | L | A | -0.0429 | |
| 51 | P | A | 0.0000 | |
| 52 | E | A | -1.9105 | |
| 53 | N | A | -1.3319 | |
| 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 | -0.5946 | |
| 60 | L | A | -0.5280 | |
| 61 | Y | A | -1.0582 | |
| 62 | K | A | -1.8976 | |
| 63 | Q | A | -1.8045 | |
| 64 | D | A | 0.0000 | |
| 65 | H | A | 0.0000 | |
| 66 | D | A | -2.0686 | |
| 67 | I | A | -1.1333 | |
| 68 | A | A | 0.0000 | |
| 69 | E | A | -2.0894 | |
| 70 | K | A | -2.2567 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | 0.0000 | |
| 73 | M | A | 0.0000 | |
| 74 | D | A | -0.7970 | |
| 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 | -1.3690 | |
| 88 | K | A | -1.6471 | |
| 89 | P | A | -0.7967 | |
| 90 | T | A | 0.0000 | |
| 91 | F | A | -0.4101 | |
| 92 | D | A | -1.8393 | |
| 93 | V | A | 0.0000 | |
| 94 | K | A | -2.4669 | |
| 95 | V | A | -1.8413 | |
| 96 | D | A | -2.4974 | |
| 97 | V | A | -1.5307 | |
| 98 | E | A | -2.5178 | |
| 99 | K | A | -3.4436 | |
| 100 | D | A | -3.9677 | |
| 101 | E | A | -4.0161 | |
| 102 | E | A | -3.6148 | |
| 103 | G | A | -2.6290 | |
| 104 | N | A | -2.0538 | |
| 105 | I | A | 0.0000 | |
| 106 | I | A | 0.4374 | |
| 107 | S | A | -0.8087 | |
| 108 | V | A | -1.3627 | |
| 109 | D | A | -2.5645 | |
| 110 | V | A | 0.0000 | |
| 111 | P | A | -1.9638 | |
| 112 | E | A | -2.3616 | |
| 113 | S | A | -2.4105 | |
| 114 | T | A | 0.0000 | |
| 115 | I | A | 0.0000 | |
| 116 | K | A | -3.8017 | |
| 117 | E | A | -3.8654 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | -3.4540 | |
| 120 | K | A | -3.1431 | |
| 121 | I | A | -2.2038 | |
| 122 | A | A | -1.9334 | |
| 123 | N | A | -1.7593 | |
| 124 | M | A | -1.6123 | |
| 125 | E | A | -2.3336 | |
| 126 | A | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | E | A | -2.7607 | |
| 129 | H | A | -1.9828 | |
| 130 | Y | A | 0.0000 | |
| 131 | R | A | -1.9254 | |
| 132 | K | A | -2.2163 | |
| 133 | I | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | S | A | -1.7898 | |
| 136 | D | A | -1.9252 | |
| 137 | W | A | 0.0000 | |
| 138 | K | A | -2.2170 | |
| 139 | E | A | -2.5156 | |
| 140 | R | A | -2.0615 | |
| 141 | G | A | -1.6537 | |
| 142 | K | A | -1.3819 | |
| 143 | T | A | -0.5528 | |
| 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 | -0.0839 | |
| 151 | W | A | 0.1080 | |
| 152 | P | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | L | A | -0.3760 | |
| 156 | W | A | -0.1795 | |
| 157 | I | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | D | A | -0.4598 | |
| 160 | P | A | 0.0000 | |
| 161 | I | A | -0.0368 | |
| 162 | A | A | -0.4665 | |
| 163 | V | A | 0.0000 | |
| 164 | R | A | 0.0000 | |
| 165 | K | A | -0.7940 | |
| 166 | L | A | -0.4833 | |
| 167 | G | A | 0.0000 | |
| 168 | P | A | -1.4822 | |
| 169 | D | A | -2.4209 | |
| 170 | R | A | -2.0187 | |
| 171 | A | A | -1.3054 | |
| 172 | P | A | -0.9576 | |
| 173 | A | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | W | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | D | A | -2.6640 | |
| 178 | E | A | -2.8299 | |
| 179 | K | A | -2.0229 | |
| 180 | T | A | 0.0000 | |
| 181 | V | A | -0.6468 | |
| 182 | V | A | -0.6953 | |
| 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 | -0.1306 | |
| 194 | H | A | -0.5513 | |
| 195 | L | A | 0.0000 | |
| 196 | D | A | -1.5746 | |
| 197 | D | A | -2.1677 | |
| 198 | L | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | D | A | -1.2604 | |
| 201 | M | A | -0.5846 | |
| 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 | -0.2551 | |
| 208 | P | A | 0.0000 | |
| 209 | N | A | -0.4278 | |
| 210 | V | A | -0.2028 | |
| 211 | V | A | 0.0000 | |
| 212 | Y | A | -0.7705 | |
| 213 | N | A | -1.0305 | |
| 214 | Q | A | -0.8533 | |
| 215 | G | A | 0.0000 | |
| 216 | Y | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | N | A | -1.0670 | |
| 219 | L | A | 0.0000 | |
| 220 | R | A | -1.6895 | |
| 221 | S | A | -1.0133 | |
| 222 | G | A | 0.0000 | |
| 223 | F | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | G | A | -0.4888 | |
| 227 | Y | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | S | A | 0.0000 | |
| 230 | F | A | -0.7874 | |
| 231 | E | A | -2.1291 | |
| 232 | A | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | E | A | -2.5753 | |
| 235 | K | A | -2.0093 | |
| 236 | A | A | 0.0000 | |
| 237 | K | A | -1.3394 | |
| 238 | F | A | -0.2507 | |
| 239 | N | A | -0.8792 | |
| 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 | -0.7173 | |
| 249 | D | A | -1.5714 | |
| 250 | A | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | K | A | -1.9042 | |
| 253 | E | A | -1.6555 | |
| 254 | Y | A | -0.8723 | |
| 255 | S | A | 0.0000 | |
| 256 | E | A | -2.3518 | |
| 257 | K | A | -1.6124 | |
| 258 | S | A | -0.9450 | |
| 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 | -0.0884 | |
| 265 | F | A | 0.0000 | |
| 266 | A | A | -0.0994 | |
| 267 | W | A | 0.0000 | |
| 268 | H | A | 0.0000 | |
| 269 | D | A | -0.4879 | |
| 270 | P | A | -1.5474 | |
| 271 | L | A | 0.1040 | |
| 272 | A | A | -1.3654 | |
| 273 | E | A | -3.3129 | |
| 274 | E | A | -3.6934 | |
| 275 | Y | A | -3.3691 | |
| 276 | K | A | -4.6986 | |
| 277 | D | A | -5.0035 | |
| 278 | E | A | -4.5984 | |
| 279 | V | A | 0.0000 | |
| 280 | E | A | -5.0198 | |
| 281 | E | A | -5.0148 | |
| 282 | I | A | -3.4335 | |
| 283 | R | A | 0.0000 | |
| 284 | K | A | -4.1921 | |
| 285 | K | A | -4.0266 | |
| 286 | D | A | -2.9990 | |
| 287 | Y | A | 0.0000 | |
| 288 | E | A | -2.2276 | |
| 289 | F | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | T | A | -0.7449 | |
| 292 | I | A | 0.0863 | |
| 293 | L | A | 0.0000 | |
| 294 | H | A | -0.8398 | |
| 295 | S | A | -0.6994 | |
| 296 | K | A | -1.0333 | |
| 297 | G | A | -1.0880 | |
| 298 | K | A | -1.3053 | |
| 299 | L | A | -0.7325 | |
| 300 | D | A | -0.6310 | |
| 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 | 0.2005 | |
| 308 | S | A | 0.0000 | |
| 309 | R | A | 0.0444 | |
| 310 | L | A | 0.6372 | |
| 311 | V | A | 0.0000 | |
| 312 | Y | A | 0.0000 | |
| 313 | G | A | 0.0000 | |
| 314 | A | A | -1.1922 | |
| 315 | K | A | -2.7909 | |
| 316 | D | A | -2.8071 | |
| 317 | G | A | -2.0619 | |
| 318 | H | A | -1.3877 | |
| 319 | L | A | -0.4439 | |
| 320 | V | A | 1.4019 | |
| 321 | P | A | 1.0919 | |
| 322 | L | A | 0.9755 | |
| 323 | P | A | -0.0604 | |
| 324 | G | A | -0.6337 | |
| 325 | Y | A | -0.1181 | |
| 326 | G | A | 0.0000 | |
| 327 | F | A | 0.5715 | |
| 328 | M | A | 0.3240 | |
| 329 | S | A | 0.0000 | |
| 330 | E | A | -2.2850 | |
| 331 | R | A | -2.2605 | |
| 332 | G | A | -1.2027 | |
| 333 | G | A | -0.6752 | |
| 334 | F | A | -0.0223 | |
| 335 | A | A | -0.8927 | |
| 336 | K | A | -1.8332 | |
| 337 | S | A | -0.9376 | |
| 338 | G | A | -0.7891 | |
| 339 | R | A | -0.5423 | |
| 340 | P | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | D | A | -1.2927 | |
| 344 | F | A | -0.2211 | |
| 345 | G | A | 0.0000 | |
| 346 | W | A | 0.2296 | |
| 347 | E | A | 0.0000 | |
| 348 | M | A | 0.0000 | |
| 349 | Y | A | -0.1356 | |
| 350 | P | A | 0.0000 | |
| 351 | E | A | -1.3632 | |
| 352 | G | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | E | A | -1.7764 | |
| 355 | N | A | -1.9652 | |
| 356 | L | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | K | A | -2.1555 | |
| 359 | Y | A | -1.3376 | |
| 360 | L | A | 0.0000 | |
| 361 | N | A | -2.0746 | |
| 362 | N | A | -1.9871 | |
| 363 | A | A | -1.3534 | |
| 364 | Y | A | -1.0825 | |
| 365 | E | A | -2.3414 | |
| 366 | L | A | -1.0373 | |
| 367 | P | A | -0.9160 | |
| 368 | M | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | E | A | -0.2065 | |
| 373 | N | A | 0.0000 | |
| 374 | G | A | 0.0000 | |
| 375 | M | A | 0.0000 | |
| 376 | A | A | 0.0000 | |
| 377 | D | A | -0.7111 | |
| 378 | A | A | -0.3480 | |
| 379 | A | A | 0.0000 | |
| 380 | D | A | 0.0000 | |
| 381 | R | A | -0.4144 | |
| 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 | -0.9067 | |
| 393 | A | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | Y | A | -1.2175 | |
| 396 | N | A | -1.6475 | |
| 397 | A | A | 0.0000 | |
| 398 | M | A | -1.8748 | |
| 399 | K | A | -2.7081 | |
| 400 | E | A | -3.2167 | |
| 401 | G | A | -2.1969 | |
| 402 | A | A | 0.0000 | |
| 403 | D | A | -1.5974 | |
| 404 | V | A | 0.0000 | |
| 405 | R | A | -1.4519 | |
| 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 | -0.6068 | |
| 418 | W | A | -0.1270 | |
| 419 | A | A | -0.4883 | |
| 420 | Q | A | -1.3408 | |
| 421 | G | A | 0.0000 | |
| 422 | F | A | -0.7355 | |
| 423 | R | A | -1.7910 | |
| 424 | M | A | 0.0000 | |
| 425 | R | A | -0.7851 | |
| 426 | F | A | 0.0000 | |
| 427 | G | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | Y | A | -0.3115 | |
| 431 | V | A | 0.0000 | |
| 432 | D | A | -1.5838 | |
| 433 | F | A | 0.0000 | |
| 434 | E | A | -2.6235 | |
| 435 | T | A | -1.6751 | |
| 436 | K | A | -1.8023 | |
| 437 | K | A | -2.3081 | |
| 438 | R | A | -1.3769 | |
| 439 | Y | A | -1.0550 | |
| 440 | L | A | -0.3409 | |
| 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 | -1.0360 | |
| 449 | E | A | -0.7019 | |
| 450 | I | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | T | A | -1.1708 | |
| 453 | Q | A | -1.3788 | |
| 454 | K | A | -1.8680 | |
| 455 | E | A | -2.1364 | |
| 456 | I | A | 0.0000 | |
| 457 | P | A | -1.8092 | |
| 458 | E | A | -2.3936 | |
| 459 | E | A | -1.8618 | |
| 460 | L | A | 0.0000 | |
| 461 | A | A | -1.1563 | |
| 462 | H | A | -1.0160 | |
| 463 | L | A | -0.5353 | |
| 464 | A | A | -0.8092 | |
| 465 | D | A | -1.5431 | |
| 466 | L | A | 0.0000 | |
| 467 | K | A | -1.8204 | |
| 468 | F | A | -0.5702 | |
| 469 | V | A | 0.0000 | |
| 470 | T | A | -0.6492 | |
| 1 | A | B | -1.6848 | |
| 2 | K | B | -2.7113 | |
| 3 | F | B | 0.0000 | |
| 4 | P | B | -2.1512 | |
| 5 | K | B | -2.9689 | |
| 6 | N | B | -2.4590 | |
| 7 | F | B | 0.0000 | |
| 8 | M | B | -0.9806 | |
| 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 | -0.5773 | |
| 23 | P | B | -0.9462 | |
| 24 | G | B | -1.0397 | |
| 25 | S | B | 0.0000 | |
| 26 | E | B | -2.1909 | |
| 27 | V | B | -1.0795 | |
| 28 | E | B | -1.1782 | |
| 29 | S | B | 0.0000 | |
| 30 | D | B | 0.0000 | |
| 31 | W | B | 0.0000 | |
| 32 | W | B | -0.2387 | |
| 33 | V | B | -0.0024 | |
| 34 | W | B | 0.0000 | |
| 35 | V | B | 0.0000 | |
| 36 | H | B | -1.0443 | |
| 37 | D | B | -1.1159 | |
| 38 | K | B | -1.7638 | |
| 39 | E | B | -1.0055 | |
| 40 | N | B | 0.0000 | |
| 41 | I | B | -0.1392 | |
| 42 | A | B | -0.1717 | |
| 43 | S | B | 0.0000 | |
| 44 | G | B | -0.3733 | |
| 45 | L | B | 0.0000 | |
| 46 | V | B | 0.0000 | |
| 47 | S | B | -0.2279 | |
| 48 | G | B | -0.2774 | |
| 49 | D | B | -0.5842 | |
| 50 | L | B | 0.3925 | |
| 51 | P | B | -0.7000 | |
| 52 | E | B | -1.9014 | |
| 53 | N | B | -1.4637 | |
| 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 | -0.7100 | |
| 60 | L | B | -0.6041 | |
| 61 | Y | B | 0.0000 | |
| 62 | K | B | -2.7783 | |
| 63 | Q | B | -2.4630 | |
| 64 | D | B | 0.0000 | |
| 65 | H | B | 0.0000 | |
| 66 | D | B | -2.8195 | |
| 67 | I | B | 0.0000 | |
| 68 | A | B | 0.0000 | |
| 69 | E | B | -2.1492 | |
| 70 | K | B | -2.3840 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | -1.4676 | |
| 73 | M | B | 0.0000 | |
| 74 | D | B | -1.0804 | |
| 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 | -0.8294 | |
| 88 | K | B | -1.3935 | |
| 89 | P | B | -0.5606 | |
| 90 | T | B | 0.0000 | |
| 91 | F | B | -0.2422 | |
| 92 | D | B | -1.6936 | |
| 93 | V | B | 0.0000 | |
| 94 | K | B | -2.4749 | |
| 95 | V | B | 0.0000 | |
| 96 | D | B | -2.8504 | |
| 97 | V | B | -1.7382 | |
| 98 | E | B | -2.6368 | |
| 99 | K | B | -2.9747 | |
| 100 | D | B | -3.3348 | |
| 101 | E | B | -3.6573 | |
| 102 | E | B | -3.4545 | |
| 103 | G | B | -2.4675 | |
| 104 | N | B | -1.6506 | |
| 105 | I | B | 0.0000 | |
| 106 | I | B | 0.5886 | |
| 107 | S | B | -0.6573 | |
| 108 | V | B | -1.3476 | |
| 109 | D | B | -2.5225 | |
| 110 | V | B | 0.0000 | |
| 111 | P | B | -1.9210 | |
| 112 | E | B | -2.2434 | |
| 113 | S | B | -1.9511 | |
| 114 | T | B | 0.0000 | |
| 115 | I | B | 0.0000 | |
| 116 | K | B | -3.0271 | |
| 117 | E | B | -3.1496 | |
| 118 | L | B | 0.0000 | |
| 119 | E | B | -2.8652 | |
| 120 | K | B | -2.9505 | |
| 121 | I | B | -1.9438 | |
| 122 | A | B | -1.5667 | |
| 123 | N | B | -1.6515 | |
| 124 | M | B | -1.7729 | |
| 125 | E | B | -2.4879 | |
| 126 | A | B | 0.0000 | |
| 127 | L | B | 0.0000 | |
| 128 | E | B | -3.1097 | |
| 129 | H | B | -2.3661 | |
| 130 | Y | B | 0.0000 | |
| 131 | R | B | -2.2267 | |
| 132 | K | B | -2.7290 | |
| 133 | I | B | 0.0000 | |
| 134 | Y | B | 0.0000 | |
| 135 | S | B | -2.0592 | |
| 136 | D | B | -2.1320 | |
| 137 | W | B | 0.0000 | |
| 138 | K | B | -2.1893 | |
| 139 | E | B | -2.4227 | |
| 140 | R | B | -1.9300 | |
| 141 | G | B | -1.5374 | |
| 142 | K | B | -1.3557 | |
| 143 | T | B | -0.7897 | |
| 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 | -0.0856 | |
| 151 | W | B | 0.0000 | |
| 152 | P | B | 0.0000 | |
| 153 | L | B | 0.0000 | |
| 154 | P | B | 0.0000 | |
| 155 | L | B | 0.2689 | |
| 156 | W | B | -0.1034 | |
| 157 | I | B | 0.0000 | |
| 158 | H | B | 0.0000 | |
| 159 | D | B | -0.4215 | |
| 160 | P | B | 0.0000 | |
| 161 | I | B | -0.0345 | |
| 162 | A | B | -0.4789 | |
| 163 | V | B | 0.0000 | |
| 164 | R | B | 0.0000 | |
| 165 | K | B | -0.1840 | |
| 166 | L | B | 0.0269 | |
| 167 | G | B | 0.0000 | |
| 168 | P | B | -1.5725 | |
| 169 | D | B | -2.7600 | |
| 170 | R | B | -2.5452 | |
| 171 | A | B | -1.4456 | |
| 172 | P | B | -0.9567 | |
| 173 | A | B | 0.0000 | |
| 174 | G | B | 0.0000 | |
| 175 | W | B | 0.0000 | |
| 176 | L | B | 0.0000 | |
| 177 | D | B | -2.3867 | |
| 178 | E | B | -2.6908 | |
| 179 | K | B | -1.8998 | |
| 180 | T | B | 0.0000 | |
| 181 | V | B | -0.5863 | |
| 182 | V | B | -0.7331 | |
| 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 | -0.2398 | |
| 194 | H | B | -0.6008 | |
| 195 | L | B | 0.0000 | |
| 196 | D | B | -1.5504 | |
| 197 | D | B | -2.1521 | |
| 198 | L | B | 0.0000 | |
| 199 | V | B | 0.0000 | |
| 200 | D | B | -1.0964 | |
| 201 | M | B | -0.5720 | |
| 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 | 0.0000 | |
| 208 | P | B | 0.0000 | |
| 209 | N | B | -0.4043 | |
| 210 | V | B | 0.0291 | |
| 211 | V | B | -0.1114 | |
| 212 | Y | B | 0.0000 | |
| 213 | N | B | -0.9567 | |
| 214 | Q | B | -0.8546 | |
| 215 | G | B | 0.0000 | |
| 216 | Y | B | 0.0000 | |
| 217 | I | B | -0.7535 | |
| 218 | N | B | -1.0897 | |
| 219 | L | B | 0.0000 | |
| 220 | R | B | -2.2849 | |
| 221 | S | B | -1.2660 | |
| 222 | G | B | 0.0000 | |
| 223 | F | B | 0.0000 | |
| 224 | P | B | -0.0770 | |
| 225 | P | B | 0.0000 | |
| 226 | G | B | -0.2433 | |
| 227 | Y | B | -0.1151 | |
| 228 | L | B | 0.0000 | |
| 229 | S | B | -1.3056 | |
| 230 | F | B | -1.4212 | |
| 231 | E | B | -2.6286 | |
| 232 | A | B | 0.0000 | |
| 233 | A | B | 0.0000 | |
| 234 | E | B | -2.8908 | |
| 235 | K | B | -2.2878 | |
| 236 | A | B | 0.0000 | |
| 237 | K | B | -1.3432 | |
| 238 | F | B | 0.0757 | |
| 239 | N | B | -0.5028 | |
| 240 | L | B | 0.0000 | |
| 241 | I | B | 0.4876 | |
| 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 | -0.4409 | |
| 249 | D | B | -1.0025 | |
| 250 | A | B | 0.0000 | |
| 251 | I | B | 0.0000 | |
| 252 | K | B | -1.7513 | |
| 253 | E | B | -1.8982 | |
| 254 | Y | B | -0.9495 | |
| 255 | S | B | 0.0000 | |
| 256 | E | B | -2.3070 | |
| 257 | K | B | -1.6084 | |
| 258 | S | B | -0.9580 | |
| 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 | 0.0148 | |
| 265 | F | B | 0.0000 | |
| 266 | A | B | 0.0507 | |
| 267 | W | B | 0.0000 | |
| 268 | H | B | 0.0000 | |
| 269 | D | B | -0.1766 | |
| 270 | P | B | -0.9898 | |
| 271 | L | B | 0.2944 | |
| 272 | A | B | -1.2291 | |
| 273 | E | B | -3.1034 | |
| 274 | E | B | -3.3902 | |
| 275 | Y | B | -2.7097 | |
| 276 | K | B | -4.0009 | |
| 277 | D | B | -4.3991 | |
| 278 | E | B | -3.9493 | |
| 279 | V | B | 0.0000 | |
| 280 | E | B | -3.4929 | |
| 281 | E | B | -4.3020 | |
| 282 | I | B | -3.1170 | |
| 283 | R | B | 0.0000 | |
| 284 | K | B | -3.8795 | |
| 285 | K | B | -3.8962 | |
| 286 | D | B | -3.0242 | |
| 287 | Y | B | 0.0000 | |
| 288 | E | B | -2.6005 | |
| 289 | F | B | 0.0000 | |
| 290 | V | B | 0.0000 | |
| 291 | T | B | -1.1386 | |
| 292 | I | B | -0.5116 | |
| 293 | L | B | 0.0000 | |
| 294 | H | B | -1.1191 | |
| 295 | S | B | -0.9911 | |
| 296 | K | B | -1.3984 | |
| 297 | G | B | -1.3147 | |
| 298 | K | B | -1.0620 | |
| 299 | L | B | 0.0000 | |
| 300 | D | B | -0.6473 | |
| 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 | 0.0000 | |
| 308 | S | B | 0.0000 | |
| 309 | R | B | 0.0000 | |
| 310 | L | B | 0.8135 | |
| 311 | V | B | 0.0000 | |
| 312 | Y | B | 0.0000 | |
| 313 | G | B | 0.0000 | |
| 314 | A | B | -1.2926 | |
| 315 | K | B | -2.6848 | |
| 316 | D | B | -2.9486 | |
| 317 | G | B | -2.0945 | |
| 318 | H | B | -1.6265 | |
| 319 | L | B | -0.6157 | |
| 320 | V | B | 0.1258 | |
| 321 | P | B | 0.2729 | |
| 322 | L | B | 0.4158 | |
| 323 | P | B | -0.0662 | |
| 324 | G | B | -0.3487 | |
| 325 | Y | B | 0.1063 | |
| 326 | G | B | 0.0000 | |
| 327 | F | B | 1.1577 | |
| 328 | M | B | 0.7021 | |
| 329 | S | B | 0.0000 | |
| 330 | E | B | -2.4481 | |
| 331 | R | B | -2.6405 | |
| 332 | G | B | -1.8214 | |
| 333 | G | B | -1.1064 | |
| 334 | F | B | -0.3151 | |
| 335 | A | B | 0.0000 | |
| 336 | K | B | -1.8672 | |
| 337 | S | B | -0.9702 | |
| 338 | G | B | -0.9918 | |
| 339 | R | B | -0.6784 | |
| 340 | P | B | 0.0000 | |
| 341 | A | B | 0.0000 | |
| 342 | S | B | 0.0000 | |
| 343 | D | B | -1.6895 | |
| 344 | F | B | -0.5644 | |
| 345 | G | B | 0.0000 | |
| 346 | W | B | 0.2317 | |
| 347 | E | B | 0.0000 | |
| 348 | M | B | 0.0000 | |
| 349 | Y | B | -0.1213 | |
| 350 | P | B | 0.0000 | |
| 351 | E | B | -1.0399 | |
| 352 | G | B | 0.0000 | |
| 353 | L | B | 0.0000 | |
| 354 | E | B | -1.4787 | |
| 355 | N | B | -1.5532 | |
| 356 | L | B | 0.0000 | |
| 357 | L | B | 0.0000 | |
| 358 | K | B | -2.7789 | |
| 359 | Y | B | -1.4474 | |
| 360 | L | B | 0.0000 | |
| 361 | N | B | -2.5274 | |
| 362 | N | B | -2.2464 | |
| 363 | A | B | -1.3794 | |
| 364 | Y | B | -1.1159 | |
| 365 | E | B | -2.5321 | |
| 366 | L | B | -1.1878 | |
| 367 | P | B | -1.0748 | |
| 368 | M | B | 0.0000 | |
| 369 | I | B | 0.0000 | |
| 370 | I | B | 0.0000 | |
| 371 | T | B | 0.0000 | |
| 372 | E | B | -0.1701 | |
| 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 | -0.6581 | |
| 379 | A | B | 0.0000 | |
| 380 | D | B | 0.0000 | |
| 381 | R | B | -0.6663 | |
| 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 | -1.1816 | |
| 393 | A | B | 0.0000 | |
| 394 | V | B | 0.0000 | |
| 395 | Y | B | -1.0144 | |
| 396 | N | B | -1.6118 | |
| 397 | A | B | 0.0000 | |
| 398 | M | B | -1.7640 | |
| 399 | K | B | -2.4472 | |
| 400 | E | B | -2.7105 | |
| 401 | G | B | -2.5248 | |
| 402 | A | B | 0.0000 | |
| 403 | D | B | -2.2386 | |
| 404 | V | B | 0.0000 | |
| 405 | R | B | -1.7144 | |
| 406 | G | B | 0.0000 | |
| 407 | Y | B | 0.0000 | |
| 408 | L | B | 0.0000 | |
| 409 | H | B | 0.0000 | |
| 410 | W | B | 0.0732 | |
| 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 | -0.6232 | |
| 418 | W | B | 0.0000 | |
| 419 | A | B | -0.5186 | |
| 420 | Q | B | -0.8305 | |
| 421 | G | B | 0.0000 | |
| 422 | F | B | 0.0000 | |
| 423 | R | B | -1.9683 | |
| 424 | M | B | 0.0000 | |
| 425 | R | B | 0.0000 | |
| 426 | F | B | 0.0000 | |
| 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 | -1.6615 | |
| 433 | F | B | -1.7081 | |
| 434 | E | B | -2.4497 | |
| 435 | T | B | -1.5520 | |
| 436 | K | B | -1.6680 | |
| 437 | K | B | -2.1200 | |
| 438 | R | B | -1.4565 | |
| 439 | Y | B | -0.9262 | |
| 440 | L | B | 0.0000 | |
| 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 | -1.0746 | |
| 449 | E | B | -0.9276 | |
| 450 | I | B | 0.0000 | |
| 451 | A | B | 0.0000 | |
| 452 | T | B | -1.6575 | |
| 453 | Q | B | -2.2856 | |
| 454 | K | B | -2.5803 | |
| 455 | E | B | -2.7830 | |
| 456 | I | B | 0.0000 | |
| 457 | P | B | -2.1208 | |
| 458 | E | B | -2.5239 | |
| 459 | E | B | -2.1852 | |
| 460 | L | B | 0.0000 | |
| 461 | A | B | -1.0493 | |
| 462 | H | B | 0.0000 | |
| 463 | L | B | 0.0000 | |
| 464 | A | B | -1.0290 | |
| 465 | D | B | -1.0953 | |
| 466 | L | B | 0.0000 | |
| 467 | K | B | -1.8078 | |
| 468 | F | B | -0.6271 | |
| 469 | V | B | 0.0000 | |
| 470 | T | B | -0.5095 | |
| 1 | A | C | -1.4975 | |
| 2 | K | C | -2.2603 | |
| 3 | F | C | 0.0000 | |
| 4 | P | C | -1.9904 | |
| 5 | K | C | -2.6700 | |
| 6 | N | C | -2.2860 | |
| 7 | F | C | 0.0000 | |
| 8 | M | C | -0.9793 | |
| 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 | -1.5311 | |
| 22 | L | C | -0.8016 | |
| 23 | P | C | -1.0193 | |
| 24 | G | C | -1.1717 | |
| 25 | S | C | 0.0000 | |
| 26 | E | C | -2.5764 | |
| 27 | V | C | -1.8019 | |
| 28 | E | C | -1.8786 | |
| 29 | S | C | 0.0000 | |
| 30 | D | C | 0.0000 | |
| 31 | W | C | 0.0000 | |
| 32 | W | C | -0.2995 | |
| 33 | V | C | -0.1640 | |
| 34 | W | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | H | C | -1.5693 | |
| 37 | D | C | -1.3473 | |
| 38 | K | C | -1.9398 | |
| 39 | E | C | -0.9750 | |
| 40 | N | C | 0.0000 | |
| 41 | I | C | -0.7588 | |
| 42 | A | C | -0.3850 | |
| 43 | S | C | 0.0000 | |
| 44 | G | C | -0.5635 | |
| 45 | L | C | 0.0000 | |
| 46 | V | C | 0.0000 | |
| 47 | S | C | -0.7180 | |
| 48 | G | C | -1.1679 | |
| 49 | D | C | -1.6697 | |
| 50 | L | C | -1.1696 | |
| 51 | P | C | 0.0000 | |
| 52 | E | C | -2.6699 | |
| 53 | N | C | -2.1754 | |
| 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 | -1.3816 | |
| 60 | L | C | -1.3465 | |
| 61 | Y | C | 0.0000 | |
| 62 | K | C | -2.7055 | |
| 63 | Q | C | -2.7418 | |
| 64 | D | C | 0.0000 | |
| 65 | H | C | 0.0000 | |
| 66 | D | C | -3.0836 | |
| 67 | I | C | -1.8799 | |
| 68 | A | C | 0.0000 | |
| 69 | E | C | -2.1662 | |
| 70 | K | C | -2.1756 | |
| 71 | L | C | 0.0000 | |
| 72 | G | C | -1.3706 | |
| 73 | M | C | 0.0000 | |
| 74 | D | C | -1.1924 | |
| 75 | C | C | 0.0000 | |
| 76 | I | C | 0.0000 | |
| 77 | R | C | 0.0000 | |
| 78 | G | C | 0.0000 | |
| 79 | G | C | -0.1112 | |
| 80 | I | C | 0.0000 | |
| 81 | E | C | -0.1621 | |
| 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 | -1.0398 | |
| 88 | K | C | -1.7251 | |
| 89 | P | C | -0.8179 | |
| 90 | T | C | 0.0000 | |
| 91 | F | C | -0.8033 | |
| 92 | D | C | -1.8380 | |
| 93 | V | C | 0.0000 | |
| 94 | K | C | -2.3342 | |
| 95 | V | C | -1.6319 | |
| 96 | D | C | -2.7904 | |
| 97 | V | C | -1.9518 | |
| 98 | E | C | -3.0724 | |
| 99 | K | C | -3.7325 | |
| 100 | D | C | -3.9835 | |
| 101 | E | C | -3.9521 | |
| 102 | E | C | -3.6754 | |
| 103 | G | C | -2.7230 | |
| 104 | N | C | -2.1917 | |
| 105 | I | C | 0.0000 | |
| 106 | I | C | -0.0003 | |
| 107 | S | C | -1.1795 | |
| 108 | V | C | 0.0000 | |
| 109 | D | C | -2.9155 | |
| 110 | V | C | 0.0000 | |
| 111 | P | C | -1.9456 | |
| 112 | E | C | -2.7648 | |
| 113 | S | C | -1.9950 | |
| 114 | T | C | -2.3929 | |
| 115 | I | C | 0.0000 | |
| 116 | K | C | -3.6009 | |
| 117 | E | C | -3.3849 | |
| 118 | L | C | 0.0000 | |
| 119 | E | C | -3.0488 | |
| 120 | K | C | -3.0894 | |
| 121 | I | C | -1.6762 | |
| 122 | A | C | -1.6417 | |
| 123 | N | C | -1.6205 | |
| 124 | M | C | -1.6918 | |
| 125 | E | C | -2.4333 | |
| 126 | A | C | 0.0000 | |
| 127 | L | C | 0.0000 | |
| 128 | E | C | -2.9719 | |
| 129 | H | C | -2.2103 | |
| 130 | Y | C | 0.0000 | |
| 131 | R | C | -1.9063 | |
| 132 | K | C | -2.1732 | |
| 133 | I | C | 0.0000 | |
| 134 | Y | C | 0.0000 | |
| 135 | S | C | -1.5252 | |
| 136 | D | C | 0.0000 | |
| 137 | W | C | 0.0000 | |
| 138 | K | C | -1.9401 | |
| 139 | E | C | -2.4661 | |
| 140 | R | C | -2.0863 | |
| 141 | G | C | -1.5849 | |
| 142 | K | C | -1.5271 | |
| 143 | T | C | -0.7914 | |
| 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 | -0.1153 | |
| 151 | W | C | 0.0583 | |
| 152 | P | C | 0.0000 | |
| 153 | L | C | 0.0000 | |
| 154 | P | C | 0.0000 | |
| 155 | L | C | 0.5492 | |
| 156 | W | C | 0.2385 | |
| 157 | I | C | 0.0000 | |
| 158 | H | C | 0.0000 | |
| 159 | D | C | -0.5206 | |
| 160 | P | C | 0.0000 | |
| 161 | I | C | 0.2240 | |
| 162 | A | C | -0.4754 | |
| 163 | V | C | 0.0000 | |
| 164 | R | C | -0.3476 | |
| 165 | K | C | -0.7683 | |
| 166 | L | C | -0.8711 | |
| 167 | G | C | 0.0000 | |
| 168 | P | C | -1.7350 | |
| 169 | D | C | -2.6542 | |
| 170 | R | C | -2.6993 | |
| 171 | A | C | -1.6432 | |
| 172 | P | C | -1.2044 | |
| 173 | A | C | 0.0000 | |
| 174 | G | C | 0.0000 | |
| 175 | W | C | 0.0000 | |
| 176 | L | C | -1.5490 | |
| 177 | D | C | -2.1774 | |
| 178 | E | C | -2.5868 | |
| 179 | K | C | -1.9888 | |
| 180 | T | C | 0.0000 | |
| 181 | V | C | -0.6421 | |
| 182 | V | C | -0.6570 | |
| 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 | 0.1937 | |
| 194 | H | C | -0.3820 | |
| 195 | L | C | 0.0000 | |
| 196 | D | C | -1.3737 | |
| 197 | D | C | -2.0339 | |
| 198 | L | C | -1.4142 | |
| 199 | V | C | 0.0000 | |
| 200 | D | C | -1.4332 | |
| 201 | M | C | -0.7293 | |
| 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 | -0.1066 | |
| 208 | P | C | 0.0000 | |
| 209 | N | C | 0.0000 | |
| 210 | V | C | -0.0262 | |
| 211 | V | C | 0.0000 | |
| 212 | Y | C | 0.0000 | |
| 213 | N | C | -0.4492 | |
| 214 | Q | C | -0.5116 | |
| 215 | G | C | 0.0000 | |
| 216 | Y | C | 0.0000 | |
| 217 | I | C | -0.2961 | |
| 218 | N | C | -0.3738 | |
| 219 | L | C | -0.2890 | |
| 220 | R | C | -0.8429 | |
| 221 | S | C | -0.3750 | |
| 222 | G | C | 0.0000 | |
| 223 | F | C | 0.0000 | |
| 224 | P | C | 0.0000 | |
| 225 | P | C | 0.0000 | |
| 226 | G | C | 0.0000 | |
| 227 | Y | C | 0.0000 | |
| 228 | L | C | 0.0000 | |
| 229 | S | C | 0.0000 | |
| 230 | F | C | -0.6307 | |
| 231 | E | C | -2.2073 | |
| 232 | A | C | 0.0000 | |
| 233 | A | C | 0.0000 | |
| 234 | E | C | -2.5212 | |
| 235 | K | C | -2.1421 | |
| 236 | A | C | 0.0000 | |
| 237 | K | C | -1.2828 | |
| 238 | F | C | -0.1686 | |
| 239 | N | C | -0.6391 | |
| 240 | L | C | 0.0000 | |
| 241 | I | C | 0.0000 | |
| 242 | Q | C | 0.0000 | |
| 243 | A | C | 0.0000 | |
| 244 | H | C | 0.0000 | |
| 245 | I | C | 0.0000 | |
| 246 | G | C | 0.0000 | |
| 247 | A | C | 0.0000 | |
| 248 | Y | C | -0.7536 | |
| 249 | D | C | -1.3849 | |
| 250 | A | C | 0.0000 | |
| 251 | I | C | 0.0000 | |
| 252 | K | C | -1.9796 | |
| 253 | E | C | -2.2160 | |
| 254 | Y | C | -1.0405 | |
| 255 | S | C | 0.0000 | |
| 256 | E | C | -2.4323 | |
| 257 | K | C | -1.6168 | |
| 258 | S | C | -0.9035 | |
| 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 | -0.0233 | |
| 265 | F | C | 0.0000 | |
| 266 | A | C | -0.0083 | |
| 267 | W | C | 0.0000 | |
| 268 | H | C | 0.0000 | |
| 269 | D | C | -0.4041 | |
| 270 | P | C | -1.2139 | |
| 271 | L | C | 0.5645 | |
| 272 | A | C | -1.2916 | |
| 273 | E | C | -3.3263 | |
| 274 | E | C | -3.3259 | |
| 275 | Y | C | -2.8339 | |
| 276 | K | C | -4.3910 | |
| 277 | D | C | -4.8512 | |
| 278 | E | C | -4.2580 | |
| 279 | V | C | 0.0000 | |
| 280 | E | C | -4.5914 | |
| 281 | E | C | -4.6382 | |
| 282 | I | C | -2.8606 | |
| 283 | R | C | 0.0000 | |
| 284 | K | C | -3.3684 | |
| 285 | K | C | -3.4454 | |
| 286 | D | C | -2.1160 | |
| 287 | Y | C | 0.0000 | |
| 288 | E | C | -2.1946 | |
| 289 | F | C | 0.0000 | |
| 290 | V | C | 0.0000 | |
| 291 | T | C | -0.8207 | |
| 292 | I | C | -0.3013 | |
| 293 | L | C | 0.0000 | |
| 294 | H | C | -0.9480 | |
| 295 | S | C | -0.7545 | |
| 296 | K | C | -1.1212 | |
| 297 | G | C | -1.2472 | |
| 298 | K | C | -1.2826 | |
| 299 | L | C | 0.0000 | |
| 300 | D | C | -0.6419 | |
| 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 | 0.2604 | |
| 308 | S | C | 0.0000 | |
| 309 | R | C | 0.0330 | |
| 310 | L | C | 0.2801 | |
| 311 | V | C | 0.0000 | |
| 312 | Y | C | 0.0000 | |
| 313 | G | C | 0.0000 | |
| 314 | A | C | -1.0871 | |
| 315 | K | C | -1.8920 | |
| 316 | D | C | -2.5889 | |
| 317 | G | C | -1.8575 | |
| 318 | H | C | -1.7122 | |
| 319 | L | C | -0.7080 | |
| 320 | V | C | -0.0459 | |
| 321 | P | C | 0.2708 | |
| 322 | L | C | 0.5818 | |
| 323 | P | C | -0.3358 | |
| 324 | G | C | -0.7288 | |
| 325 | Y | C | -0.2699 | |
| 326 | G | C | 0.0000 | |
| 327 | F | C | 0.5429 | |
| 328 | M | C | -0.0870 | |
| 329 | S | C | 0.0000 | |
| 330 | E | C | -2.7288 | |
| 331 | R | C | -2.8632 | |
| 332 | G | C | -1.7804 | |
| 333 | G | C | -1.3571 | |
| 334 | F | C | -0.6167 | |
| 335 | A | C | 0.0000 | |
| 336 | K | C | -1.9748 | |
| 337 | S | C | -1.0341 | |
| 338 | G | C | -0.9692 | |
| 339 | R | C | -0.6522 | |
| 340 | P | C | 0.0000 | |
| 341 | A | C | 0.0000 | |
| 342 | S | C | 0.0000 | |
| 343 | D | C | -1.9305 | |
| 344 | F | C | -0.9803 | |
| 345 | G | C | 0.0000 | |
| 346 | W | C | -0.1563 | |
| 347 | E | C | 0.0000 | |
| 348 | M | C | 0.0000 | |
| 349 | Y | C | -0.0839 | |
| 350 | P | C | -0.7498 | |
| 351 | E | C | -1.0218 | |
| 352 | G | C | 0.0000 | |
| 353 | L | C | 0.0000 | |
| 354 | E | C | -1.2716 | |
| 355 | N | C | -1.1363 | |
| 356 | L | C | 0.0000 | |
| 357 | L | C | 0.0000 | |
| 358 | K | C | -1.9449 | |
| 359 | Y | C | -0.8926 | |
| 360 | L | C | 0.0000 | |
| 361 | N | C | -2.0294 | |
| 362 | N | C | -1.8702 | |
| 363 | A | C | -1.0802 | |
| 364 | Y | C | -1.0881 | |
| 365 | E | C | -2.1082 | |
| 366 | L | C | -0.9445 | |
| 367 | P | C | -0.7581 | |
| 368 | M | C | 0.0000 | |
| 369 | I | C | 0.0000 | |
| 370 | I | C | 0.0000 | |
| 371 | T | C | 0.0000 | |
| 372 | E | C | 0.0000 | |
| 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 | -0.4362 | |
| 379 | A | C | 0.0000 | |
| 380 | D | C | 0.0000 | |
| 381 | R | C | -0.2426 | |
| 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 | -1.6341 | |
| 393 | A | C | 0.0000 | |
| 394 | V | C | 0.0000 | |
| 395 | Y | C | -1.6318 | |
| 396 | N | C | -2.5855 | |
| 397 | A | C | 0.0000 | |
| 398 | M | C | -2.2197 | |
| 399 | K | C | -3.0445 | |
| 400 | E | C | -3.2568 | |
| 401 | G | C | -2.3743 | |
| 402 | A | C | 0.0000 | |
| 403 | D | C | -1.4535 | |
| 404 | V | C | 0.0000 | |
| 405 | R | C | -1.4385 | |
| 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 | -0.6176 | |
| 418 | W | C | 0.0000 | |
| 419 | A | C | 0.0000 | |
| 420 | Q | C | -0.8415 | |
| 421 | G | C | 0.0000 | |
| 422 | F | C | -1.0531 | |
| 423 | R | C | -2.0078 | |
| 424 | M | C | -1.0377 | |
| 425 | R | C | -0.6931 | |
| 426 | F | C | 0.0000 | |
| 427 | G | C | 0.0000 | |
| 428 | L | C | 0.0000 | |
| 429 | V | C | 0.0000 | |
| 430 | Y | C | -0.2598 | |
| 431 | V | C | 0.0000 | |
| 432 | D | C | -1.4513 | |
| 433 | F | C | -1.4469 | |
| 434 | E | C | -2.3172 | |
| 435 | T | C | -1.6286 | |
| 436 | K | C | 0.0000 | |
| 437 | K | C | -2.2537 | |
| 438 | R | C | -1.2799 | |
| 439 | Y | C | -0.9830 | |
| 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 | -1.1087 | |
| 449 | E | C | -1.1743 | |
| 450 | I | C | 0.0000 | |
| 451 | A | C | 0.0000 | |
| 452 | T | C | -1.4416 | |
| 453 | Q | C | -2.1108 | |
| 454 | K | C | -2.1233 | |
| 455 | E | C | -2.2969 | |
| 456 | I | C | 0.0000 | |
| 457 | P | C | -2.0643 | |
| 458 | E | C | -2.7179 | |
| 459 | E | C | -2.7746 | |
| 460 | L | C | 0.0000 | |
| 461 | A | C | -1.7369 | |
| 462 | H | C | 0.0000 | |
| 463 | L | C | 0.0000 | |
| 464 | A | C | 0.0000 | |
| 465 | D | C | -2.1915 | |
| 466 | L | C | 0.0000 | |
| 467 | K | C | -1.9373 | |
| 468 | F | C | -0.4285 | |
| 469 | V | C | 0.0000 | |
| 470 | T | C | -0.6278 | |
| 1 | A | D | -1.1601 | |
| 2 | K | D | -2.3631 | |
| 3 | F | D | 0.0000 | |
| 4 | P | D | -1.7405 | |
| 5 | K | D | -2.4210 | |
| 6 | N | D | -1.8037 | |
| 7 | F | D | 0.0000 | |
| 8 | M | D | -0.7154 | |
| 9 | F | D | 0.0000 | |
| 10 | G | D | 0.0000 | |
| 11 | Y | D | 0.0000 | |
| 12 | S | D | 0.0000 | |
| 13 | W | D | 0.0000 | |
| 14 | S | D | 0.0000 | |
| 15 | G | D | 0.0000 | |
| 16 | F | D | 0.0000 | |
| 17 | Q | D | 0.0000 | |
| 18 | F | D | 0.0000 | |
| 19 | E | D | 0.0000 | |
| 20 | M | D | 0.0000 | |
| 21 | G | D | -1.4046 | |
| 22 | L | D | -0.3955 | |
| 23 | P | D | -0.8711 | |
| 24 | G | D | -0.9319 | |
| 25 | S | D | 0.0000 | |
| 26 | E | D | -2.4321 | |
| 27 | V | D | -1.5071 | |
| 28 | E | D | -1.8800 | |
| 29 | S | D | 0.0000 | |
| 30 | D | D | 0.0000 | |
| 31 | W | D | 0.0000 | |
| 32 | W | D | 0.0000 | |
| 33 | V | D | -0.4055 | |
| 34 | W | D | 0.0000 | |
| 35 | V | D | 0.0000 | |
| 36 | H | D | -0.9697 | |
| 37 | D | D | -1.3919 | |
| 38 | K | D | -2.0793 | |
| 39 | E | D | -1.1077 | |
| 40 | N | D | 0.0000 | |
| 41 | I | D | 0.0000 | |
| 42 | A | D | -0.5686 | |
| 43 | S | D | -0.5390 | |
| 44 | G | D | -0.6148 | |
| 45 | L | D | 0.0000 | |
| 46 | V | D | 0.0000 | |
| 47 | S | D | -0.6940 | |
| 48 | G | D | 0.0000 | |
| 49 | D | D | -1.7413 | |
| 50 | L | D | -1.0053 | |
| 51 | P | D | 0.0000 | |
| 52 | E | D | -2.5685 | |
| 53 | N | D | -2.2843 | |
| 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 | -0.7793 | |
| 60 | L | D | -0.7639 | |
| 61 | Y | D | 0.0000 | |
| 62 | K | D | -2.5715 | |
| 63 | Q | D | -1.9722 | |
| 64 | D | D | 0.0000 | |
| 65 | H | D | 0.0000 | |
| 66 | D | D | -2.1531 | |
| 67 | I | D | -1.3622 | |
| 68 | A | D | 0.0000 | |
| 69 | E | D | -2.0391 | |
| 70 | K | D | -2.2614 | |
| 71 | L | D | 0.0000 | |
| 72 | G | D | -1.2938 | |
| 73 | M | D | 0.0000 | |
| 74 | D | D | -0.6981 | |
| 75 | C | D | 0.0000 | |
| 76 | I | D | 0.0000 | |
| 77 | R | D | 0.0000 | |
| 78 | G | D | 0.0000 | |
| 79 | G | D | 0.0000 | |
| 80 | I | D | 0.0000 | |
| 81 | E | D | 0.0000 | |
| 82 | W | D | 0.0000 | |
| 83 | A | D | 0.0000 | |
| 84 | R | D | 0.0000 | |
| 85 | I | D | 0.0000 | |
| 86 | F | D | 0.0000 | |
| 87 | P | D | -0.9874 | |
| 88 | K | D | -1.5367 | |
| 89 | P | D | -0.9008 | |
| 90 | T | D | 0.0000 | |
| 91 | F | D | -1.2393 | |
| 92 | D | D | -2.1888 | |
| 93 | V | D | 0.0000 | |
| 94 | K | D | -2.4348 | |
| 95 | V | D | -2.0500 | |
| 96 | D | D | -2.8370 | |
| 97 | V | D | -1.9570 | |
| 98 | E | D | -2.8998 | |
| 99 | K | D | -3.0481 | |
| 100 | D | D | -3.5798 | |
| 101 | E | D | -3.9164 | |
| 102 | E | D | -3.5067 | |
| 103 | G | D | -2.6196 | |
| 104 | N | D | -2.1476 | |
| 105 | I | D | 0.0000 | |
| 106 | I | D | -0.1839 | |
| 107 | S | D | -1.0439 | |
| 108 | V | D | -1.5362 | |
| 109 | D | D | -2.8242 | |
| 110 | V | D | 0.0000 | |
| 111 | P | D | -1.9910 | |
| 112 | E | D | -2.7305 | |
| 113 | S | D | -2.0099 | |
| 114 | T | D | 0.0000 | |
| 115 | I | D | 0.0000 | |
| 116 | K | D | -3.4151 | |
| 117 | E | D | -3.4142 | |
| 118 | L | D | 0.0000 | |
| 119 | E | D | -2.6130 | |
| 120 | K | D | -2.6160 | |
| 121 | I | D | -1.3285 | |
| 122 | A | D | -1.5608 | |
| 123 | N | D | -1.6265 | |
| 124 | M | D | -1.7633 | |
| 125 | E | D | -2.6024 | |
| 126 | A | D | -1.8078 | |
| 127 | L | D | 0.0000 | |
| 128 | E | D | -3.1925 | |
| 129 | H | D | -2.4121 | |
| 130 | Y | D | 0.0000 | |
| 131 | R | D | -2.4806 | |
| 132 | K | D | -2.8341 | |
| 133 | I | D | 0.0000 | |
| 134 | Y | D | 0.0000 | |
| 135 | S | D | -2.2070 | |
| 136 | D | D | -2.4659 | |
| 137 | W | D | 0.0000 | |
| 138 | K | D | -2.0994 | |
| 139 | E | D | -2.6227 | |
| 140 | R | D | -2.0490 | |
| 141 | G | D | -1.6251 | |
| 142 | K | D | -1.4417 | |
| 143 | T | D | -0.7942 | |
| 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 | -0.1752 | |
| 156 | W | D | -0.1772 | |
| 157 | I | D | 0.0000 | |
| 158 | H | D | 0.0000 | |
| 159 | D | D | -0.3248 | |
| 160 | P | D | 0.0000 | |
| 161 | I | D | 0.0582 | |
| 162 | A | D | -0.1468 | |
| 163 | V | D | 0.0000 | |
| 164 | R | D | 0.0000 | |
| 165 | K | D | -0.2678 | |
| 166 | L | D | -0.7350 | |
| 167 | G | D | 0.0000 | |
| 168 | P | D | -1.2792 | |
| 169 | D | D | -2.0119 | |
| 170 | R | D | -1.2947 | |
| 171 | A | D | -0.9402 | |
| 172 | P | D | -0.7710 | |
| 173 | A | D | 0.0000 | |
| 174 | G | D | 0.0000 | |
| 175 | W | D | 0.0000 | |
| 176 | L | D | 0.0000 | |
| 177 | D | D | -2.0346 | |
| 178 | E | D | -2.6512 | |
| 179 | K | D | -2.0542 | |
| 180 | T | D | 0.0000 | |
| 181 | V | D | 0.0000 | |
| 182 | V | D | -0.5308 | |
| 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 | -0.3373 | |
| 194 | H | D | -0.7477 | |
| 195 | L | D | 0.0000 | |
| 196 | D | D | -1.7315 | |
| 197 | D | D | -2.2612 | |
| 198 | L | D | 0.0000 | |
| 199 | V | D | 0.0000 | |
| 200 | D | D | -1.1835 | |
| 201 | M | D | -0.6330 | |
| 202 | W | D | 0.0000 | |
| 203 | S | D | 0.0000 | |
| 204 | T | D | 0.0000 | |
| 205 | M | D | 0.0000 | |
| 206 | N | D | -0.2239 | |
| 207 | E | D | -0.2276 | |
| 208 | P | D | 0.0000 | |
| 209 | N | D | -0.3734 | |
| 210 | V | D | 0.0752 | |
| 211 | V | D | 0.1489 | |
| 212 | Y | D | -0.3704 | |
| 213 | N | D | -0.4362 | |
| 214 | Q | D | -0.3876 | |
| 215 | G | D | 0.0000 | |
| 216 | Y | D | 0.0000 | |
| 217 | I | D | -0.2735 | |
| 218 | N | D | -0.6136 | |
| 219 | L | D | -0.8382 | |
| 220 | R | D | -1.8954 | |
| 221 | S | D | -0.8992 | |
| 222 | G | D | 0.0000 | |
| 223 | F | D | -0.0944 | |
| 224 | P | D | 0.0627 | |
| 225 | P | D | 0.0000 | |
| 226 | G | D | 0.0007 | |
| 227 | Y | D | 0.0000 | |
| 228 | L | D | -0.0210 | |
| 229 | S | D | 0.0000 | |
| 230 | F | D | -0.6816 | |
| 231 | E | D | -2.2407 | |
| 232 | A | D | 0.0000 | |
| 233 | A | D | -1.3854 | |
| 234 | E | D | -2.6115 | |
| 235 | K | D | -2.4106 | |
| 236 | A | D | 0.0000 | |
| 237 | K | D | -1.2428 | |
| 238 | F | D | -0.2171 | |
| 239 | N | D | -0.7118 | |
| 240 | L | D | 0.0000 | |
| 241 | I | D | 0.0000 | |
| 242 | Q | D | 0.0000 | |
| 243 | A | D | 0.0000 | |
| 244 | H | D | 0.0000 | |
| 245 | I | D | 0.0000 | |
| 246 | G | D | 0.0000 | |
| 247 | A | D | 0.0000 | |
| 248 | Y | D | 0.0000 | |
| 249 | D | D | -1.1665 | |
| 250 | A | D | 0.0000 | |
| 251 | I | D | 0.0000 | |
| 252 | K | D | -1.9258 | |
| 253 | E | D | -2.0623 | |
| 254 | Y | D | -1.0868 | |
| 255 | S | D | 0.0000 | |
| 256 | E | D | -2.3583 | |
| 257 | K | D | -1.6033 | |
| 258 | S | D | -0.9370 | |
| 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 | -0.0652 | |
| 265 | F | D | 0.0000 | |
| 266 | A | D | 0.0754 | |
| 267 | W | D | 0.0000 | |
| 268 | H | D | 0.0000 | |
| 269 | D | D | -0.3515 | |
| 270 | P | D | -1.1707 | |
| 271 | L | D | 0.3471 | |
| 272 | A | D | -1.1305 | |
| 273 | E | D | -3.3615 | |
| 274 | E | D | -3.3375 | |
| 275 | Y | D | -2.8249 | |
| 276 | K | D | -4.0022 | |
| 277 | D | D | -4.7197 | |
| 278 | E | D | -4.3962 | |
| 279 | V | D | 0.0000 | |
| 280 | E | D | -4.1580 | |
| 281 | E | D | -4.6398 | |
| 282 | I | D | -3.4015 | |
| 283 | R | D | 0.0000 | |
| 284 | K | D | -3.9883 | |
| 285 | K | D | -3.9466 | |
| 286 | D | D | -2.9400 | |
| 287 | Y | D | 0.0000 | |
| 288 | E | D | -2.6311 | |
| 289 | F | D | 0.0000 | |
| 290 | V | D | 0.0000 | |
| 291 | T | D | -1.3042 | |
| 292 | I | D | -0.5350 | |
| 293 | L | D | 0.0000 | |
| 294 | H | D | -1.6291 | |
| 295 | S | D | -1.2251 | |
| 296 | K | D | -1.6110 | |
| 297 | G | D | -1.3976 | |
| 298 | K | D | -1.2456 | |
| 299 | L | D | -0.6983 | |
| 300 | D | D | -0.5781 | |
| 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 | 0.4675 | |
| 308 | S | D | 0.0000 | |
| 309 | R | D | 0.0000 | |
| 310 | L | D | 0.7256 | |
| 311 | V | D | 0.0000 | |
| 312 | Y | D | 0.0000 | |
| 313 | G | D | 0.0000 | |
| 314 | A | D | -1.5424 | |
| 315 | K | D | -2.8124 | |
| 316 | D | D | -3.0239 | |
| 317 | G | D | -2.5170 | |
| 318 | H | D | -1.8608 | |
| 319 | L | D | -1.2008 | |
| 320 | V | D | -0.0714 | |
| 321 | P | D | 0.4205 | |
| 322 | L | D | 0.3732 | |
| 323 | P | D | -0.1816 | |
| 324 | G | D | -0.4588 | |
| 325 | Y | D | -0.0200 | |
| 326 | G | D | 0.0000 | |
| 327 | F | D | 1.0898 | |
| 328 | M | D | 0.4888 | |
| 329 | S | D | -0.7584 | |
| 330 | E | D | -2.3390 | |
| 331 | R | D | -2.5587 | |
| 332 | G | D | -1.7189 | |
| 333 | G | D | -0.9641 | |
| 334 | F | D | -0.1163 | |
| 335 | A | D | 0.0000 | |
| 336 | K | D | -1.8436 | |
| 337 | S | D | -0.9835 | |
| 338 | G | D | -0.7178 | |
| 339 | R | D | -0.2091 | |
| 340 | P | D | 0.0000 | |
| 341 | A | D | 0.0000 | |
| 342 | S | D | 0.0000 | |
| 343 | D | D | -1.4575 | |
| 344 | F | D | -0.5268 | |
| 345 | G | D | 0.0000 | |
| 346 | W | D | 0.3481 | |
| 347 | E | D | 0.0000 | |
| 348 | M | D | 0.0000 | |
| 349 | Y | D | 0.0191 | |
| 350 | P | D | 0.0000 | |
| 351 | E | D | -1.0499 | |
| 352 | G | D | 0.0000 | |
| 353 | L | D | 0.0000 | |
| 354 | E | D | -1.5617 | |
| 355 | N | D | -1.3559 | |
| 356 | L | D | 0.0000 | |
| 357 | L | D | 0.0000 | |
| 358 | K | D | -1.9467 | |
| 359 | Y | D | -1.0343 | |
| 360 | L | D | 0.0000 | |
| 361 | N | D | -1.9861 | |
| 362 | N | D | -2.0050 | |
| 363 | A | D | -1.3412 | |
| 364 | Y | D | 0.0000 | |
| 365 | E | D | -2.4168 | |
| 366 | L | D | -1.2419 | |
| 367 | P | D | -0.8548 | |
| 368 | M | D | 0.0000 | |
| 369 | I | D | 0.0000 | |
| 370 | I | D | 0.0000 | |
| 371 | T | D | 0.0000 | |
| 372 | E | D | 0.0000 | |
| 373 | N | D | 0.0000 | |
| 374 | G | D | 0.0000 | |
| 375 | M | D | 0.0000 | |
| 376 | A | D | 0.0000 | |
| 377 | D | D | 0.0000 | |
| 378 | A | D | -0.4865 | |
| 379 | A | D | 0.0000 | |
| 380 | D | D | 0.0000 | |
| 381 | R | D | -0.6459 | |
| 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 | -0.8085 | |
| 393 | A | D | 0.0000 | |
| 394 | V | D | 0.0000 | |
| 395 | Y | D | -1.3372 | |
| 396 | N | D | -2.0834 | |
| 397 | A | D | 0.0000 | |
| 398 | M | D | -2.0516 | |
| 399 | K | D | -2.9735 | |
| 400 | E | D | -3.2350 | |
| 401 | G | D | -2.4294 | |
| 402 | A | D | 0.0000 | |
| 403 | D | D | -1.8225 | |
| 404 | V | D | 0.0000 | |
| 405 | R | D | -1.2566 | |
| 406 | G | D | 0.0000 | |
| 407 | Y | D | 0.0000 | |
| 408 | L | D | 0.0000 | |
| 409 | H | D | 0.0000 | |
| 410 | W | D | 0.1187 | |
| 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 | -0.6722 | |
| 418 | W | D | 0.0000 | |
| 419 | A | D | 0.0000 | |
| 420 | Q | D | -1.0181 | |
| 421 | G | D | 0.0000 | |
| 422 | F | D | -1.0735 | |
| 423 | R | D | -1.9552 | |
| 424 | M | D | -0.9728 | |
| 425 | R | D | -0.6330 | |
| 426 | F | D | 0.0000 | |
| 427 | G | D | 0.0000 | |
| 428 | L | D | 0.0000 | |
| 429 | V | D | 0.0000 | |
| 430 | Y | D | 0.0000 | |
| 431 | V | D | 0.0000 | |
| 432 | D | D | -1.6010 | |
| 433 | F | D | 0.0000 | |
| 434 | E | D | -2.4547 | |
| 435 | T | D | -1.8260 | |
| 436 | K | D | -1.6876 | |
| 437 | K | D | -2.1731 | |
| 438 | R | D | -1.4127 | |
| 439 | Y | D | -1.0470 | |
| 440 | L | D | -0.3050 | |
| 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 | -1.1572 | |
| 449 | E | D | -0.7816 | |
| 450 | I | D | 0.0000 | |
| 451 | A | D | 0.0000 | |
| 452 | T | D | -1.3180 | |
| 453 | Q | D | -1.6587 | |
| 454 | K | D | -1.8908 | |
| 455 | E | D | -1.9263 | |
| 456 | I | D | -1.2263 | |
| 457 | P | D | -1.5058 | |
| 458 | E | D | -2.0900 | |
| 459 | E | D | -1.5670 | |
| 460 | L | D | 0.0000 | |
| 461 | A | D | -0.8984 | |
| 462 | H | D | -0.9925 | |
| 463 | L | D | 0.0000 | |
| 464 | A | D | -0.6091 | |
| 465 | D | D | -1.1147 | |
| 466 | L | D | -0.7779 | |
| 467 | K | D | -1.7623 | |
| 468 | F | D | 0.0000 | |
| 469 | V | D | -0.4547 | |
| 470 | T | D | -0.6047 |
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 | -0.6129 | 2.8294 | View | CSV | PDB |
| 4.5 | -0.6899 | 2.793 | View | CSV | PDB |
| 5.0 | -0.7867 | 2.7435 | View | CSV | PDB |
| 5.5 | -0.885 | 2.6892 | View | CSV | PDB |
| 6.0 | -0.9646 | 2.6386 | View | CSV | PDB |
| 6.5 | -1.0095 | 2.6 | View | CSV | PDB |
| 7.0 | -1.0169 | 2.5779 | View | CSV | PDB |
| 7.5 | -0.9976 | 2.5685 | View | CSV | PDB |
| 8.0 | -0.9636 | 2.5651 | View | CSV | PDB |
| 8.5 | -0.9203 | 2.564 | View | CSV | PDB |
| 9.0 | -0.8686 | 2.5635 | 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