| Chain sequence(s) |
A: SSVPTVKLFIGGKFVESKSDKWIDIHNPATNEVIGRVPQATKAEMDAAIASCKRAFPAWADTSVLSRQQVLLRYQQLIKENLKEIAKLITLEQGKTLADAEGDVFRGLQVVEHACSVTSLMMGETMPSITKDMDLYSYRLPLGVCAGIAPFNFPAMIPLWMFPMAMVCGNTFLMKPSERVPGATMLLAKLLQDSGAPDGTLNIIHGQHEAVNFICDHPDIKAISFVGSNKAGEYIFERGSRHGKRVQANMGAKNHGVVMPDANKENTLNQLVGAAFGAAGQRCMALSTAVLVGEAKKWLPELVEHAKNLRVNAGDQPGADLGPLITPQAKERVCNLIDSGTKEGASILLDGRKIKVKGYENGNFVGPTIISNVKPNMTCYKEEIFGPVLVVLETETLDEAIQIVNNNPYGNGTAIFTTNGATARKYAHLVDVGQVGVNVPIPVPLPMFSFTGSRSSFRGDTNFYGKQGIQFYTQLKTITSQWKEEDATLSSPAVVMPTM
C: SSVPTVKLFIGGKFVESKSDKWIDIHNPATNEVIGRVPQATKAEMDAAIASCKRAFPAWADTSVLSRQQVLLRYQQLIKENLKEIAKLITLEQGKTLADAEGDVFRGLQVVEHACSVTSLMMGETMPSITKDMDLYSYRLPLGVCAGIAPFNFPAMIPLWMFPMAMVCGNTFLMKPSERVPGATMLLAKLLQDSGAPDGTLNIIHGQHEAVNFICDHPDIKAISFVGSNKAGEYIFERGSRHGKRVQANMGAKNHGVVMPDANKENTLNQLVGAAFGAAGQRCMALSTAVLVGEAKKWLPELVEHAKNLRVNAGDQPGADLGPLITPQAKERVCNLIDSGTKEGASILLDGRKIKVKGYENGNFVGPTIISNVKPNMTCYKEEIFGPVLVVLETETLDEAIQIVNNNPYGNGTAIFTTNGATARKYAHLVDVGQVGVNVPIPVPLPMFSFTGSRSSFRGDTNFYGKQGIQFYTQLKTITSQWKEEDATLSSPAVVMPTM B: SSVPTVKLFIGGKFVESKSDKWIDIHNPATNEVIGRVPQATKAEMDAAIASCKRAFPAWADTSVLSRQQVLLRYQQLIKENLKEIAKLITLEQGKTLADAEGDVFRGLQVVEHACSVTSLMMGETMPSITKDMDLYSYRLPLGVCAGIAPFNFPAMIPLWMFPMAMVCGNTFLMKPSERVPGATMLLAKLLQDSGAPDGTLNIIHGQHEAVNFICDHPDIKAISFVGSNKAGEYIFERGSRHGKRVQANMGAKNHGVVMPDANKENTLNQLVGAAFGAAGQRCMALSTAVLVGEAKKWLPELVEHAKNLRVNAGDQPGADLGPLITPQAKERVCNLIDSGTKEGASILLDGRKIKVKGYENGNFVGPTIISNVKPNMTCYKEEIFGPVLVVLETETLDEAIQIVNNNPYGNGTAIFTTNGATARKYAHLVDVGQVGVNVPIPVPLPMFSFTGSRSSFRGDTNFYGKQGIQFYTQLKTITSQWKEEDATLSSPAVVMPTM D: SSVPTVKLFIGGKFVESKSDKWIDIHNPATNEVIGRVPQATKAEMDAAIASCKRAFPAWADTSVLSRQQVLLRYQQLIKENLKEIAKLITLEQGKTLADAEGDVFRGLQVVEHACSVTSLMMGETMPSITKDMDLYSYRLPLGVCAGIAPFNFPAMIPLWMFPMAMVCGNTFLMKPSERVPGATMLLAKLLQDSGAPDGTLNIIHGQHEAVNFICDHPDIKAISFVGSNKAGEYIFERGSRHGKRVQANMGAKNHGVVMPDANKENTLNQLVGAAFGAAGQRCMALSTAVLVGEAKKWLPELVEHAKNLRVNAGDQPGADLGPLITPQAKERVCNLIDSGTKEGASILLDGRKIKVKGYENGNFVGPTIISNVKPNMTCYKEEIFGPVLVVLETETLDEAIQIVNNNPYGNGTAIFTTNGATARKYAHLVDVGQVGVNVPIPVPLPMFSFTGSRSSFRGDTNFYGKQGIQFYTQLKTITSQWKEEDATLSSPAVVMPTM 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. (00:00:08)
[INFO] FoldX: Starting FoldX energy minimization (00:00:08)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:32:06)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ef318e981f58e67/tmp/folded.pdb (00:32:06)
[INFO] Main: Simulation completed successfully. (00:45:01)
|
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 |
|---|---|---|---|---|
| 3 | S | A | -0.1860 | |
| 4 | S | A | -0.0225 | |
| 5 | V | A | 0.3111 | |
| 6 | P | A | -0.1300 | |
| 7 | T | A | -0.7986 | |
| 8 | V | A | -0.6968 | |
| 9 | K | A | -1.4655 | |
| 10 | L | A | 0.0000 | |
| 11 | F | A | 0.0000 | |
| 12 | I | A | 0.0000 | |
| 13 | G | A | -1.2117 | |
| 14 | G | A | -1.6721 | |
| 15 | K | A | -1.9324 | |
| 16 | F | A | -0.4568 | |
| 17 | V | A | -0.8182 | |
| 18 | E | A | -2.2551 | |
| 19 | S | A | 0.0000 | |
| 20 | K | A | -2.7226 | |
| 21 | S | A | -2.6779 | |
| 22 | D | A | -2.9923 | |
| 23 | K | A | -2.8155 | |
| 24 | W | A | -1.3617 | |
| 25 | I | A | -0.9600 | |
| 26 | D | A | -1.3830 | |
| 27 | I | A | 0.0000 | |
| 28 | H | A | -1.1360 | |
| 29 | N | A | -0.9423 | |
| 30 | P | A | 0.0000 | |
| 31 | A | A | 0.0000 | |
| 32 | T | A | -1.6140 | |
| 33 | N | A | -1.7422 | |
| 34 | E | A | -2.1167 | |
| 35 | V | A | -0.7624 | |
| 36 | I | A | -0.1596 | |
| 37 | G | A | 0.0000 | |
| 38 | R | A | -1.0566 | |
| 39 | V | A | 0.0000 | |
| 40 | P | A | 0.0000 | |
| 41 | Q | A | -1.8374 | |
| 42 | A | A | 0.0000 | |
| 43 | T | A | -1.9863 | |
| 44 | K | A | -2.1983 | |
| 45 | A | A | -1.4659 | |
| 46 | E | A | -1.2725 | |
| 47 | M | A | 0.0000 | |
| 48 | D | A | -1.6931 | |
| 49 | A | A | -0.9481 | |
| 50 | A | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | A | A | -1.1750 | |
| 53 | S | A | -1.3770 | |
| 54 | C | A | 0.0000 | |
| 55 | K | A | -1.7793 | |
| 56 | R | A | -2.4061 | |
| 57 | A | A | -1.4326 | |
| 58 | F | A | -0.8451 | |
| 59 | P | A | -1.1141 | |
| 60 | A | A | -0.9832 | |
| 61 | W | A | 0.0000 | |
| 62 | A | A | -0.7600 | |
| 63 | D | A | -2.1233 | |
| 64 | T | A | -1.1658 | |
| 65 | S | A | -0.7362 | |
| 66 | V | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | S | A | -0.2139 | |
| 69 | R | A | 0.0000 | |
| 70 | Q | A | 0.0000 | |
| 71 | Q | A | -0.6553 | |
| 72 | V | A | -0.8611 | |
| 73 | L | A | 0.0000 | |
| 74 | L | A | 0.0000 | |
| 75 | R | A | -1.9193 | |
| 76 | Y | A | 0.0000 | |
| 77 | Q | A | 0.0000 | |
| 78 | Q | A | -1.6015 | |
| 79 | L | A | -1.4787 | |
| 80 | I | A | 0.0000 | |
| 81 | K | A | -1.8496 | |
| 82 | E | A | -2.6990 | |
| 83 | N | A | -2.2844 | |
| 84 | L | A | -2.4803 | |
| 85 | K | A | -3.5907 | |
| 86 | E | A | -3.4807 | |
| 87 | I | A | 0.0000 | |
| 88 | A | A | 0.0000 | |
| 89 | K | A | -2.6573 | |
| 90 | L | A | -0.8200 | |
| 91 | I | A | 0.0000 | |
| 92 | T | A | 0.0000 | |
| 93 | L | A | 0.1306 | |
| 94 | E | A | 0.0000 | |
| 95 | Q | A | 0.0000 | |
| 96 | G | A | 0.0000 | |
| 97 | K | A | 0.0000 | |
| 98 | T | A | 0.0000 | |
| 99 | L | A | -1.3487 | |
| 100 | A | A | -1.0706 | |
| 101 | D | A | -0.7830 | |
| 102 | A | A | 0.0000 | |
| 103 | E | A | -2.1816 | |
| 104 | G | A | -0.8991 | |
| 105 | D | A | 0.0000 | |
| 106 | V | A | 0.0000 | |
| 107 | F | A | -0.4120 | |
| 108 | R | A | -1.1484 | |
| 109 | G | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | Q | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | V | A | 0.0000 | |
| 114 | E | A | 0.0000 | |
| 115 | H | A | 0.0000 | |
| 116 | A | A | 0.0000 | |
| 117 | C | A | 0.0000 | |
| 118 | S | A | 0.0000 | |
| 119 | V | A | 0.0000 | |
| 120 | T | A | 0.0000 | |
| 121 | S | A | -0.1256 | |
| 122 | L | A | 0.0000 | |
| 123 | M | A | 0.0000 | |
| 124 | M | A | 0.0119 | |
| 125 | G | A | -0.0436 | |
| 126 | E | A | -0.1519 | |
| 127 | T | A | 0.0000 | |
| 128 | M | A | 0.0000 | |
| 129 | P | A | -0.2316 | |
| 130 | S | A | -0.9064 | |
| 131 | I | A | 0.0000 | |
| 132 | T | A | -0.8745 | |
| 133 | K | A | -2.1285 | |
| 134 | D | A | -1.8179 | |
| 135 | M | A | -0.8010 | |
| 136 | D | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | Y | A | 0.1258 | |
| 139 | S | A | 0.0000 | |
| 140 | Y | A | 0.0089 | |
| 141 | R | A | 0.0000 | |
| 142 | L | A | 0.1162 | |
| 143 | P | A | -0.1830 | |
| 144 | L | A | 0.0000 | |
| 145 | G | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | C | A | 0.0000 | |
| 148 | A | A | 0.0000 | |
| 149 | G | A | 0.0000 | |
| 150 | I | A | 0.0000 | |
| 151 | A | A | 0.0000 | |
| 152 | P | A | 0.0696 | |
| 153 | F | A | 0.2927 | |
| 154 | N | A | 0.0000 | |
| 155 | F | A | 0.2374 | |
| 156 | P | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | M | A | 0.0000 | |
| 159 | I | A | 0.0000 | |
| 160 | P | A | 0.0000 | |
| 161 | L | A | 0.0000 | |
| 162 | W | A | 0.0000 | |
| 163 | M | A | 0.0000 | |
| 164 | F | A | 0.0000 | |
| 165 | P | A | 0.0000 | |
| 166 | M | A | 0.0000 | |
| 167 | A | A | 0.0000 | |
| 168 | M | A | 0.0000 | |
| 169 | V | A | 0.0000 | |
| 170 | C | A | 0.0000 | |
| 171 | G | A | 0.0000 | |
| 172 | N | A | 0.0000 | |
| 173 | T | A | 0.0000 | |
| 174 | F | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | M | A | 0.0000 | |
| 177 | K | A | 0.0000 | |
| 178 | P | A | 0.0000 | |
| 179 | S | A | -0.3525 | |
| 180 | E | A | -0.9730 | |
| 181 | R | A | -0.6387 | |
| 182 | V | A | 0.0000 | |
| 183 | P | A | 0.0000 | |
| 184 | G | A | -0.0144 | |
| 185 | A | A | 0.0000 | |
| 186 | T | A | 0.0000 | |
| 187 | M | A | 0.0000 | |
| 188 | L | A | -0.3793 | |
| 189 | L | A | 0.0000 | |
| 190 | A | A | 0.0000 | |
| 191 | K | A | -1.6114 | |
| 192 | L | A | 0.0000 | |
| 193 | L | A | 0.0000 | |
| 194 | Q | A | -2.3857 | |
| 195 | D | A | -2.5644 | |
| 196 | S | A | 0.0000 | |
| 197 | G | A | -1.5187 | |
| 198 | A | A | -1.4458 | |
| 199 | P | A | -1.4055 | |
| 200 | D | A | -2.5459 | |
| 201 | G | A | 0.0000 | |
| 202 | T | A | 0.0000 | |
| 203 | L | A | 0.0000 | |
| 204 | N | A | 0.0000 | |
| 205 | I | A | 0.0000 | |
| 206 | I | A | 0.0000 | |
| 207 | H | A | 0.0000 | |
| 208 | G | A | 0.0000 | |
| 209 | Q | A | -1.8065 | |
| 210 | H | A | -1.8975 | |
| 211 | E | A | -2.0113 | |
| 212 | A | A | 0.0000 | |
| 213 | V | A | -0.8682 | |
| 214 | N | A | -1.0626 | |
| 215 | F | A | 0.0000 | |
| 216 | I | A | 0.0000 | |
| 217 | C | A | 0.0000 | |
| 218 | D | A | -1.4723 | |
| 219 | H | A | -1.1496 | |
| 220 | P | A | -1.1161 | |
| 221 | D | A | -1.0995 | |
| 222 | I | A | 0.0000 | |
| 223 | K | A | -1.2773 | |
| 224 | A | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | S | A | 0.0000 | |
| 227 | F | A | 0.0000 | |
| 228 | V | A | 0.0000 | |
| 229 | G | A | -0.5333 | |
| 230 | S | A | -0.9958 | |
| 231 | N | A | -1.4663 | |
| 232 | K | A | -2.1039 | |
| 233 | A | A | -1.3138 | |
| 234 | G | A | 0.0000 | |
| 235 | E | A | -2.1235 | |
| 236 | Y | A | -1.1197 | |
| 237 | I | A | 0.0000 | |
| 238 | F | A | 0.0000 | |
| 239 | E | A | -2.6692 | |
| 240 | R | A | -2.1297 | |
| 241 | G | A | 0.0000 | |
| 242 | S | A | 0.0000 | |
| 243 | R | A | -3.5775 | |
| 244 | H | A | -2.6433 | |
| 245 | G | A | -2.1863 | |
| 246 | K | A | 0.0000 | |
| 247 | R | A | -1.0474 | |
| 248 | V | A | 0.0000 | |
| 249 | Q | A | 0.0000 | |
| 250 | A | A | 0.0000 | |
| 251 | N | A | 0.0000 | |
| 252 | M | A | 0.0000 | |
| 253 | G | A | 0.0000 | |
| 254 | A | A | 0.0000 | |
| 255 | K | A | 0.0000 | |
| 256 | N | A | 0.0000 | |
| 257 | H | A | 0.0000 | |
| 258 | G | A | 0.0000 | |
| 259 | V | A | 0.0000 | |
| 260 | V | A | 0.0000 | |
| 261 | M | A | 0.0000 | |
| 262 | P | A | -1.7157 | |
| 263 | D | A | -1.5690 | |
| 264 | A | A | 0.0000 | |
| 265 | N | A | -0.7065 | |
| 266 | K | A | -1.1945 | |
| 267 | E | A | -0.1560 | |
| 268 | N | A | 0.3996 | |
| 269 | T | A | 0.0000 | |
| 270 | L | A | 0.0000 | |
| 271 | N | A | -0.0169 | |
| 272 | Q | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | G | A | -0.3658 | |
| 276 | A | A | 0.0000 | |
| 277 | A | A | 0.0000 | |
| 278 | F | A | 0.0000 | |
| 279 | G | A | -0.4427 | |
| 280 | A | A | 0.0000 | |
| 281 | A | A | 0.0000 | |
| 282 | G | A | 0.0000 | |
| 283 | Q | A | 0.0000 | |
| 284 | R | A | -0.0496 | |
| 285 | C | A | 0.0609 | |
| 286 | M | A | 0.0000 | |
| 287 | A | A | 0.0000 | |
| 288 | L | A | 0.0000 | |
| 289 | S | A | 0.0000 | |
| 290 | T | A | 0.0000 | |
| 291 | A | A | 0.0000 | |
| 292 | V | A | 0.0000 | |
| 293 | L | A | 0.0000 | |
| 294 | V | A | 0.0000 | |
| 295 | G | A | -2.4388 | |
| 296 | E | A | -3.2510 | |
| 297 | A | A | 0.0000 | |
| 298 | K | A | -3.0243 | |
| 299 | K | A | -2.8778 | |
| 300 | W | A | -1.9959 | |
| 301 | L | A | -1.1220 | |
| 302 | P | A | -1.3823 | |
| 303 | E | A | -2.1381 | |
| 304 | L | A | 0.0000 | |
| 305 | V | A | -1.4973 | |
| 306 | E | A | -3.0151 | |
| 307 | H | A | -2.3688 | |
| 308 | A | A | 0.0000 | |
| 309 | K | A | -3.3060 | |
| 310 | N | A | -2.9425 | |
| 311 | L | A | -2.2878 | |
| 312 | R | A | -2.5793 | |
| 313 | V | A | -1.4998 | |
| 314 | N | A | -1.7189 | |
| 315 | A | A | 0.0000 | |
| 316 | G | A | 0.0000 | |
| 317 | D | A | -2.1848 | |
| 318 | Q | A | -1.6552 | |
| 319 | P | A | -1.2374 | |
| 320 | G | A | -1.4537 | |
| 321 | A | A | -1.6868 | |
| 322 | D | A | -1.8630 | |
| 323 | L | A | 0.0000 | |
| 324 | G | A | 0.0000 | |
| 325 | P | A | 0.0000 | |
| 326 | L | A | 0.0000 | |
| 327 | I | A | 0.0000 | |
| 328 | T | A | -0.9774 | |
| 329 | P | A | -1.6707 | |
| 330 | Q | A | -2.1958 | |
| 331 | A | A | -1.6777 | |
| 332 | K | A | -2.0296 | |
| 333 | E | A | -3.0386 | |
| 334 | R | A | -2.4304 | |
| 335 | V | A | 0.0000 | |
| 336 | C | A | -1.9977 | |
| 337 | N | A | -2.2345 | |
| 338 | L | A | -1.5116 | |
| 339 | I | A | 0.0000 | |
| 340 | D | A | -1.8801 | |
| 341 | S | A | -1.6641 | |
| 342 | G | A | 0.0000 | |
| 343 | T | A | -1.6420 | |
| 344 | K | A | -2.5257 | |
| 345 | E | A | -2.4006 | |
| 346 | G | A | -1.6863 | |
| 347 | A | A | 0.0000 | |
| 348 | S | A | -0.2540 | |
| 349 | I | A | 0.4315 | |
| 350 | L | A | 0.9030 | |
| 351 | L | A | -0.1745 | |
| 352 | D | A | -0.8179 | |
| 353 | G | A | 0.0000 | |
| 354 | R | A | -1.5310 | |
| 355 | K | A | -2.0330 | |
| 356 | I | A | -1.3042 | |
| 357 | K | A | -2.8447 | |
| 358 | V | A | 0.0000 | |
| 359 | K | A | -2.6498 | |
| 360 | G | A | -2.0742 | |
| 361 | Y | A | -2.1131 | |
| 362 | E | A | -3.0903 | |
| 363 | N | A | -2.6690 | |
| 364 | G | A | -1.8283 | |
| 365 | N | A | 0.0000 | |
| 366 | F | A | 0.0000 | |
| 367 | V | A | 0.0000 | |
| 368 | G | A | 0.0000 | |
| 369 | P | A | 0.0000 | |
| 370 | T | A | 0.0000 | |
| 371 | I | A | 0.0000 | |
| 372 | I | A | 0.0000 | |
| 373 | S | A | 0.0000 | |
| 374 | N | A | -1.1590 | |
| 375 | V | A | 0.0000 | |
| 376 | K | A | -2.4527 | |
| 377 | P | A | -1.9292 | |
| 378 | N | A | -2.2634 | |
| 379 | M | A | 0.0000 | |
| 380 | T | A | -1.5985 | |
| 381 | C | A | 0.0000 | |
| 382 | Y | A | 0.0000 | |
| 383 | K | A | -2.5059 | |
| 384 | E | A | -1.4673 | |
| 385 | E | A | -0.7813 | |
| 386 | I | A | 0.0000 | |
| 387 | F | A | 0.0872 | |
| 388 | G | A | 0.0000 | |
| 389 | P | A | 0.0000 | |
| 390 | V | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | V | A | 0.0000 | |
| 393 | V | A | 0.0000 | |
| 394 | L | A | 0.0000 | |
| 395 | E | A | -1.9691 | |
| 396 | T | A | 0.0000 | |
| 397 | E | A | -2.8554 | |
| 398 | T | A | -2.0034 | |
| 399 | L | A | 0.0000 | |
| 400 | D | A | -2.4289 | |
| 401 | E | A | -2.4625 | |
| 402 | A | A | 0.0000 | |
| 403 | I | A | 0.0000 | |
| 404 | Q | A | -2.2452 | |
| 405 | I | A | -1.4259 | |
| 406 | V | A | 0.0000 | |
| 407 | N | A | -1.6669 | |
| 408 | N | A | -1.8469 | |
| 409 | N | A | 0.0000 | |
| 410 | P | A | -1.0836 | |
| 411 | Y | A | -0.6057 | |
| 412 | G | A | 0.0000 | |
| 413 | N | A | 0.0000 | |
| 414 | G | A | 0.0000 | |
| 415 | T | A | 0.0000 | |
| 416 | A | A | 0.0000 | |
| 417 | I | A | 0.0000 | |
| 418 | F | A | 0.0000 | |
| 419 | T | A | 0.0000 | |
| 420 | T | A | -0.5857 | |
| 421 | N | A | -0.4803 | |
| 422 | G | A | 0.0000 | |
| 423 | A | A | 0.0000 | |
| 424 | T | A | 0.0000 | |
| 425 | A | A | 0.0000 | |
| 426 | R | A | -0.6646 | |
| 427 | K | A | -1.1242 | |
| 428 | Y | A | 0.0000 | |
| 429 | A | A | 0.0000 | |
| 430 | H | A | -0.6480 | |
| 431 | L | A | -0.2751 | |
| 432 | V | A | 0.0000 | |
| 433 | D | A | -1.8268 | |
| 434 | V | A | 0.0000 | |
| 435 | G | A | 0.0000 | |
| 436 | Q | A | 0.0000 | |
| 437 | V | A | 0.0000 | |
| 438 | G | A | 0.0000 | |
| 439 | V | A | 0.0000 | |
| 440 | N | A | -0.1687 | |
| 441 | V | A | 0.0000 | |
| 442 | P | A | 0.0000 | |
| 443 | I | A | 0.5243 | |
| 444 | P | A | 0.0000 | |
| 445 | V | A | 0.6615 | |
| 446 | P | A | 0.0000 | |
| 447 | L | A | 0.1210 | |
| 448 | P | A | 0.0000 | |
| 449 | M | A | 0.0000 | |
| 450 | F | A | 0.0000 | |
| 451 | S | A | 0.0000 | |
| 452 | F | A | 0.0000 | |
| 453 | T | A | 0.0000 | |
| 454 | G | A | -0.3908 | |
| 455 | S | A | -0.8225 | |
| 456 | R | A | -1.3855 | |
| 457 | S | A | -0.7699 | |
| 458 | S | A | 0.0000 | |
| 459 | F | A | 0.0000 | |
| 460 | R | A | -0.9920 | |
| 461 | G | A | -0.7629 | |
| 462 | D | A | -0.7505 | |
| 463 | T | A | 0.0000 | |
| 464 | N | A | -0.4641 | |
| 465 | F | A | 0.0000 | |
| 466 | Y | A | 0.0000 | |
| 467 | G | A | 0.0000 | |
| 468 | K | A | -1.0991 | |
| 469 | Q | A | -0.7251 | |
| 470 | G | A | 0.0000 | |
| 471 | I | A | 0.0000 | |
| 472 | Q | A | -0.5725 | |
| 473 | F | A | 0.0000 | |
| 474 | Y | A | 0.0000 | |
| 475 | T | A | 0.0000 | |
| 476 | Q | A | -0.4122 | |
| 477 | L | A | 0.0000 | |
| 478 | K | A | -0.4010 | |
| 479 | T | A | 0.0000 | |
| 480 | I | A | 0.0000 | |
| 481 | T | A | 0.0000 | |
| 482 | S | A | 0.0000 | |
| 483 | Q | A | 0.0000 | |
| 484 | W | A | -1.0130 | |
| 485 | K | A | -1.8574 | |
| 486 | E | A | -2.4162 | |
| 487 | E | A | -2.3762 | |
| 488 | D | A | -1.2057 | |
| 489 | A | A | -0.8121 | |
| 490 | T | A | -0.1843 | |
| 491 | L | A | 0.7115 | |
| 492 | S | A | 0.0118 | |
| 493 | S | A | -0.1255 | |
| 494 | P | A | -0.0956 | |
| 495 | A | A | 0.7082 | |
| 496 | V | A | 2.2721 | |
| 497 | V | A | 2.6420 | |
| 498 | M | A | 1.4638 | |
| 499 | P | A | 0.6562 | |
| 500 | T | A | 0.5681 | |
| 501 | M | A | 0.7151 | |
| 3 | S | B | -0.1949 | |
| 4 | S | B | -0.0402 | |
| 5 | V | B | 0.2761 | |
| 6 | P | B | -0.1772 | |
| 7 | T | B | -0.6515 | |
| 8 | V | B | -0.3610 | |
| 9 | K | B | -1.1286 | |
| 10 | L | B | 0.0000 | |
| 11 | F | B | 0.0000 | |
| 12 | I | B | -0.4237 | |
| 13 | G | B | -1.0055 | |
| 14 | G | B | 0.0000 | |
| 15 | K | B | -1.7215 | |
| 16 | F | B | -0.1845 | |
| 17 | V | B | -0.3363 | |
| 18 | E | B | -1.9434 | |
| 19 | S | B | 0.0000 | |
| 20 | K | B | -2.7645 | |
| 21 | S | B | -2.7012 | |
| 22 | D | B | -3.0155 | |
| 23 | K | B | -2.7029 | |
| 24 | W | B | -1.3213 | |
| 25 | I | B | -0.9461 | |
| 26 | D | B | -1.3762 | |
| 27 | I | B | 0.0000 | |
| 28 | H | B | -1.0812 | |
| 29 | N | B | -0.8827 | |
| 30 | P | B | 0.0000 | |
| 31 | A | B | 0.0000 | |
| 32 | T | B | -1.5825 | |
| 33 | N | B | -1.6479 | |
| 34 | E | B | -2.0714 | |
| 35 | V | B | -0.7430 | |
| 36 | I | B | -0.1252 | |
| 37 | G | B | 0.0000 | |
| 38 | R | B | -0.9298 | |
| 39 | V | B | 0.0000 | |
| 40 | P | B | 0.0000 | |
| 41 | Q | B | -2.0695 | |
| 42 | A | B | 0.0000 | |
| 43 | T | B | -2.0703 | |
| 44 | K | B | -2.2710 | |
| 45 | A | B | -1.3833 | |
| 46 | E | B | 0.0000 | |
| 47 | M | B | 0.0000 | |
| 48 | D | B | -1.6776 | |
| 49 | A | B | -0.8724 | |
| 50 | A | B | 0.0000 | |
| 51 | I | B | 0.0000 | |
| 52 | A | B | -1.1858 | |
| 53 | S | B | -1.3507 | |
| 54 | C | B | 0.0000 | |
| 55 | K | B | -1.8869 | |
| 56 | R | B | -2.4457 | |
| 57 | A | B | -1.4412 | |
| 58 | F | B | -0.8613 | |
| 59 | P | B | -1.1353 | |
| 60 | A | B | -1.0099 | |
| 61 | W | B | 0.0000 | |
| 62 | A | B | -0.7804 | |
| 63 | D | B | -2.1195 | |
| 64 | T | B | -1.1458 | |
| 65 | S | B | -0.6999 | |
| 66 | V | B | 0.0000 | |
| 67 | L | B | 0.0132 | |
| 68 | S | B | -0.1923 | |
| 69 | R | B | 0.0000 | |
| 70 | Q | B | 0.0000 | |
| 71 | Q | B | -0.6048 | |
| 72 | V | B | 0.0000 | |
| 73 | L | B | 0.0000 | |
| 74 | L | B | 0.0000 | |
| 75 | R | B | -1.4362 | |
| 76 | Y | B | 0.0000 | |
| 77 | Q | B | 0.0000 | |
| 78 | Q | B | -1.4168 | |
| 79 | L | B | -1.3073 | |
| 80 | I | B | 0.0000 | |
| 81 | K | B | -1.7475 | |
| 82 | E | B | -2.7341 | |
| 83 | N | B | -2.3384 | |
| 84 | L | B | 0.0000 | |
| 85 | K | B | -3.3661 | |
| 86 | E | B | -3.4898 | |
| 87 | I | B | 0.0000 | |
| 88 | A | B | 0.0000 | |
| 89 | K | B | -2.7231 | |
| 90 | L | B | -0.9461 | |
| 91 | I | B | 0.0000 | |
| 92 | T | B | 0.0000 | |
| 93 | L | B | 0.1768 | |
| 94 | E | B | 0.0000 | |
| 95 | Q | B | 0.0000 | |
| 96 | G | B | 0.0000 | |
| 97 | K | B | 0.0000 | |
| 98 | T | B | 0.0000 | |
| 99 | L | B | -1.1643 | |
| 100 | A | B | -0.9982 | |
| 101 | D | B | -0.5537 | |
| 102 | A | B | 0.0000 | |
| 103 | E | B | -1.2212 | |
| 104 | G | B | -0.1589 | |
| 105 | D | B | 0.0000 | |
| 106 | V | B | 0.0000 | |
| 107 | F | B | 0.9767 | |
| 108 | R | B | 0.2971 | |
| 109 | G | B | 0.0000 | |
| 110 | L | B | 0.0000 | |
| 111 | Q | B | 0.0000 | |
| 112 | V | B | 0.0000 | |
| 113 | V | B | 0.0000 | |
| 114 | E | B | 0.0000 | |
| 115 | H | B | 0.0000 | |
| 116 | A | B | 0.0000 | |
| 117 | C | B | 0.0000 | |
| 118 | S | B | 0.0000 | |
| 119 | V | B | 0.0000 | |
| 120 | T | B | 0.0000 | |
| 121 | S | B | -0.1311 | |
| 122 | L | B | -0.0090 | |
| 123 | M | B | 0.0000 | |
| 124 | M | B | -0.1777 | |
| 125 | G | B | 0.0000 | |
| 126 | E | B | -0.7157 | |
| 127 | T | B | 0.0000 | |
| 128 | M | B | 0.0000 | |
| 129 | P | B | -0.2324 | |
| 130 | S | B | -0.9291 | |
| 131 | I | B | 0.0000 | |
| 132 | T | B | -0.8922 | |
| 133 | K | B | -2.1959 | |
| 134 | D | B | -1.8707 | |
| 135 | M | B | -0.8319 | |
| 136 | D | B | 0.0000 | |
| 137 | L | B | 0.0000 | |
| 138 | Y | B | -0.0396 | |
| 139 | S | B | 0.0000 | |
| 140 | Y | B | -0.0846 | |
| 141 | R | B | -0.0728 | |
| 142 | L | B | 0.0665 | |
| 143 | P | B | -0.0390 | |
| 144 | L | B | 0.0000 | |
| 145 | G | B | 0.0000 | |
| 146 | V | B | 0.0000 | |
| 147 | C | B | 0.0000 | |
| 148 | A | B | 0.0000 | |
| 149 | G | B | 0.0000 | |
| 150 | I | B | 0.0000 | |
| 151 | A | B | 0.0000 | |
| 152 | P | B | 0.0821 | |
| 153 | F | B | 0.3045 | |
| 154 | N | B | 0.0000 | |
| 155 | F | B | 0.2181 | |
| 156 | P | B | 0.0000 | |
| 157 | A | B | 0.0000 | |
| 158 | M | B | 0.0000 | |
| 159 | I | B | 0.0000 | |
| 160 | P | B | 0.0000 | |
| 161 | L | B | 0.0000 | |
| 162 | W | B | 0.0000 | |
| 163 | M | B | 0.0000 | |
| 164 | F | B | 0.0000 | |
| 165 | P | B | 0.0000 | |
| 166 | M | B | 0.0000 | |
| 167 | A | B | 0.0000 | |
| 168 | M | B | 0.0000 | |
| 169 | V | B | 0.0000 | |
| 170 | C | B | 0.0000 | |
| 171 | G | B | 0.0000 | |
| 172 | N | B | 0.0000 | |
| 173 | T | B | 0.0000 | |
| 174 | F | B | 0.0000 | |
| 175 | L | B | 0.0000 | |
| 176 | M | B | 0.0000 | |
| 177 | K | B | 0.0000 | |
| 178 | P | B | 0.0000 | |
| 179 | S | B | -0.2940 | |
| 180 | E | B | -0.8429 | |
| 181 | R | B | -0.5739 | |
| 182 | V | B | 0.0000 | |
| 183 | P | B | 0.0000 | |
| 184 | G | B | 0.0896 | |
| 185 | A | B | 0.0000 | |
| 186 | T | B | 0.0000 | |
| 187 | M | B | 0.0000 | |
| 188 | L | B | -0.2462 | |
| 189 | L | B | 0.0000 | |
| 190 | A | B | 0.0000 | |
| 191 | K | B | -1.2834 | |
| 192 | L | B | 0.0000 | |
| 193 | L | B | 0.0000 | |
| 194 | Q | B | -1.9406 | |
| 195 | D | B | -1.6451 | |
| 196 | S | B | 0.0000 | |
| 197 | G | B | -1.3993 | |
| 198 | A | B | -1.2333 | |
| 199 | P | B | -1.3217 | |
| 200 | D | B | -2.4826 | |
| 201 | G | B | 0.0000 | |
| 202 | T | B | 0.0000 | |
| 203 | L | B | 0.0000 | |
| 204 | N | B | 0.0000 | |
| 205 | I | B | 0.0000 | |
| 206 | I | B | 0.0000 | |
| 207 | H | B | 0.0000 | |
| 208 | G | B | 0.0000 | |
| 209 | Q | B | -2.2716 | |
| 210 | H | B | -2.4133 | |
| 211 | E | B | -2.9377 | |
| 212 | A | B | 0.0000 | |
| 213 | V | B | -1.1964 | |
| 214 | N | B | -1.4087 | |
| 215 | F | B | 0.0000 | |
| 216 | I | B | 0.0000 | |
| 217 | C | B | 0.0000 | |
| 218 | D | B | -1.5167 | |
| 219 | H | B | -1.1514 | |
| 220 | P | B | -1.0471 | |
| 221 | D | B | -1.1438 | |
| 222 | I | B | 0.0000 | |
| 223 | K | B | -1.1037 | |
| 224 | A | B | 0.0000 | |
| 225 | I | B | 0.0000 | |
| 226 | S | B | 0.0000 | |
| 227 | F | B | 0.0000 | |
| 228 | V | B | 0.0000 | |
| 229 | G | B | -0.5146 | |
| 230 | S | B | -0.9621 | |
| 231 | N | B | -1.4483 | |
| 232 | K | B | -2.0378 | |
| 233 | A | B | -1.2435 | |
| 234 | G | B | 0.0000 | |
| 235 | E | B | -1.9866 | |
| 236 | Y | B | -0.8138 | |
| 237 | I | B | 0.0000 | |
| 238 | F | B | -1.4701 | |
| 239 | E | B | -2.6428 | |
| 240 | R | B | -2.0336 | |
| 241 | G | B | 0.0000 | |
| 242 | S | B | 0.0000 | |
| 243 | R | B | -3.3122 | |
| 244 | H | B | -2.1417 | |
| 245 | G | B | -2.0123 | |
| 246 | K | B | 0.0000 | |
| 247 | R | B | -0.9483 | |
| 248 | V | B | 0.0000 | |
| 249 | Q | B | 0.0000 | |
| 250 | A | B | 0.0000 | |
| 251 | N | B | 0.0000 | |
| 252 | M | B | 0.0000 | |
| 253 | G | B | 0.0000 | |
| 254 | A | B | 0.0000 | |
| 255 | K | B | 0.0000 | |
| 256 | N | B | 0.0000 | |
| 257 | H | B | 0.0000 | |
| 258 | G | B | 0.0000 | |
| 259 | V | B | 0.0000 | |
| 260 | V | B | 0.0000 | |
| 261 | M | B | 0.0000 | |
| 262 | P | B | -1.6816 | |
| 263 | D | B | -1.5781 | |
| 264 | A | B | 0.0000 | |
| 265 | N | B | -0.7110 | |
| 266 | K | B | -1.2297 | |
| 267 | E | B | -0.2074 | |
| 268 | N | B | 0.0000 | |
| 269 | T | B | 0.0000 | |
| 270 | L | B | 0.0000 | |
| 271 | N | B | 0.2104 | |
| 272 | Q | B | 0.0000 | |
| 273 | L | B | 0.0000 | |
| 274 | V | B | 0.0000 | |
| 275 | G | B | -0.2050 | |
| 276 | A | B | 0.0000 | |
| 277 | A | B | 0.0000 | |
| 278 | F | B | 0.0000 | |
| 279 | G | B | -0.3434 | |
| 280 | A | B | 0.0000 | |
| 281 | A | B | 0.0000 | |
| 282 | G | B | 0.0000 | |
| 283 | Q | B | 0.0000 | |
| 284 | R | B | -0.0567 | |
| 285 | C | B | -0.0213 | |
| 286 | M | B | 0.0000 | |
| 287 | A | B | 0.0000 | |
| 288 | L | B | 0.0000 | |
| 289 | S | B | 0.0000 | |
| 290 | T | B | 0.0000 | |
| 291 | A | B | 0.0000 | |
| 292 | V | B | 0.0000 | |
| 293 | L | B | 0.0000 | |
| 294 | V | B | 0.0000 | |
| 295 | G | B | -2.4396 | |
| 296 | E | B | -3.2086 | |
| 297 | A | B | 0.0000 | |
| 298 | K | B | -2.8571 | |
| 299 | K | B | -2.7711 | |
| 300 | W | B | -1.9969 | |
| 301 | L | B | -1.1434 | |
| 302 | P | B | -1.4599 | |
| 303 | E | B | -2.2687 | |
| 304 | L | B | 0.0000 | |
| 305 | V | B | 0.0000 | |
| 306 | E | B | -3.1147 | |
| 307 | H | B | -2.4031 | |
| 308 | A | B | 0.0000 | |
| 309 | K | B | -3.3568 | |
| 310 | N | B | -2.9092 | |
| 311 | L | B | -2.1769 | |
| 312 | R | B | -2.4943 | |
| 313 | V | B | -1.4355 | |
| 314 | N | B | -1.7027 | |
| 315 | A | B | 0.0000 | |
| 316 | G | B | 0.0000 | |
| 317 | D | B | -2.0104 | |
| 318 | Q | B | -1.4669 | |
| 319 | P | B | -1.1095 | |
| 320 | G | B | -1.3350 | |
| 321 | A | B | -1.4371 | |
| 322 | D | B | -1.4006 | |
| 323 | L | B | 0.0000 | |
| 324 | G | B | 0.0000 | |
| 325 | P | B | 0.0000 | |
| 326 | L | B | 0.0000 | |
| 327 | I | B | 0.0000 | |
| 328 | T | B | -0.9660 | |
| 329 | P | B | -1.6721 | |
| 330 | Q | B | -2.2134 | |
| 331 | A | B | -1.6899 | |
| 332 | K | B | -2.0563 | |
| 333 | E | B | -3.0944 | |
| 334 | R | B | -2.4588 | |
| 335 | V | B | 0.0000 | |
| 336 | C | B | -2.0582 | |
| 337 | N | B | -2.3148 | |
| 338 | L | B | -1.5799 | |
| 339 | I | B | 0.0000 | |
| 340 | D | B | -2.0797 | |
| 341 | S | B | -1.7766 | |
| 342 | G | B | 0.0000 | |
| 343 | T | B | -1.7958 | |
| 344 | K | B | -2.6707 | |
| 345 | E | B | -2.6343 | |
| 346 | G | B | -1.9335 | |
| 347 | A | B | 0.0000 | |
| 348 | S | B | -0.4704 | |
| 349 | I | B | 0.3112 | |
| 350 | L | B | 0.8607 | |
| 351 | L | B | -0.2061 | |
| 352 | D | B | -0.8212 | |
| 353 | G | B | 0.0000 | |
| 354 | R | B | -1.5585 | |
| 355 | K | B | -2.0648 | |
| 356 | I | B | -1.3622 | |
| 357 | K | B | -2.8856 | |
| 358 | V | B | 0.0000 | |
| 359 | K | B | -2.6753 | |
| 360 | G | B | -2.1022 | |
| 361 | Y | B | -2.1557 | |
| 362 | E | B | -3.0985 | |
| 363 | N | B | -2.6515 | |
| 364 | G | B | -1.8135 | |
| 365 | N | B | 0.0000 | |
| 366 | F | B | 0.0000 | |
| 367 | V | B | 0.0000 | |
| 368 | G | B | 0.0000 | |
| 369 | P | B | 0.0000 | |
| 370 | T | B | 0.0000 | |
| 371 | I | B | 0.0000 | |
| 372 | I | B | 0.0000 | |
| 373 | S | B | 0.0000 | |
| 374 | N | B | -1.9380 | |
| 375 | V | B | 0.0000 | |
| 376 | K | B | -2.9361 | |
| 377 | P | B | -2.0226 | |
| 378 | N | B | -2.3451 | |
| 379 | M | B | 0.0000 | |
| 380 | T | B | -1.7589 | |
| 381 | C | B | 0.0000 | |
| 382 | Y | B | 0.0000 | |
| 383 | K | B | -2.5562 | |
| 384 | E | B | -1.5047 | |
| 385 | E | B | -0.8122 | |
| 386 | I | B | 0.0000 | |
| 387 | F | B | 0.0820 | |
| 388 | G | B | 0.0000 | |
| 389 | P | B | 0.0000 | |
| 390 | V | B | 0.0000 | |
| 391 | L | B | 0.0000 | |
| 392 | V | B | 0.0000 | |
| 393 | V | B | 0.0000 | |
| 394 | L | B | 0.0000 | |
| 395 | E | B | -2.5133 | |
| 396 | T | B | 0.0000 | |
| 397 | E | B | -2.9487 | |
| 398 | T | B | -2.1048 | |
| 399 | L | B | 0.0000 | |
| 400 | D | B | -2.4281 | |
| 401 | E | B | -2.7079 | |
| 402 | A | B | 0.0000 | |
| 403 | I | B | 0.0000 | |
| 404 | Q | B | -2.2117 | |
| 405 | I | B | -1.5015 | |
| 406 | V | B | 0.0000 | |
| 407 | N | B | -1.8186 | |
| 408 | N | B | -1.8689 | |
| 409 | N | B | 0.0000 | |
| 410 | P | B | -1.1104 | |
| 411 | Y | B | -0.7680 | |
| 412 | G | B | 0.0000 | |
| 413 | N | B | 0.0000 | |
| 414 | G | B | 0.0000 | |
| 415 | T | B | 0.0000 | |
| 416 | A | B | 0.0000 | |
| 417 | I | B | 0.0000 | |
| 418 | F | B | 0.0000 | |
| 419 | T | B | 0.0000 | |
| 420 | T | B | -0.5517 | |
| 421 | N | B | -0.4981 | |
| 422 | G | B | 0.0000 | |
| 423 | A | B | 0.0000 | |
| 424 | T | B | 0.0000 | |
| 425 | A | B | 0.0000 | |
| 426 | R | B | -0.6327 | |
| 427 | K | B | -1.1178 | |
| 428 | Y | B | 0.0000 | |
| 429 | A | B | 0.0000 | |
| 430 | H | B | -0.8897 | |
| 431 | L | B | -0.5509 | |
| 432 | V | B | 0.0000 | |
| 433 | D | B | -2.1242 | |
| 434 | V | B | 0.0000 | |
| 435 | G | B | 0.0000 | |
| 436 | Q | B | 0.0000 | |
| 437 | V | B | 0.0000 | |
| 438 | G | B | 0.0000 | |
| 439 | V | B | 0.0000 | |
| 440 | N | B | -0.0708 | |
| 441 | V | B | 0.0000 | |
| 442 | P | B | 0.0000 | |
| 443 | I | B | 0.5843 | |
| 444 | P | B | 0.0000 | |
| 445 | V | B | 0.3959 | |
| 446 | P | B | 0.0000 | |
| 447 | L | B | 0.0000 | |
| 448 | P | B | 0.0000 | |
| 449 | M | B | 0.0000 | |
| 450 | F | B | 0.0000 | |
| 451 | S | B | 0.0000 | |
| 452 | F | B | 0.0000 | |
| 453 | T | B | 0.0000 | |
| 454 | G | B | -0.4581 | |
| 455 | S | B | -0.8862 | |
| 456 | R | B | -1.3659 | |
| 457 | S | B | -0.7328 | |
| 458 | S | B | 0.0000 | |
| 459 | F | B | 0.0000 | |
| 460 | R | B | -0.9490 | |
| 461 | G | B | -0.7291 | |
| 462 | D | B | -0.8329 | |
| 463 | T | B | 0.0000 | |
| 464 | N | B | -0.5016 | |
| 465 | F | B | 0.0000 | |
| 466 | Y | B | 0.0000 | |
| 467 | G | B | 0.0000 | |
| 468 | K | B | -0.8628 | |
| 469 | Q | B | -0.6852 | |
| 470 | G | B | 0.0000 | |
| 471 | I | B | 0.0000 | |
| 472 | Q | B | -0.5463 | |
| 473 | F | B | 0.0000 | |
| 474 | Y | B | 0.0000 | |
| 475 | T | B | 0.0000 | |
| 476 | Q | B | -0.3485 | |
| 477 | L | B | -0.0495 | |
| 478 | K | B | 0.0000 | |
| 479 | T | B | 0.0000 | |
| 480 | I | B | 0.0000 | |
| 481 | T | B | 0.0000 | |
| 482 | S | B | 0.0000 | |
| 483 | Q | B | 0.0000 | |
| 484 | W | B | -1.2458 | |
| 485 | K | B | -2.3396 | |
| 486 | E | B | -2.8115 | |
| 487 | E | B | -2.5960 | |
| 488 | D | B | -1.4305 | |
| 489 | A | B | -0.9499 | |
| 490 | T | B | -0.2397 | |
| 491 | L | B | 0.6739 | |
| 492 | S | B | 0.0105 | |
| 493 | S | B | -0.1196 | |
| 494 | P | B | -0.0619 | |
| 495 | A | B | 0.6489 | |
| 496 | V | B | 2.2652 | |
| 497 | V | B | 2.6003 | |
| 498 | M | B | 1.3713 | |
| 499 | P | B | 0.5940 | |
| 500 | T | B | 0.5491 | |
| 501 | M | B | 0.7216 | |
| 3 | S | C | -0.2236 | |
| 4 | S | C | -0.0881 | |
| 5 | V | C | 0.1833 | |
| 6 | P | C | -0.2178 | |
| 7 | T | C | -0.5531 | |
| 8 | V | C | -0.4028 | |
| 9 | K | C | -0.8417 | |
| 10 | L | C | 0.0000 | |
| 11 | F | C | 0.0000 | |
| 12 | I | C | -0.3601 | |
| 13 | G | C | -1.0623 | |
| 14 | G | C | 0.0000 | |
| 15 | K | C | -1.8246 | |
| 16 | F | C | -0.3562 | |
| 17 | V | C | -0.4911 | |
| 18 | E | C | -1.7428 | |
| 19 | S | C | 0.0000 | |
| 20 | K | C | -2.6672 | |
| 21 | S | C | 0.0000 | |
| 22 | D | C | -2.9929 | |
| 23 | K | C | -2.6716 | |
| 24 | W | C | -1.2521 | |
| 25 | I | C | -0.7647 | |
| 26 | D | C | -1.2827 | |
| 27 | I | C | 0.0000 | |
| 28 | H | C | -1.1547 | |
| 29 | N | C | -0.9187 | |
| 30 | P | C | 0.0000 | |
| 31 | A | C | 0.0000 | |
| 32 | T | C | -1.6235 | |
| 33 | N | C | -1.7656 | |
| 34 | E | C | -2.1564 | |
| 35 | V | C | -0.8492 | |
| 36 | I | C | -0.2067 | |
| 37 | G | C | 0.0000 | |
| 38 | R | C | -0.8877 | |
| 39 | V | C | 0.0000 | |
| 40 | P | C | 0.0000 | |
| 41 | Q | C | -1.8844 | |
| 42 | A | C | 0.0000 | |
| 43 | T | C | -2.0444 | |
| 44 | K | C | -2.1711 | |
| 45 | A | C | -1.2481 | |
| 46 | E | C | -1.1080 | |
| 47 | M | C | 0.0000 | |
| 48 | D | C | -1.1002 | |
| 49 | A | C | -0.6153 | |
| 50 | A | C | 0.0000 | |
| 51 | I | C | 0.0000 | |
| 52 | A | C | -1.0053 | |
| 53 | S | C | -1.2236 | |
| 54 | C | C | 0.0000 | |
| 55 | K | C | -1.8257 | |
| 56 | R | C | -2.4142 | |
| 57 | A | C | 0.0000 | |
| 58 | F | C | -0.7879 | |
| 59 | P | C | -1.0467 | |
| 60 | A | C | -0.9074 | |
| 61 | W | C | 0.0000 | |
| 62 | A | C | -0.6383 | |
| 63 | D | C | -1.8385 | |
| 64 | T | C | -1.0349 | |
| 65 | S | C | -0.6981 | |
| 66 | V | C | 0.0000 | |
| 67 | L | C | 0.0000 | |
| 68 | S | C | -0.2340 | |
| 69 | R | C | 0.0000 | |
| 70 | Q | C | 0.0000 | |
| 71 | Q | C | -0.5508 | |
| 72 | V | C | -0.6633 | |
| 73 | L | C | 0.0000 | |
| 74 | L | C | 0.0000 | |
| 75 | R | C | -1.4915 | |
| 76 | Y | C | 0.0000 | |
| 77 | Q | C | 0.0000 | |
| 78 | Q | C | -1.6533 | |
| 79 | L | C | -1.3810 | |
| 80 | I | C | 0.0000 | |
| 81 | K | C | -1.6916 | |
| 82 | E | C | -2.7296 | |
| 83 | N | C | -2.3047 | |
| 84 | L | C | 0.0000 | |
| 85 | K | C | -3.4185 | |
| 86 | E | C | -3.4004 | |
| 87 | I | C | 0.0000 | |
| 88 | A | C | 0.0000 | |
| 89 | K | C | -2.4321 | |
| 90 | L | C | -0.7413 | |
| 91 | I | C | 0.0000 | |
| 92 | T | C | 0.0000 | |
| 93 | L | C | 0.3808 | |
| 94 | E | C | 0.0000 | |
| 95 | Q | C | 0.0000 | |
| 96 | G | C | 0.0000 | |
| 97 | K | C | 0.0000 | |
| 98 | T | C | 0.0000 | |
| 99 | L | C | -1.1744 | |
| 100 | A | C | -1.0404 | |
| 101 | D | C | -0.5393 | |
| 102 | A | C | 0.0000 | |
| 103 | E | C | -1.1152 | |
| 104 | G | C | -0.1463 | |
| 105 | D | C | 0.0000 | |
| 106 | V | C | 0.0000 | |
| 107 | F | C | 0.9015 | |
| 108 | R | C | 0.1468 | |
| 109 | G | C | 0.0000 | |
| 110 | L | C | 0.0000 | |
| 111 | Q | C | 0.1230 | |
| 112 | V | C | 0.0000 | |
| 113 | V | C | 0.0000 | |
| 114 | E | C | 0.0000 | |
| 115 | H | C | 0.0000 | |
| 116 | A | C | 0.0000 | |
| 117 | C | C | 0.0000 | |
| 118 | S | C | 0.0000 | |
| 119 | V | C | 0.0000 | |
| 120 | T | C | 0.0000 | |
| 121 | S | C | -0.0902 | |
| 122 | L | C | 0.0000 | |
| 123 | M | C | 0.0000 | |
| 124 | M | C | 0.0075 | |
| 125 | G | C | 0.0000 | |
| 126 | E | C | -0.1997 | |
| 127 | T | C | 0.0000 | |
| 128 | M | C | 0.0000 | |
| 129 | P | C | -0.1955 | |
| 130 | S | C | -0.9227 | |
| 131 | I | C | 0.0000 | |
| 132 | T | C | -0.8803 | |
| 133 | K | C | -2.1103 | |
| 134 | D | C | -1.8878 | |
| 135 | M | C | -0.7449 | |
| 136 | D | C | 0.0000 | |
| 137 | L | C | 0.0000 | |
| 138 | Y | C | 0.0912 | |
| 139 | S | C | 0.0000 | |
| 140 | Y | C | 0.0000 | |
| 141 | R | C | 0.0000 | |
| 142 | L | C | 0.1213 | |
| 143 | P | C | 0.0113 | |
| 144 | L | C | 0.0000 | |
| 145 | G | C | 0.0000 | |
| 146 | V | C | 0.0000 | |
| 147 | C | C | 0.0000 | |
| 148 | A | C | 0.0000 | |
| 149 | G | C | 0.0000 | |
| 150 | I | C | 0.0000 | |
| 151 | A | C | 0.0000 | |
| 152 | P | C | 0.1003 | |
| 153 | F | C | 0.2949 | |
| 154 | N | C | 0.0000 | |
| 155 | F | C | 0.2162 | |
| 156 | P | C | 0.0000 | |
| 157 | A | C | 0.0000 | |
| 158 | M | C | 0.0000 | |
| 159 | I | C | 0.0000 | |
| 160 | P | C | 0.0000 | |
| 161 | L | C | 0.0000 | |
| 162 | W | C | 0.0000 | |
| 163 | M | C | 0.0000 | |
| 164 | F | C | 0.0000 | |
| 165 | P | C | 0.0000 | |
| 166 | M | C | 0.0000 | |
| 167 | A | C | 0.0000 | |
| 168 | M | C | 0.0000 | |
| 169 | V | C | 0.0000 | |
| 170 | C | C | 0.0000 | |
| 171 | G | C | 0.0000 | |
| 172 | N | C | 0.0000 | |
| 173 | T | C | 0.0000 | |
| 174 | F | C | 0.0000 | |
| 175 | L | C | 0.0000 | |
| 176 | M | C | 0.0000 | |
| 177 | K | C | 0.0000 | |
| 178 | P | C | 0.0000 | |
| 179 | S | C | 0.0000 | |
| 180 | E | C | -0.5951 | |
| 181 | R | C | -0.5058 | |
| 182 | V | C | 0.0000 | |
| 183 | P | C | 0.0000 | |
| 184 | G | C | 0.1306 | |
| 185 | A | C | 0.0000 | |
| 186 | T | C | 0.0000 | |
| 187 | M | C | -0.0514 | |
| 188 | L | C | -0.3408 | |
| 189 | L | C | 0.0000 | |
| 190 | A | C | 0.0000 | |
| 191 | K | C | -1.5119 | |
| 192 | L | C | 0.0000 | |
| 193 | L | C | 0.0000 | |
| 194 | Q | C | -1.9887 | |
| 195 | D | C | -1.6031 | |
| 196 | S | C | 0.0000 | |
| 197 | G | C | -1.3338 | |
| 198 | A | C | -1.1860 | |
| 199 | P | C | -1.2973 | |
| 200 | D | C | -2.4932 | |
| 201 | G | C | 0.0000 | |
| 202 | T | C | 0.0000 | |
| 203 | L | C | 0.0000 | |
| 204 | N | C | 0.0000 | |
| 205 | I | C | 0.0000 | |
| 206 | I | C | 0.0000 | |
| 207 | H | C | 0.0000 | |
| 208 | G | C | 0.0000 | |
| 209 | Q | C | -1.7280 | |
| 210 | H | C | -2.3218 | |
| 211 | E | C | -2.8834 | |
| 212 | A | C | 0.0000 | |
| 213 | V | C | 0.0000 | |
| 214 | N | C | -1.5356 | |
| 215 | F | C | 0.0000 | |
| 216 | I | C | 0.0000 | |
| 217 | C | C | 0.0000 | |
| 218 | D | C | -1.4180 | |
| 219 | H | C | -1.0493 | |
| 220 | P | C | -1.0510 | |
| 221 | D | C | -1.1412 | |
| 222 | I | C | 0.0000 | |
| 223 | K | C | -1.1009 | |
| 224 | A | C | 0.0000 | |
| 225 | I | C | 0.0000 | |
| 226 | S | C | 0.0000 | |
| 227 | F | C | 0.0000 | |
| 228 | V | C | 0.0000 | |
| 229 | G | C | -0.4582 | |
| 230 | S | C | -0.8580 | |
| 231 | N | C | -1.2464 | |
| 232 | K | C | -1.9005 | |
| 233 | A | C | -1.0946 | |
| 234 | G | C | 0.0000 | |
| 235 | E | C | -1.7547 | |
| 236 | Y | C | -0.5354 | |
| 237 | I | C | 0.0000 | |
| 238 | F | C | -1.2794 | |
| 239 | E | C | -2.3198 | |
| 240 | R | C | -1.8875 | |
| 241 | G | C | 0.0000 | |
| 242 | S | C | 0.0000 | |
| 243 | R | C | -3.2960 | |
| 244 | H | C | -2.2566 | |
| 245 | G | C | -1.9770 | |
| 246 | K | C | 0.0000 | |
| 247 | R | C | -0.9287 | |
| 248 | V | C | 0.0000 | |
| 249 | Q | C | 0.0000 | |
| 250 | A | C | 0.0000 | |
| 251 | N | C | 0.0000 | |
| 252 | M | C | 0.0000 | |
| 253 | G | C | 0.0000 | |
| 254 | A | C | 0.0000 | |
| 255 | K | C | 0.0000 | |
| 256 | N | C | 0.0000 | |
| 257 | H | C | 0.0000 | |
| 258 | G | C | 0.0000 | |
| 259 | V | C | 0.0000 | |
| 260 | V | C | 0.0000 | |
| 261 | M | C | 0.0000 | |
| 262 | P | C | -1.6830 | |
| 263 | D | C | -1.5206 | |
| 264 | A | C | 0.0000 | |
| 265 | N | C | -0.5897 | |
| 266 | K | C | -0.9538 | |
| 267 | E | C | 0.0472 | |
| 268 | N | C | 0.0000 | |
| 269 | T | C | 0.0000 | |
| 270 | L | C | 0.0000 | |
| 271 | N | C | 0.1893 | |
| 272 | Q | C | 0.0000 | |
| 273 | L | C | 0.0000 | |
| 274 | V | C | 0.0000 | |
| 275 | G | C | -0.3108 | |
| 276 | A | C | 0.0000 | |
| 277 | A | C | 0.0000 | |
| 278 | F | C | 0.0000 | |
| 279 | G | C | -0.4886 | |
| 280 | A | C | -0.4530 | |
| 281 | A | C | 0.0000 | |
| 282 | G | C | 0.0000 | |
| 283 | Q | C | 0.0000 | |
| 284 | R | C | -0.1064 | |
| 285 | C | C | 0.0000 | |
| 286 | M | C | 0.0000 | |
| 287 | A | C | 0.0000 | |
| 288 | L | C | 0.0000 | |
| 289 | S | C | 0.0065 | |
| 290 | T | C | 0.0000 | |
| 291 | A | C | 0.0000 | |
| 292 | V | C | 0.0000 | |
| 293 | L | C | 0.0000 | |
| 294 | V | C | 0.0000 | |
| 295 | G | C | -2.3473 | |
| 296 | E | C | -3.2121 | |
| 297 | A | C | 0.0000 | |
| 298 | K | C | -2.9898 | |
| 299 | K | C | -2.8642 | |
| 300 | W | C | -1.9609 | |
| 301 | L | C | -1.1385 | |
| 302 | P | C | -1.4089 | |
| 303 | E | C | -2.0834 | |
| 304 | L | C | 0.0000 | |
| 305 | V | C | 0.0000 | |
| 306 | E | C | -3.0008 | |
| 307 | H | C | -2.3968 | |
| 308 | A | C | 0.0000 | |
| 309 | K | C | -3.3689 | |
| 310 | N | C | -3.0300 | |
| 311 | L | C | -2.4350 | |
| 312 | R | C | -2.8016 | |
| 313 | V | C | -1.4747 | |
| 314 | N | C | -1.8324 | |
| 315 | A | C | 0.0000 | |
| 316 | G | C | 0.0000 | |
| 317 | D | C | -2.1237 | |
| 318 | Q | C | -1.6968 | |
| 319 | P | C | -1.2879 | |
| 320 | G | C | -1.6063 | |
| 321 | A | C | -1.9277 | |
| 322 | D | C | -2.2984 | |
| 323 | L | C | 0.0000 | |
| 324 | G | C | 0.0000 | |
| 325 | P | C | 0.0000 | |
| 326 | L | C | 0.0000 | |
| 327 | I | C | 0.0000 | |
| 328 | T | C | -1.0138 | |
| 329 | P | C | -1.7308 | |
| 330 | Q | C | -2.2305 | |
| 331 | A | C | -1.7005 | |
| 332 | K | C | -2.0822 | |
| 333 | E | C | -3.0928 | |
| 334 | R | C | -2.4023 | |
| 335 | V | C | 0.0000 | |
| 336 | C | C | -2.0026 | |
| 337 | N | C | -2.2351 | |
| 338 | L | C | -1.4894 | |
| 339 | I | C | 0.0000 | |
| 340 | D | C | -1.8868 | |
| 341 | S | C | -1.6705 | |
| 342 | G | C | 0.0000 | |
| 343 | T | C | -1.6513 | |
| 344 | K | C | -2.5333 | |
| 345 | E | C | -2.4095 | |
| 346 | G | C | -1.7063 | |
| 347 | A | C | 0.0000 | |
| 348 | S | C | -0.2855 | |
| 349 | I | C | 0.4138 | |
| 350 | L | C | 0.7126 | |
| 351 | L | C | -0.2357 | |
| 352 | D | C | -0.9095 | |
| 353 | G | C | 0.0000 | |
| 354 | R | C | -1.5536 | |
| 355 | K | C | -2.0398 | |
| 356 | I | C | -1.2931 | |
| 357 | K | C | -2.8030 | |
| 358 | V | C | 0.0000 | |
| 359 | K | C | -2.6409 | |
| 360 | G | C | -2.0415 | |
| 361 | Y | C | -2.0547 | |
| 362 | E | C | -2.9979 | |
| 363 | N | C | -2.6286 | |
| 364 | G | C | -1.7642 | |
| 365 | N | C | 0.0000 | |
| 366 | F | C | 0.0000 | |
| 367 | V | C | 0.0000 | |
| 368 | G | C | 0.0000 | |
| 369 | P | C | 0.0000 | |
| 370 | T | C | 0.0000 | |
| 371 | I | C | 0.0000 | |
| 372 | I | C | 0.0000 | |
| 373 | S | C | 0.0000 | |
| 374 | N | C | -1.2337 | |
| 375 | V | C | 0.0000 | |
| 376 | K | C | -2.4718 | |
| 377 | P | C | -1.9302 | |
| 378 | N | C | -2.2636 | |
| 379 | M | C | 0.0000 | |
| 380 | T | C | -1.5715 | |
| 381 | C | C | 0.0000 | |
| 382 | Y | C | 0.0000 | |
| 383 | K | C | -2.4809 | |
| 384 | E | C | -1.3925 | |
| 385 | E | C | 0.0000 | |
| 386 | I | C | 0.0000 | |
| 387 | F | C | 0.1258 | |
| 388 | G | C | 0.0000 | |
| 389 | P | C | 0.0000 | |
| 390 | V | C | 0.0000 | |
| 391 | L | C | 0.0000 | |
| 392 | V | C | 0.0000 | |
| 393 | V | C | 0.0000 | |
| 394 | L | C | 0.0000 | |
| 395 | E | C | -1.9874 | |
| 396 | T | C | 0.0000 | |
| 397 | E | C | -2.8449 | |
| 398 | T | C | -2.0493 | |
| 399 | L | C | 0.0000 | |
| 400 | D | C | -2.5287 | |
| 401 | E | C | -2.5502 | |
| 402 | A | C | 0.0000 | |
| 403 | I | C | 0.0000 | |
| 404 | Q | C | -2.3036 | |
| 405 | I | C | -1.4692 | |
| 406 | V | C | 0.0000 | |
| 407 | N | C | -1.8152 | |
| 408 | N | C | -1.9172 | |
| 409 | N | C | 0.0000 | |
| 410 | P | C | -1.1699 | |
| 411 | Y | C | -0.7789 | |
| 412 | G | C | 0.0000 | |
| 413 | N | C | 0.0000 | |
| 414 | G | C | 0.0000 | |
| 415 | T | C | 0.0000 | |
| 416 | A | C | 0.0000 | |
| 417 | I | C | 0.0000 | |
| 418 | F | C | 0.0000 | |
| 419 | T | C | 0.0000 | |
| 420 | T | C | -0.5379 | |
| 421 | N | C | -0.4595 | |
| 422 | G | C | 0.0000 | |
| 423 | A | C | 0.0000 | |
| 424 | T | C | 0.0000 | |
| 425 | A | C | 0.0000 | |
| 426 | R | C | -0.6518 | |
| 427 | K | C | -1.1625 | |
| 428 | Y | C | 0.0000 | |
| 429 | A | C | 0.0000 | |
| 430 | H | C | -0.8029 | |
| 431 | L | C | -0.4140 | |
| 432 | V | C | 0.0000 | |
| 433 | D | C | -2.0511 | |
| 434 | V | C | 0.0000 | |
| 435 | G | C | -0.6246 | |
| 436 | Q | C | 0.0000 | |
| 437 | V | C | 0.0000 | |
| 438 | G | C | 0.0000 | |
| 439 | V | C | 0.0000 | |
| 440 | N | C | -0.1162 | |
| 441 | V | C | 0.0000 | |
| 442 | P | C | 0.0000 | |
| 443 | I | C | 0.4853 | |
| 444 | P | C | 0.0000 | |
| 445 | V | C | 0.3572 | |
| 446 | P | C | 0.0000 | |
| 447 | L | C | 0.0000 | |
| 448 | P | C | 0.0000 | |
| 449 | M | C | 0.0000 | |
| 450 | F | C | 0.0000 | |
| 451 | S | C | 0.0000 | |
| 452 | F | C | 0.0000 | |
| 453 | T | C | 0.0000 | |
| 454 | G | C | -0.4083 | |
| 455 | S | C | -0.8987 | |
| 456 | R | C | -1.3833 | |
| 457 | S | C | -0.7135 | |
| 458 | S | C | 0.0000 | |
| 459 | F | C | 0.0000 | |
| 460 | R | C | -0.8715 | |
| 461 | G | C | -0.6630 | |
| 462 | D | C | -0.6583 | |
| 463 | T | C | 0.0000 | |
| 464 | N | C | 0.0000 | |
| 465 | F | C | 0.0000 | |
| 466 | Y | C | 0.0000 | |
| 467 | G | C | 0.0000 | |
| 468 | K | C | -1.0015 | |
| 469 | Q | C | -0.6280 | |
| 470 | G | C | 0.0000 | |
| 471 | I | C | 0.0000 | |
| 472 | Q | C | 0.0000 | |
| 473 | F | C | 0.0000 | |
| 474 | Y | C | 0.0000 | |
| 475 | T | C | 0.0000 | |
| 476 | Q | C | -0.3122 | |
| 477 | L | C | -0.0528 | |
| 478 | K | C | -0.2904 | |
| 479 | T | C | 0.0000 | |
| 480 | I | C | 0.0000 | |
| 481 | T | C | 0.0000 | |
| 482 | S | C | 0.0000 | |
| 483 | Q | C | 0.0000 | |
| 484 | W | C | -0.9693 | |
| 485 | K | C | -1.7881 | |
| 486 | E | C | -2.2715 | |
| 487 | E | C | -2.3029 | |
| 488 | D | C | -1.1705 | |
| 489 | A | C | -0.7881 | |
| 490 | T | C | -0.1575 | |
| 491 | L | C | 0.7263 | |
| 492 | S | C | 0.0150 | |
| 493 | S | C | -0.1268 | |
| 494 | P | C | -0.0410 | |
| 495 | A | C | 0.7696 | |
| 496 | V | C | 2.3490 | |
| 497 | V | C | 2.6923 | |
| 498 | M | C | 1.5290 | |
| 499 | P | C | 0.6772 | |
| 500 | T | C | 0.5754 | |
| 501 | M | C | 0.7126 | |
| 3 | S | D | -0.1986 | |
| 4 | S | D | -0.0230 | |
| 5 | V | D | 0.3250 | |
| 6 | P | D | -0.1362 | |
| 7 | T | D | -0.7207 | |
| 8 | V | D | -0.8424 | |
| 9 | K | D | -1.6323 | |
| 10 | L | D | 0.0000 | |
| 11 | F | D | 0.0000 | |
| 12 | I | D | -0.7352 | |
| 13 | G | D | -1.2587 | |
| 14 | G | D | 0.0000 | |
| 15 | K | D | -2.1602 | |
| 16 | F | D | -0.9778 | |
| 17 | V | D | -0.9305 | |
| 18 | E | D | -2.3062 | |
| 19 | S | D | 0.0000 | |
| 20 | K | D | -2.7486 | |
| 21 | S | D | -2.7243 | |
| 22 | D | D | -3.0195 | |
| 23 | K | D | -2.7439 | |
| 24 | W | D | -1.3268 | |
| 25 | I | D | -0.8187 | |
| 26 | D | D | -1.0616 | |
| 27 | I | D | 0.0000 | |
| 28 | H | D | -1.0563 | |
| 29 | N | D | -0.8605 | |
| 30 | P | D | 0.0000 | |
| 31 | A | D | 0.0000 | |
| 32 | T | D | -1.5366 | |
| 33 | N | D | -1.6807 | |
| 34 | E | D | -2.0637 | |
| 35 | V | D | -0.6829 | |
| 36 | I | D | -0.0874 | |
| 37 | G | D | 0.0000 | |
| 38 | R | D | -0.9866 | |
| 39 | V | D | 0.0000 | |
| 40 | P | D | 0.0000 | |
| 41 | Q | D | -1.9728 | |
| 42 | A | D | 0.0000 | |
| 43 | T | D | -2.1453 | |
| 44 | K | D | -2.3476 | |
| 45 | A | D | -1.4503 | |
| 46 | E | D | -1.2808 | |
| 47 | M | D | 0.0000 | |
| 48 | D | D | -1.6870 | |
| 49 | A | D | -0.9296 | |
| 50 | A | D | 0.0000 | |
| 51 | I | D | 0.0000 | |
| 52 | A | D | -1.1900 | |
| 53 | S | D | -1.3680 | |
| 54 | C | D | 0.0000 | |
| 55 | K | D | -1.8508 | |
| 56 | R | D | -2.2763 | |
| 57 | A | D | -1.4638 | |
| 58 | F | D | -0.8820 | |
| 59 | P | D | -1.1141 | |
| 60 | A | D | -0.9672 | |
| 61 | W | D | 0.0000 | |
| 62 | A | D | -0.7169 | |
| 63 | D | D | -1.9856 | |
| 64 | T | D | -1.1026 | |
| 65 | S | D | -0.6903 | |
| 66 | V | D | 0.0000 | |
| 67 | L | D | 0.0000 | |
| 68 | S | D | -0.2612 | |
| 69 | R | D | 0.0000 | |
| 70 | Q | D | 0.0000 | |
| 71 | Q | D | -0.7056 | |
| 72 | V | D | 0.0000 | |
| 73 | L | D | 0.0000 | |
| 74 | L | D | 0.0000 | |
| 75 | R | D | -1.8962 | |
| 76 | Y | D | 0.0000 | |
| 77 | Q | D | 0.0000 | |
| 78 | Q | D | -1.7307 | |
| 79 | L | D | -1.5537 | |
| 80 | I | D | 0.0000 | |
| 81 | K | D | -1.8100 | |
| 82 | E | D | -2.7793 | |
| 83 | N | D | -2.3981 | |
| 84 | L | D | 0.0000 | |
| 85 | K | D | -3.4539 | |
| 86 | E | D | -3.3463 | |
| 87 | I | D | 0.0000 | |
| 88 | A | D | 0.0000 | |
| 89 | K | D | -2.5414 | |
| 90 | L | D | -0.8319 | |
| 91 | I | D | 0.0000 | |
| 92 | T | D | 0.0000 | |
| 93 | L | D | 0.1562 | |
| 94 | E | D | 0.0000 | |
| 95 | Q | D | 0.0000 | |
| 96 | G | D | 0.0000 | |
| 97 | K | D | 0.0000 | |
| 98 | T | D | 0.0000 | |
| 99 | L | D | -1.1690 | |
| 100 | A | D | -0.8049 | |
| 101 | D | D | -0.4943 | |
| 102 | A | D | 0.0000 | |
| 103 | E | D | -1.2527 | |
| 104 | G | D | -0.3629 | |
| 105 | D | D | 0.0000 | |
| 106 | V | D | 0.0000 | |
| 107 | F | D | 0.2854 | |
| 108 | R | D | -1.0752 | |
| 109 | G | D | 0.0000 | |
| 110 | L | D | 0.0000 | |
| 111 | Q | D | -0.3474 | |
| 112 | V | D | 0.0000 | |
| 113 | V | D | 0.0000 | |
| 114 | E | D | 0.0000 | |
| 115 | H | D | 0.0000 | |
| 116 | A | D | 0.0000 | |
| 117 | C | D | 0.0000 | |
| 118 | S | D | 0.0000 | |
| 119 | V | D | 0.0000 | |
| 120 | T | D | 0.0000 | |
| 121 | S | D | -0.0832 | |
| 122 | L | D | -0.0364 | |
| 123 | M | D | 0.0000 | |
| 124 | M | D | -0.1383 | |
| 125 | G | D | 0.0000 | |
| 126 | E | D | -0.9717 | |
| 127 | T | D | 0.0000 | |
| 128 | M | D | 0.0000 | |
| 129 | P | D | -0.3394 | |
| 130 | S | D | -0.9410 | |
| 131 | I | D | 0.0000 | |
| 132 | T | D | -0.9170 | |
| 133 | K | D | -2.2363 | |
| 134 | D | D | -1.9159 | |
| 135 | M | D | 0.0000 | |
| 136 | D | D | 0.0000 | |
| 137 | L | D | 0.0000 | |
| 138 | Y | D | -0.1667 | |
| 139 | S | D | 0.0000 | |
| 140 | Y | D | 0.0000 | |
| 141 | R | D | 0.0000 | |
| 142 | L | D | 0.1506 | |
| 143 | P | D | -0.0408 | |
| 144 | L | D | 0.0000 | |
| 145 | G | D | 0.0000 | |
| 146 | V | D | 0.0000 | |
| 147 | C | D | 0.0000 | |
| 148 | A | D | 0.0000 | |
| 149 | G | D | 0.0000 | |
| 150 | I | D | 0.0000 | |
| 151 | A | D | 0.0000 | |
| 152 | P | D | 0.0941 | |
| 153 | F | D | 0.3047 | |
| 154 | N | D | 0.0000 | |
| 155 | F | D | 0.2344 | |
| 156 | P | D | 0.0000 | |
| 157 | A | D | 0.0000 | |
| 158 | M | D | 0.0000 | |
| 159 | I | D | 0.0000 | |
| 160 | P | D | 0.0000 | |
| 161 | L | D | 0.0000 | |
| 162 | W | D | 0.0000 | |
| 163 | M | D | 0.0000 | |
| 164 | F | D | 0.0000 | |
| 165 | P | D | 0.0000 | |
| 166 | M | D | 0.0000 | |
| 167 | A | D | 0.0000 | |
| 168 | M | D | 0.0000 | |
| 169 | V | D | 0.0000 | |
| 170 | C | D | 0.0000 | |
| 171 | G | D | 0.0000 | |
| 172 | N | D | 0.0000 | |
| 173 | T | D | 0.0000 | |
| 174 | F | D | 0.0000 | |
| 175 | L | D | 0.0000 | |
| 176 | M | D | 0.0000 | |
| 177 | K | D | 0.0000 | |
| 178 | P | D | 0.0000 | |
| 179 | S | D | -0.1875 | |
| 180 | E | D | -0.6359 | |
| 181 | R | D | -0.4934 | |
| 182 | V | D | 0.0000 | |
| 183 | P | D | 0.0000 | |
| 184 | G | D | -0.0051 | |
| 185 | A | D | 0.0000 | |
| 186 | T | D | 0.0000 | |
| 187 | M | D | 0.0000 | |
| 188 | L | D | -0.4687 | |
| 189 | L | D | 0.0000 | |
| 190 | A | D | 0.0000 | |
| 191 | K | D | -1.8208 | |
| 192 | L | D | 0.0000 | |
| 193 | L | D | 0.0000 | |
| 194 | Q | D | -2.4749 | |
| 195 | D | D | -2.6179 | |
| 196 | S | D | 0.0000 | |
| 197 | G | D | -1.6095 | |
| 198 | A | D | -1.5157 | |
| 199 | P | D | -1.4635 | |
| 200 | D | D | -2.3581 | |
| 201 | G | D | 0.0000 | |
| 202 | T | D | 0.0000 | |
| 203 | L | D | 0.0000 | |
| 204 | N | D | 0.0000 | |
| 205 | I | D | 0.0000 | |
| 206 | I | D | 0.0000 | |
| 207 | H | D | 0.0000 | |
| 208 | G | D | 0.0000 | |
| 209 | Q | D | -1.7773 | |
| 210 | H | D | -2.3472 | |
| 211 | E | D | -2.9151 | |
| 212 | A | D | 0.0000 | |
| 213 | V | D | 0.0000 | |
| 214 | N | D | -1.5785 | |
| 215 | F | D | 0.0000 | |
| 216 | I | D | 0.0000 | |
| 217 | C | D | 0.0000 | |
| 218 | D | D | -1.5467 | |
| 219 | H | D | -1.1898 | |
| 220 | P | D | -1.1111 | |
| 221 | D | D | -1.1445 | |
| 222 | I | D | 0.0000 | |
| 223 | K | D | -1.5205 | |
| 224 | A | D | 0.0000 | |
| 225 | I | D | 0.0000 | |
| 226 | S | D | 0.0000 | |
| 227 | F | D | 0.0000 | |
| 228 | V | D | 0.0000 | |
| 229 | G | D | -0.3901 | |
| 230 | S | D | -0.9388 | |
| 231 | N | D | -1.3345 | |
| 232 | K | D | -1.9595 | |
| 233 | A | D | -1.1349 | |
| 234 | G | D | 0.0000 | |
| 235 | E | D | -1.8763 | |
| 236 | Y | D | -0.5285 | |
| 237 | I | D | 0.0000 | |
| 238 | F | D | -1.2841 | |
| 239 | E | D | -2.2934 | |
| 240 | R | D | -1.9107 | |
| 241 | G | D | 0.0000 | |
| 242 | S | D | 0.0000 | |
| 243 | R | D | -3.3583 | |
| 244 | H | D | -2.4585 | |
| 245 | G | D | -2.1226 | |
| 246 | K | D | 0.0000 | |
| 247 | R | D | -1.0395 | |
| 248 | V | D | 0.0000 | |
| 249 | Q | D | 0.0000 | |
| 250 | A | D | 0.0000 | |
| 251 | N | D | 0.0000 | |
| 252 | M | D | 0.0000 | |
| 253 | G | D | 0.0000 | |
| 254 | A | D | -0.1060 | |
| 255 | K | D | 0.0000 | |
| 256 | N | D | 0.0000 | |
| 257 | H | D | 0.0000 | |
| 258 | G | D | 0.0000 | |
| 259 | V | D | 0.0000 | |
| 260 | V | D | 0.0000 | |
| 261 | M | D | 0.0000 | |
| 262 | P | D | -1.7102 | |
| 263 | D | D | -1.5396 | |
| 264 | A | D | 0.0000 | |
| 265 | N | D | -0.6589 | |
| 266 | K | D | -1.0928 | |
| 267 | E | D | 0.0001 | |
| 268 | N | D | 0.0000 | |
| 269 | T | D | 0.0000 | |
| 270 | L | D | 0.0000 | |
| 271 | N | D | 0.2208 | |
| 272 | Q | D | 0.0000 | |
| 273 | L | D | 0.0000 | |
| 274 | V | D | 0.0000 | |
| 275 | G | D | -0.2525 | |
| 276 | A | D | 0.0000 | |
| 277 | A | D | 0.0000 | |
| 278 | F | D | 0.0000 | |
| 279 | G | D | -0.4350 | |
| 280 | A | D | 0.0000 | |
| 281 | A | D | 0.0000 | |
| 282 | G | D | 0.0000 | |
| 283 | Q | D | 0.0000 | |
| 284 | R | D | -0.0974 | |
| 285 | C | D | -0.0148 | |
| 286 | M | D | 0.0000 | |
| 287 | A | D | 0.0000 | |
| 288 | L | D | 0.0000 | |
| 289 | S | D | 0.0000 | |
| 290 | T | D | 0.0000 | |
| 291 | A | D | 0.0000 | |
| 292 | V | D | 0.0000 | |
| 293 | L | D | 0.0000 | |
| 294 | V | D | 0.0000 | |
| 295 | G | D | -2.4438 | |
| 296 | E | D | -3.2716 | |
| 297 | A | D | 0.0000 | |
| 298 | K | D | -3.0987 | |
| 299 | K | D | -2.9028 | |
| 300 | W | D | -2.0217 | |
| 301 | L | D | -1.1620 | |
| 302 | P | D | -1.4201 | |
| 303 | E | D | -2.1340 | |
| 304 | L | D | 0.0000 | |
| 305 | V | D | 0.0000 | |
| 306 | E | D | -3.0513 | |
| 307 | H | D | -2.3087 | |
| 308 | A | D | 0.0000 | |
| 309 | K | D | -3.3519 | |
| 310 | N | D | -2.9512 | |
| 311 | L | D | -2.2895 | |
| 312 | R | D | -2.6345 | |
| 313 | V | D | -1.5440 | |
| 314 | N | D | -1.7272 | |
| 315 | A | D | 0.0000 | |
| 316 | G | D | 0.0000 | |
| 317 | D | D | -2.1902 | |
| 318 | Q | D | -1.6524 | |
| 319 | P | D | -1.2338 | |
| 320 | G | D | -1.4563 | |
| 321 | A | D | -1.6880 | |
| 322 | D | D | -1.8545 | |
| 323 | L | D | 0.0000 | |
| 324 | G | D | 0.0000 | |
| 325 | P | D | 0.0000 | |
| 326 | L | D | 0.0000 | |
| 327 | I | D | 0.0000 | |
| 328 | T | D | -1.0042 | |
| 329 | P | D | -1.7364 | |
| 330 | Q | D | -2.2398 | |
| 331 | A | D | -1.7089 | |
| 332 | K | D | -2.0907 | |
| 333 | E | D | -3.1090 | |
| 334 | R | D | -2.4589 | |
| 335 | V | D | 0.0000 | |
| 336 | C | D | -2.0578 | |
| 337 | N | D | -2.3197 | |
| 338 | L | D | -1.5923 | |
| 339 | I | D | 0.0000 | |
| 340 | D | D | -2.0852 | |
| 341 | S | D | -1.7747 | |
| 342 | G | D | 0.0000 | |
| 343 | T | D | -1.7897 | |
| 344 | K | D | -2.6529 | |
| 345 | E | D | -2.5876 | |
| 346 | G | D | -1.7988 | |
| 347 | A | D | 0.0000 | |
| 348 | S | D | -0.2648 | |
| 349 | I | D | 0.3818 | |
| 350 | L | D | 0.9108 | |
| 351 | L | D | -0.2530 | |
| 352 | D | D | -1.0132 | |
| 353 | G | D | 0.0000 | |
| 354 | R | D | -1.6042 | |
| 355 | K | D | -2.1224 | |
| 356 | I | D | -1.4349 | |
| 357 | K | D | -2.8328 | |
| 358 | V | D | 0.0000 | |
| 359 | K | D | -2.5885 | |
| 360 | G | D | -1.9986 | |
| 361 | Y | D | -1.9797 | |
| 362 | E | D | -2.8397 | |
| 363 | N | D | -2.5342 | |
| 364 | G | D | -1.7385 | |
| 365 | N | D | 0.0000 | |
| 366 | F | D | 0.0000 | |
| 367 | V | D | 0.0000 | |
| 368 | G | D | 0.0000 | |
| 369 | P | D | 0.0000 | |
| 370 | T | D | 0.0000 | |
| 371 | I | D | 0.0000 | |
| 372 | I | D | 0.0000 | |
| 373 | S | D | 0.0000 | |
| 374 | N | D | -1.2794 | |
| 375 | V | D | 0.0000 | |
| 376 | K | D | -2.6597 | |
| 377 | P | D | -2.0053 | |
| 378 | N | D | -2.3232 | |
| 379 | M | D | 0.0000 | |
| 380 | T | D | -1.6548 | |
| 381 | C | D | 0.0000 | |
| 382 | Y | D | 0.0000 | |
| 383 | K | D | -2.5587 | |
| 384 | E | D | -1.5356 | |
| 385 | E | D | -0.8280 | |
| 386 | I | D | 0.0000 | |
| 387 | F | D | 0.0943 | |
| 388 | G | D | 0.0000 | |
| 389 | P | D | 0.0000 | |
| 390 | V | D | 0.0000 | |
| 391 | L | D | 0.0000 | |
| 392 | V | D | 0.0000 | |
| 393 | V | D | 0.0000 | |
| 394 | L | D | 0.0000 | |
| 395 | E | D | -2.0950 | |
| 396 | T | D | 0.0000 | |
| 397 | E | D | -2.8628 | |
| 398 | T | D | -1.9786 | |
| 399 | L | D | 0.0000 | |
| 400 | D | D | -2.2724 | |
| 401 | E | D | -2.5201 | |
| 402 | A | D | 0.0000 | |
| 403 | I | D | 0.0000 | |
| 404 | Q | D | -2.2931 | |
| 405 | I | D | -1.5452 | |
| 406 | V | D | 0.0000 | |
| 407 | N | D | -1.8548 | |
| 408 | N | D | -1.9401 | |
| 409 | N | D | 0.0000 | |
| 410 | P | D | -1.0293 | |
| 411 | Y | D | -0.5630 | |
| 412 | G | D | 0.0000 | |
| 413 | N | D | 0.0000 | |
| 414 | G | D | 0.0000 | |
| 415 | T | D | 0.0000 | |
| 416 | A | D | 0.0000 | |
| 417 | I | D | 0.0000 | |
| 418 | F | D | 0.0000 | |
| 419 | T | D | 0.0000 | |
| 420 | T | D | -0.5425 | |
| 421 | N | D | -0.4722 | |
| 422 | G | D | 0.0000 | |
| 423 | A | D | 0.0000 | |
| 424 | T | D | 0.0000 | |
| 425 | A | D | 0.0000 | |
| 426 | R | D | -0.5875 | |
| 427 | K | D | -1.0153 | |
| 428 | Y | D | 0.0000 | |
| 429 | A | D | 0.0000 | |
| 430 | H | D | -0.5998 | |
| 431 | L | D | -0.1981 | |
| 432 | V | D | 0.0000 | |
| 433 | D | D | -1.5440 | |
| 434 | V | D | 0.0000 | |
| 435 | G | D | 0.0000 | |
| 436 | Q | D | 0.0000 | |
| 437 | V | D | 0.0000 | |
| 438 | G | D | 0.0000 | |
| 439 | V | D | 0.0000 | |
| 440 | N | D | -0.1140 | |
| 441 | V | D | 0.0000 | |
| 442 | P | D | 0.0000 | |
| 443 | I | D | 0.5195 | |
| 444 | P | D | 0.0000 | |
| 445 | V | D | 0.6088 | |
| 446 | P | D | 0.0000 | |
| 447 | L | D | 0.0201 | |
| 448 | P | D | 0.0000 | |
| 449 | M | D | 0.0000 | |
| 450 | F | D | 0.0000 | |
| 451 | S | D | 0.0000 | |
| 452 | F | D | 0.0000 | |
| 453 | T | D | 0.0000 | |
| 454 | G | D | -0.2862 | |
| 455 | S | D | -0.6678 | |
| 456 | R | D | -1.0759 | |
| 457 | S | D | -0.6208 | |
| 458 | S | D | 0.0000 | |
| 459 | F | D | 0.0000 | |
| 460 | R | D | -0.8505 | |
| 461 | G | D | -0.5939 | |
| 462 | D | D | -0.6171 | |
| 463 | T | D | 0.0000 | |
| 464 | N | D | 0.0000 | |
| 465 | F | D | 0.0000 | |
| 466 | Y | D | 0.0000 | |
| 467 | G | D | 0.0000 | |
| 468 | K | D | -0.9126 | |
| 469 | Q | D | 0.0000 | |
| 470 | G | D | 0.0000 | |
| 471 | I | D | 0.0000 | |
| 472 | Q | D | -0.4967 | |
| 473 | F | D | 0.0000 | |
| 474 | Y | D | 0.0000 | |
| 475 | T | D | 0.0000 | |
| 476 | Q | D | -0.3933 | |
| 477 | L | D | -0.1651 | |
| 478 | K | D | -0.3821 | |
| 479 | T | D | 0.0000 | |
| 480 | I | D | 0.0000 | |
| 481 | T | D | 0.0000 | |
| 482 | S | D | 0.0000 | |
| 483 | Q | D | 0.0000 | |
| 484 | W | D | -1.1350 | |
| 485 | K | D | -2.0550 | |
| 486 | E | D | -2.7632 | |
| 487 | E | D | -2.5402 | |
| 488 | D | D | -1.3325 | |
| 489 | A | D | -0.9295 | |
| 490 | T | D | -0.2501 | |
| 491 | L | D | 0.6724 | |
| 492 | S | D | 0.0148 | |
| 493 | S | D | -0.1207 | |
| 494 | P | D | 0.0104 | |
| 495 | A | D | 0.6454 | |
| 496 | V | D | 2.3703 | |
| 497 | V | D | 2.6801 | |
| 498 | M | D | 1.5066 | |
| 499 | P | D | 0.6534 | |
| 500 | T | D | 0.5809 | |
| 501 | M | D | 0.7147 |
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 | -0.5187 | 2.8329 | View | CSV | PDB |
| 4.5 | -0.5682 | 2.823 | View | CSV | PDB |
| 5.0 | -0.6286 | 2.81 | View | CSV | PDB |
| 5.5 | -0.6868 | 2.796 | View | CSV | PDB |
| 6.0 | -0.7295 | 2.7833 | View | CSV | PDB |
| 6.5 | -0.7474 | 2.774 | View | CSV | PDB |
| 7.0 | -0.7408 | 2.7689 | View | CSV | PDB |
| 7.5 | -0.7181 | 2.7668 | View | CSV | PDB |
| 8.0 | -0.6871 | 2.7925 | View | CSV | PDB |
| 8.5 | -0.6506 | 2.8614 | View | CSV | PDB |
| 9.0 | -0.6084 | 2.933 | 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