| Chain sequence(s) |
A: ATDGSHFDFVIVGGGTAGNTVAGRLAENPNVTVLIVEAGIGNPEEDIPEITTPSSAMDLRNSKYDWAYKTTMVRRDDYERIEKPNTRGKTLGGSSSLNYFTWVPGHKATFDQQWEEFGGKEWTWDPLVPYLRKSATYHDDPRLYSPELEKIGGGGPIPISHAELIDEMAPFRENLTKAWKSMGQPLIENIYDGEMDGLTHCCDTIYRGQRSGSFLFVKNKPNITIVPEVHSKRLIINEADRTCKGVTVVTAAGNELNFFADREVILSQGVFETPKLLMLSGIGPTRELSRHGINTIVDSRRHVGQNLMDHPGVPFVLRVKDGFGMDDVLLRHGPKRDAVVSAYNKNRSGPVGSGLLELVGFPRIDKYLEKDAEYRKAKAANGGKDPFSPLGQQPHFELDFVCMFGTAFQWHFPTPKTGDHLTVVVDLVRPISDPGEVTLNNSADPFQQPNNINLNFFANDLDIIAMREGIRRFSYDLLFKGEGFKDLVESEYPWEMPLDSDKEMHRRAVLDRCQTAFHPTGTARLLSKNIDQGVVDPKLKVHGIKKLRVADASVIPIIPDCRIQNSVYAVGEKCADMIKAEHKDLY
C: ATDGSHFDFVIVGGGTAGNTVAGRLAENPNVTVLIVEAGIGNPEEDIPEITTPSSAMDLRNSKYDWAYKTTMVRRRDDYERIEKPNTRGKTLGGSSSLNYFTWVPGHKATFDQWEEFGGKEWTWDPLVPYLRKSATYHDDPRLYSPELEKIGGGGPIPISHAELIDEMAPFRENLTKAWKSMGQPLIENIYDGEMDGLTHCCDTIYRGQRSGSFLFVKNKPNITIVPEVHSKRLIINEADRTCKGVTVVTAAGNELNFFADREVILSQGVFETPKLLMLSGIGPTRELSRHGINTIVDSRHVGQNLMDHPGVPFVLRVKDGFGMDDVLLRHGPKRDAVVSAYNKNRSGPVGSGLLELVGFPRIDKKYLEKDAEYRKAKAANGGKDPFSPLGQQPHFELDFVCMFGTAFQWHFPTPKTGDHLTVVVDLVRPISDPGEVTLNSADPFQQPNINLNFFANDLDIIAMREGIRFSYDLLFKGEEGFKDLVESEYPWEMPLDSDKEMHRAVLDRCQTAFHPTGTARLSKNIDQGVVDPKLKVHGIKKLRVADASVIPIIPDCRIQNSVYAVGEKCADMIKAEHKDLY B: ATDGSHFDFVIVGGGTAGNTVAGRLAENPNVTVLIVEAGIGNPEEDIPEITTPSSAMDLRNSKYDWAYKTTMVRRRDDYERIEKPNTRGKTLGGSSSLNYFTWVPGHKATFDQWEEFGGKEWTWDPLVPYLRKSATYHDDPRLYSPELEKIGGGGPIPISHAELIDEMAPFRENLTKAWKSMGQPLIENIYDGEMDGLTHCCDTIYRGQRSGSFLFVKNKPNITIVPEVHSKRLIINEADRTCKGVTVVTAAGNELNFFADREVILSQGVFETPKLLMLSGIGPTRELSRHGINTIVDSRHVGQNLMDHPGVPFVLRVKKDGFGMDDVLLRHGPKRDAVVSAYNKNRSGPVGSGLLELVGFPRIDKYLEKDAEYRKAKAANGGKDPFSPLGQQPHFELDFVCMFGTAFQWHFPTPKTGDHLTVVVDLVRPISDPGEVTLNNSADPFQQPNNINLNFFANDLDIIAMREGIRFSYDLLFKGEGFKDLVESEYPWEMPLDSDKEMHRAVLDRCQTAFHPTGTARLSKNIDQGVVDPKLKVHGIKKLRVADASVIPIIPDCRIQNSVYAVGEKCADMMIKAEHKDLY input PDB |
| Selected Chain(s) | A,C,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:02)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:31:42)
[INFO] Main: Simulation completed successfully. (00:32:11)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 2 | A | A | -0.0175 | |
| 3 | T | A | -0.5710 | |
| 4 | D | A | -1.4114 | |
| 5 | G | A | -0.9985 | |
| 6 | S | A | -0.5780 | |
| 7 | H | A | -0.7933 | |
| 8 | F | A | 0.0000 | |
| 9 | D | A | 0.0000 | |
| 10 | F | A | 0.0000 | |
| 11 | V | A | 0.0000 | |
| 12 | I | A | 0.0000 | |
| 13 | V | A | 0.0000 | |
| 14 | G | A | -0.2252 | |
| 15 | G | A | 0.0000 | |
| 16 | G | A | -0.1823 | |
| 17 | T | A | -0.0948 | |
| 18 | A | A | 0.0000 | |
| 19 | G | A | 0.0000 | |
| 20 | N | A | 0.0000 | |
| 21 | T | A | 0.0000 | |
| 22 | V | A | 0.0000 | |
| 23 | A | A | 0.0000 | |
| 24 | G | A | 0.0000 | |
| 25 | R | A | -0.9593 | |
| 26 | L | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | E | A | -1.9285 | |
| 29 | N | A | -1.3330 | |
| 30 | P | A | -1.4671 | |
| 31 | N | A | -1.9996 | |
| 32 | V | A | 0.0000 | |
| 33 | T | A | 0.0000 | |
| 34 | V | A | 0.0000 | |
| 35 | L | A | 0.0000 | |
| 36 | I | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | E | A | 0.0000 | |
| 39 | A | A | -0.7300 | |
| 40 | G | A | 0.0000 | |
| 41 | I | A | -0.7227 | |
| 42 | G | A | -1.0495 | |
| 43 | N | A | -2.0614 | |
| 44 | P | A | 0.0000 | |
| 45 | E | A | -2.2823 | |
| 46 | D | A | -2.6753 | |
| 47 | I | A | -1.4928 | |
| 48 | P | A | -1.2002 | |
| 49 | E | A | -1.5715 | |
| 50 | I | A | 0.0000 | |
| 51 | T | A | -0.9951 | |
| 52 | T | A | 0.0000 | |
| 53 | P | A | 0.0000 | |
| 54 | S | A | -0.4371 | |
| 55 | S | A | -0.9747 | |
| 56 | A | A | 0.0000 | |
| 57 | M | A | -1.1243 | |
| 58 | D | A | -2.2387 | |
| 59 | L | A | 0.0000 | |
| 60 | R | A | -1.9194 | |
| 61 | N | A | -2.3469 | |
| 62 | S | A | -2.0209 | |
| 63 | K | A | -2.0001 | |
| 64 | Y | A | 0.0000 | |
| 65 | D | A | 0.0000 | |
| 66 | W | A | -0.9898 | |
| 67 | A | A | -1.4495 | |
| 68 | Y | A | 0.0000 | |
| 69 | K | A | -2.0837 | |
| 70 | T | A | 0.0000 | |
| 71 | T | A | -0.8223 | |
| 72 | M | A | 0.0000 | |
| 73 | V | A | 0.0000 | |
| 74 | R | A | -3.2376 | |
| 75 | R | A | -3.3132 | |
| 76 | D | A | -3.4526 | |
| 77 | D | A | -3.4540 | |
| 78 | Y | A | -3.1582 | |
| 79 | E | A | -3.2245 | |
| 80 | R | A | -1.0186 | |
| 81 | I | A | 0.0992 | |
| 82 | E | A | 0.0000 | |
| 83 | K | A | -2.1868 | |
| 84 | P | A | 0.0000 | |
| 85 | N | A | 0.0000 | |
| 86 | T | A | 0.0000 | |
| 87 | R | A | -0.4345 | |
| 88 | G | A | 0.0000 | |
| 89 | K | A | -0.6467 | |
| 90 | T | A | 0.0000 | |
| 91 | L | A | 0.0000 | |
| 92 | G | A | 0.0000 | |
| 93 | G | A | 0.0000 | |
| 94 | S | A | -0.1902 | |
| 95 | S | A | 0.0000 | |
| 96 | S | A | 0.0000 | |
| 97 | L | A | 0.0000 | |
| 98 | N | A | -0.1749 | |
| 99 | Y | A | 0.0633 | |
| 100 | F | A | 0.0000 | |
| 101 | T | A | 0.0000 | |
| 102 | W | A | 0.0000 | |
| 103 | V | A | 0.0000 | |
| 104 | P | A | 0.0000 | |
| 105 | G | A | 0.0000 | |
| 106 | H | A | 0.0000 | |
| 107 | K | A | -2.1680 | |
| 108 | A | A | -0.9671 | |
| 109 | T | A | 0.0000 | |
| 110 | F | A | 0.0000 | |
| 111 | D | A | -2.2747 | |
| 112 | Q | A | -2.0508 | |
| 113 | W | A | 0.0000 | |
| 114 | E | A | -3.4598 | |
| 115 | E | A | -3.1893 | |
| 116 | F | A | 0.0000 | |
| 117 | G | A | 0.0000 | |
| 118 | G | A | -2.5856 | |
| 119 | K | A | -3.0681 | |
| 120 | E | A | -2.0283 | |
| 121 | W | A | 0.0000 | |
| 122 | T | A | 0.0000 | |
| 123 | W | A | 0.0000 | |
| 124 | D | A | -2.4287 | |
| 125 | P | A | -1.3594 | |
| 126 | L | A | 0.0000 | |
| 127 | V | A | -0.8832 | |
| 128 | P | A | -0.7707 | |
| 129 | Y | A | -0.5116 | |
| 130 | L | A | 0.0000 | |
| 131 | R | A | -0.9555 | |
| 132 | K | A | -1.1246 | |
| 133 | S | A | 0.0000 | |
| 134 | A | A | 0.0000 | |
| 135 | T | A | -1.0071 | |
| 136 | Y | A | 0.0000 | |
| 137 | H | A | -1.4340 | |
| 138 | D | A | -1.5619 | |
| 139 | D | A | -1.7433 | |
| 140 | P | A | -1.2217 | |
| 141 | R | A | -1.6124 | |
| 142 | L | A | 0.4094 | |
| 143 | Y | A | -0.5813 | |
| 144 | S | A | -1.2283 | |
| 145 | P | A | -1.9586 | |
| 146 | E | A | -2.8567 | |
| 147 | L | A | 0.0000 | |
| 148 | E | A | -3.1344 | |
| 149 | K | A | -2.6016 | |
| 150 | I | A | 0.0000 | |
| 151 | G | A | -1.5989 | |
| 152 | G | A | -1.6011 | |
| 153 | G | A | -1.0779 | |
| 154 | G | A | 0.0000 | |
| 155 | P | A | -0.2679 | |
| 156 | I | A | 0.0000 | |
| 157 | P | A | -0.3953 | |
| 158 | I | A | 0.0000 | |
| 159 | S | A | 0.0000 | |
| 160 | H | A | 0.0000 | |
| 161 | A | A | -0.4059 | |
| 162 | E | A | -1.5247 | |
| 163 | L | A | -0.7596 | |
| 164 | I | A | 0.0000 | |
| 165 | D | A | -2.3802 | |
| 166 | E | A | -1.9010 | |
| 167 | M | A | 0.0000 | |
| 168 | A | A | -1.3541 | |
| 169 | P | A | -1.2925 | |
| 170 | F | A | 0.0000 | |
| 171 | R | A | 0.0000 | |
| 172 | E | A | -2.3854 | |
| 173 | N | A | -2.5294 | |
| 174 | L | A | 0.0000 | |
| 175 | T | A | -2.0589 | |
| 176 | K | A | -3.2360 | |
| 177 | A | A | 0.0000 | |
| 178 | W | A | 0.0000 | |
| 179 | K | A | -2.5324 | |
| 180 | S | A | -2.2855 | |
| 181 | M | A | -1.4821 | |
| 182 | G | A | -1.0336 | |
| 183 | Q | A | -1.0440 | |
| 184 | P | A | -0.5053 | |
| 185 | L | A | 0.1559 | |
| 186 | I | A | -0.2828 | |
| 187 | E | A | -0.7018 | |
| 188 | N | A | -1.6836 | |
| 189 | I | A | 0.0000 | |
| 190 | Y | A | 0.0000 | |
| 191 | D | A | -2.2480 | |
| 192 | G | A | 0.0000 | |
| 193 | E | A | -2.8705 | |
| 194 | M | A | 0.0000 | |
| 195 | D | A | -1.8527 | |
| 196 | G | A | 0.0000 | |
| 197 | L | A | 0.0000 | |
| 198 | T | A | 0.0000 | |
| 199 | H | A | -0.1967 | |
| 200 | C | A | 0.0000 | |
| 201 | C | A | 0.0000 | |
| 202 | D | A | 0.0000 | |
| 203 | T | A | 0.0000 | |
| 204 | I | A | 0.0000 | |
| 205 | Y | A | -1.2105 | |
| 206 | R | A | -2.6316 | |
| 207 | G | A | 0.0000 | |
| 208 | Q | A | -1.3014 | |
| 209 | R | A | 0.0000 | |
| 210 | S | A | 0.0000 | |
| 211 | G | A | 0.0000 | |
| 212 | S | A | 0.0000 | |
| 213 | F | A | 0.0000 | |
| 214 | L | A | -0.1495 | |
| 215 | F | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | K | A | -1.5544 | |
| 218 | N | A | -1.9393 | |
| 219 | K | A | -1.8245 | |
| 220 | P | A | -1.1238 | |
| 221 | N | A | -1.1616 | |
| 222 | I | A | 0.0000 | |
| 223 | T | A | 0.0702 | |
| 224 | I | A | 0.3111 | |
| 225 | V | A | 0.0698 | |
| 226 | P | A | -0.7910 | |
| 227 | E | A | -1.6670 | |
| 228 | V | A | 0.0000 | |
| 229 | H | A | -0.6977 | |
| 230 | S | A | -0.6373 | |
| 231 | K | A | -0.7615 | |
| 232 | R | A | -0.6567 | |
| 233 | L | A | 0.0000 | |
| 234 | I | A | -0.0549 | |
| 235 | I | A | -0.8412 | |
| 236 | N | A | -1.5536 | |
| 237 | E | A | -1.5155 | |
| 238 | A | A | 0.0000 | |
| 239 | D | A | -2.8025 | |
| 240 | R | A | -2.5810 | |
| 241 | T | A | -2.1217 | |
| 242 | C | A | 0.0000 | |
| 243 | K | A | -1.1879 | |
| 244 | G | A | 0.0000 | |
| 245 | V | A | 0.0000 | |
| 246 | T | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | V | A | 0.0000 | |
| 249 | T | A | -0.7890 | |
| 250 | A | A | -0.9288 | |
| 251 | A | A | -0.8449 | |
| 252 | G | A | -0.8488 | |
| 253 | N | A | -1.1653 | |
| 254 | E | A | -1.1177 | |
| 255 | L | A | -0.7875 | |
| 256 | N | A | -0.6350 | |
| 257 | F | A | 0.0000 | |
| 258 | F | A | -0.3163 | |
| 259 | A | A | 0.0000 | |
| 260 | D | A | -1.6207 | |
| 261 | R | A | -1.3175 | |
| 262 | E | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | I | A | 0.0000 | |
| 265 | L | A | 0.0000 | |
| 266 | S | A | 0.0000 | |
| 267 | Q | A | -0.3168 | |
| 268 | G | A | -0.2925 | |
| 269 | V | A | 0.0000 | |
| 270 | F | A | 0.0000 | |
| 271 | E | A | 0.0000 | |
| 272 | T | A | 0.0000 | |
| 273 | P | A | 0.0000 | |
| 274 | K | A | 0.0000 | |
| 275 | L | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | M | A | 0.0000 | |
| 278 | L | A | 0.0000 | |
| 279 | S | A | 0.0000 | |
| 280 | G | A | 0.0000 | |
| 281 | I | A | 0.0000 | |
| 282 | G | A | 0.0000 | |
| 283 | P | A | 0.0000 | |
| 284 | T | A | -2.3118 | |
| 285 | R | A | -2.8901 | |
| 286 | E | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | S | A | -2.2248 | |
| 289 | R | A | -2.9033 | |
| 290 | H | A | -2.0827 | |
| 291 | G | A | -1.5307 | |
| 292 | I | A | -1.3200 | |
| 293 | N | A | -1.6952 | |
| 294 | T | A | -1.1766 | |
| 295 | I | A | -0.5997 | |
| 296 | V | A | -1.1012 | |
| 297 | D | A | -2.6675 | |
| 298 | S | A | 0.0000 | |
| 299 | R | A | -2.9402 | |
| 300 | H | A | -1.8001 | |
| 301 | V | A | 0.0000 | |
| 302 | G | A | 0.0000 | |
| 303 | Q | A | -1.1115 | |
| 304 | N | A | -0.8673 | |
| 305 | L | A | 0.0000 | |
| 306 | M | A | -0.3144 | |
| 307 | D | A | 0.0000 | |
| 308 | H | A | 0.0000 | |
| 309 | P | A | 0.0000 | |
| 310 | G | A | 0.0000 | |
| 311 | V | A | 0.0000 | |
| 312 | P | A | 0.0000 | |
| 313 | F | A | 0.0000 | |
| 314 | V | A | 0.0000 | |
| 315 | L | A | 0.0000 | |
| 316 | R | A | -1.6353 | |
| 317 | V | A | 0.0000 | |
| 318 | K | A | -2.7444 | |
| 319 | D | A | -2.8726 | |
| 320 | G | A | -1.7223 | |
| 321 | F | A | -1.1202 | |
| 322 | G | A | 0.0000 | |
| 323 | M | A | 0.0000 | |
| 324 | D | A | 0.0000 | |
| 325 | D | A | -2.6687 | |
| 326 | V | A | 0.0000 | |
| 327 | L | A | 0.0000 | |
| 328 | L | A | -0.5794 | |
| 329 | R | A | -1.8762 | |
| 330 | H | A | -2.1260 | |
| 331 | G | A | -2.0674 | |
| 332 | P | A | -2.0836 | |
| 333 | K | A | -2.6055 | |
| 334 | R | A | -2.6396 | |
| 335 | D | A | -2.6604 | |
| 336 | A | A | -1.3875 | |
| 337 | V | A | -1.1071 | |
| 338 | V | A | -1.3353 | |
| 339 | S | A | -1.7046 | |
| 340 | A | A | -1.7797 | |
| 341 | Y | A | 0.0000 | |
| 342 | N | A | -2.7495 | |
| 343 | K | A | -3.2191 | |
| 344 | N | A | -3.3018 | |
| 345 | R | A | -3.0296 | |
| 346 | S | A | -2.2100 | |
| 347 | G | A | -1.3968 | |
| 348 | P | A | -0.8280 | |
| 349 | V | A | 0.0000 | |
| 350 | G | A | 0.0000 | |
| 351 | S | A | 0.0000 | |
| 352 | G | A | -0.2158 | |
| 353 | L | A | 0.0000 | |
| 354 | L | A | 0.0000 | |
| 355 | E | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | V | A | 0.0000 | |
| 358 | G | A | 0.0000 | |
| 359 | F | A | 0.0000 | |
| 360 | P | A | 0.0000 | |
| 361 | R | A | -1.0811 | |
| 362 | I | A | 0.0000 | |
| 363 | D | A | -1.8716 | |
| 364 | K | A | -2.6680 | |
| 365 | Y | A | -1.8353 | |
| 366 | L | A | 0.0000 | |
| 367 | E | A | -3.4552 | |
| 368 | K | A | -3.1935 | |
| 369 | D | A | -2.8921 | |
| 370 | A | A | -2.5118 | |
| 371 | E | A | -3.5219 | |
| 372 | Y | A | 0.0000 | |
| 373 | R | A | -3.8154 | |
| 374 | K | A | -3.5126 | |
| 375 | A | A | -2.5112 | |
| 376 | K | A | -2.8783 | |
| 377 | A | A | -2.3025 | |
| 378 | A | A | -1.7461 | |
| 379 | N | A | -2.4654 | |
| 380 | G | A | -1.9416 | |
| 381 | G | A | -2.3210 | |
| 382 | K | A | -2.3126 | |
| 383 | D | A | 0.0000 | |
| 384 | P | A | -0.7451 | |
| 385 | F | A | 0.0000 | |
| 386 | S | A | 0.0000 | |
| 387 | P | A | -0.6001 | |
| 388 | L | A | 0.1139 | |
| 389 | G | A | -0.7086 | |
| 390 | Q | A | 0.0000 | |
| 391 | P | A | 0.0000 | |
| 392 | H | A | 0.0000 | |
| 393 | F | A | 0.0000 | |
| 394 | E | A | 0.0000 | |
| 395 | L | A | 0.0000 | |
| 396 | D | A | 0.0000 | |
| 397 | F | A | 0.0000 | |
| 398 | V | A | 0.0000 | |
| 399 | C | A | 0.0000 | |
| 400 | M | A | 0.0000 | |
| 401 | F | A | 0.0000 | |
| 402 | G | A | 0.0000 | |
| 403 | T | A | -0.3915 | |
| 404 | A | A | 0.0000 | |
| 405 | F | A | 0.0000 | |
| 406 | Q | A | 0.0000 | |
| 407 | W | A | -0.4803 | |
| 408 | H | A | -0.9637 | |
| 409 | F | A | -0.0997 | |
| 410 | P | A | -0.5002 | |
| 411 | T | A | -0.5091 | |
| 412 | P | A | -0.9525 | |
| 413 | K | A | -1.9666 | |
| 414 | T | A | -1.5184 | |
| 415 | G | A | -1.7580 | |
| 416 | D | A | 0.0000 | |
| 417 | H | A | 0.0000 | |
| 418 | L | A | 0.0000 | |
| 419 | T | A | 0.0000 | |
| 420 | V | A | 0.0000 | |
| 421 | V | A | 0.0000 | |
| 422 | V | A | 0.0000 | |
| 423 | D | A | 0.0000 | |
| 424 | L | A | 0.0000 | |
| 425 | V | A | 0.0000 | |
| 426 | R | A | 0.0000 | |
| 427 | P | A | -0.0526 | |
| 428 | I | A | -0.1805 | |
| 429 | S | A | 0.0000 | |
| 430 | D | A | -1.9180 | |
| 431 | P | A | -1.1879 | |
| 432 | G | A | 0.0000 | |
| 433 | E | A | -1.2938 | |
| 434 | V | A | 0.0000 | |
| 435 | T | A | -0.8124 | |
| 436 | L | A | 0.0000 | |
| 437 | N | A | -1.7866 | |
| 438 | S | A | -1.2944 | |
| 439 | A | A | -0.8974 | |
| 440 | D | A | -0.9545 | |
| 441 | P | A | -0.7316 | |
| 442 | F | A | -0.6471 | |
| 445 | Q | A | -1.1627 | |
| 446 | Q | A | -1.2797 | |
| 447 | P | A | 0.0000 | |
| 448 | N | A | -1.5150 | |
| 449 | I | A | 0.0000 | |
| 450 | N | A | -0.9045 | |
| 451 | L | A | 0.0000 | |
| 452 | N | A | -1.6314 | |
| 453 | F | A | 0.0000 | |
| 454 | F | A | 0.0000 | |
| 455 | A | A | -1.7321 | |
| 456 | N | A | -1.6436 | |
| 457 | D | A | -2.0774 | |
| 458 | L | A | 0.0000 | |
| 459 | D | A | 0.0000 | |
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| 468 | R | A | -0.6026 | |
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| 471 | Y | A | -0.4357 | |
| 472 | D | A | -0.8641 | |
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| 475 | F | A | -1.7422 | |
| 476 | K | A | -2.7705 | |
| 477 | G | A | 0.0000 | |
| 478 | E | A | -3.7585 | |
| 479 | G | A | -3.0330 | |
| 480 | F | A | 0.0000 | |
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| 482 | D | A | -3.4856 | |
| 483 | L | A | 0.0000 | |
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| 485 | E | A | -2.9058 | |
| 486 | S | A | -1.5787 | |
| 487 | E | A | -1.1347 | |
| 488 | Y | A | -0.4207 | |
| 489 | P | A | -0.0904 | |
| 490 | W | A | -0.1933 | |
| 491 | E | A | -1.5113 | |
| 492 | M | A | 0.0000 | |
| 493 | P | A | -2.0641 | |
| 494 | L | A | -1.9153 | |
| 495 | D | A | -2.6185 | |
| 496 | S | A | -2.8284 | |
| 497 | D | A | -3.7659 | |
| 498 | K | A | -3.9404 | |
| 499 | E | A | -3.6882 | |
| 500 | M | A | 0.0000 | |
| 501 | H | A | -3.0914 | |
| 502 | R | A | -3.7064 | |
| 503 | A | A | -2.4251 | |
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| 505 | L | A | 0.0000 | |
| 506 | D | A | -2.7992 | |
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| 509 | Q | A | 0.0000 | |
| 510 | T | A | 0.0000 | |
| 511 | A | A | 0.0000 | |
| 512 | F | A | 0.1762 | |
| 513 | H | A | 0.0000 | |
| 514 | P | A | 0.0000 | |
| 515 | T | A | 0.0000 | |
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| 518 | A | A | 0.0000 | |
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| 520 | L | A | 0.0000 | |
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| 522 | K | A | -2.7299 | |
| 523 | N | A | -2.1670 | |
| 524 | I | A | -1.8927 | |
| 525 | D | A | -2.7471 | |
| 526 | Q | A | -2.0634 | |
| 527 | G | A | 0.0000 | |
| 528 | V | A | 0.0000 | |
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| 530 | D | A | -1.3792 | |
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| 538 | I | A | 0.0000 | |
| 539 | K | A | -2.7533 | |
| 540 | K | A | -2.0504 | |
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| 549 | I | A | 0.0000 | |
| 550 | P | A | -0.3754 | |
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| 555 | C | A | 0.0000 | |
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| 571 | M | A | 0.0000 | |
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| 576 | H | A | -2.1880 | |
| 577 | K | A | -2.9082 | |
| 578 | D | A | -3.1061 | |
| 579 | L | A | 0.0000 | |
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| 2 | A | B | -0.4009 | |
| 3 | T | B | -1.1359 | |
| 4 | D | B | -2.2601 | |
| 5 | G | B | -1.3836 | |
| 6 | S | B | -1.1411 | |
| 7 | H | B | -1.7704 | |
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| 9 | D | B | -1.3179 | |
| 10 | F | B | 0.0000 | |
| 11 | V | B | 0.0000 | |
| 12 | I | B | 0.0000 | |
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| 14 | G | B | -0.1848 | |
| 15 | G | B | 0.0000 | |
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| 25 | R | B | -1.0256 | |
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| 27 | A | B | 0.0000 | |
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| 30 | P | B | -1.6824 | |
| 31 | N | B | -1.7802 | |
| 32 | V | B | 0.0000 | |
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| 34 | V | B | 0.0000 | |
| 35 | L | B | 0.0000 | |
| 36 | I | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
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| 40 | G | B | 0.0000 | |
| 41 | I | B | -0.8064 | |
| 42 | G | B | -1.0989 | |
| 43 | N | B | -1.8325 | |
| 44 | P | B | 0.0000 | |
| 45 | E | B | -2.7273 | |
| 46 | D | B | -2.8487 | |
| 47 | I | B | -1.6508 | |
| 48 | P | B | -1.3998 | |
| 49 | E | B | -1.8172 | |
| 50 | I | B | 0.0000 | |
| 51 | T | B | -1.1925 | |
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| 53 | P | B | 0.0000 | |
| 54 | S | B | -0.4386 | |
| 55 | S | B | -0.9863 | |
| 56 | A | B | 0.0000 | |
| 57 | M | B | -1.1741 | |
| 58 | D | B | -2.2903 | |
| 59 | L | B | 0.0000 | |
| 60 | R | B | -1.8022 | |
| 61 | N | B | -2.2760 | |
| 62 | S | B | -2.0276 | |
| 63 | K | B | -1.9821 | |
| 64 | Y | B | 0.0000 | |
| 65 | D | B | 0.0000 | |
| 66 | W | B | -0.5850 | |
| 67 | A | B | -0.8787 | |
| 68 | Y | B | 0.0000 | |
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| 70 | T | B | 0.0000 | |
| 71 | T | B | 0.0000 | |
| 72 | M | B | 0.0000 | |
| 73 | V | B | 0.0000 | |
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| 76 | D | B | -2.7518 | |
| 77 | D | B | -2.5921 | |
| 78 | Y | B | -1.7832 | |
| 79 | E | B | -1.1737 | |
| 80 | R | B | 0.0000 | |
| 81 | I | B | 0.0902 | |
| 82 | E | B | 0.0000 | |
| 83 | K | B | -0.8758 | |
| 84 | P | B | 0.0000 | |
| 85 | N | B | 0.0000 | |
| 86 | T | B | 0.0000 | |
| 87 | R | B | -0.3564 | |
| 88 | G | B | 0.0000 | |
| 89 | K | B | 0.0000 | |
| 90 | T | B | 0.0000 | |
| 91 | L | B | 0.0000 | |
| 92 | G | B | 0.0000 | |
| 93 | G | B | 0.0000 | |
| 94 | S | B | -0.1617 | |
| 95 | S | B | 0.0000 | |
| 96 | S | B | 0.0000 | |
| 97 | L | B | 0.0000 | |
| 98 | N | B | -0.2046 | |
| 99 | Y | B | 0.0396 | |
| 100 | F | B | 0.0000 | |
| 101 | T | B | 0.0000 | |
| 102 | W | B | 0.0000 | |
| 103 | V | B | 0.0000 | |
| 104 | P | B | 0.0000 | |
| 105 | G | B | 0.0000 | |
| 106 | H | B | -1.4079 | |
| 107 | K | B | -1.9255 | |
| 108 | A | B | -0.7897 | |
| 109 | T | B | 0.0000 | |
| 110 | F | B | 0.0000 | |
| 111 | D | B | -2.2093 | |
| 112 | Q | B | -1.8956 | |
| 113 | W | B | 0.0000 | |
| 114 | E | B | -3.7382 | |
| 115 | E | B | -3.3196 | |
| 116 | F | B | 0.0000 | |
| 117 | G | B | 0.0000 | |
| 118 | G | B | -2.7999 | |
| 119 | K | B | -3.3194 | |
| 120 | E | B | -2.4646 | |
| 121 | W | B | 0.0000 | |
| 122 | T | B | 0.0000 | |
| 123 | W | B | 0.0000 | |
| 124 | D | B | -2.4050 | |
| 125 | P | B | -1.4576 | |
| 126 | L | B | 0.0000 | |
| 127 | V | B | -0.8313 | |
| 128 | P | B | -0.8560 | |
| 129 | Y | B | -0.5425 | |
| 130 | L | B | 0.0000 | |
| 131 | R | B | -1.0732 | |
| 132 | K | B | -1.3680 | |
| 133 | S | B | 0.0000 | |
| 134 | A | B | 0.0000 | |
| 135 | T | B | -1.0979 | |
| 136 | Y | B | 0.0000 | |
| 137 | H | B | -1.6942 | |
| 138 | D | B | -2.0178 | |
| 139 | D | B | -2.7358 | |
| 140 | P | B | -1.7434 | |
| 141 | R | B | -1.9507 | |
| 142 | L | B | 0.2218 | |
| 143 | Y | B | -0.7638 | |
| 144 | S | B | -1.2977 | |
| 145 | P | B | -2.0735 | |
| 146 | E | B | -3.0411 | |
| 147 | L | B | 0.0000 | |
| 148 | E | B | -3.4474 | |
| 149 | K | B | -3.2384 | |
| 150 | I | B | 0.0000 | |
| 151 | G | B | -1.8086 | |
| 152 | G | B | -1.8060 | |
| 153 | G | B | -1.4112 | |
| 154 | G | B | -0.7252 | |
| 155 | P | B | -0.3030 | |
| 156 | I | B | 0.0000 | |
| 157 | P | B | -0.3975 | |
| 158 | I | B | 0.0000 | |
| 159 | S | B | 0.0000 | |
| 160 | H | B | 0.0000 | |
| 161 | A | B | -0.3957 | |
| 162 | E | B | -1.6173 | |
| 163 | L | B | -0.8634 | |
| 164 | I | B | 0.0000 | |
| 165 | D | B | -2.7268 | |
| 166 | E | B | -2.5719 | |
| 167 | M | B | 0.0000 | |
| 168 | A | B | -1.5798 | |
| 169 | P | B | -1.4149 | |
| 170 | F | B | 0.0000 | |
| 171 | R | B | -1.7150 | |
| 172 | E | B | -2.5124 | |
| 173 | N | B | -2.6229 | |
| 174 | L | B | 0.0000 | |
| 175 | T | B | -2.0459 | |
| 176 | K | B | -3.1307 | |
| 177 | A | B | 0.0000 | |
| 178 | W | B | 0.0000 | |
| 179 | K | B | -2.3336 | |
| 180 | S | B | -2.0929 | |
| 181 | M | B | -1.3886 | |
| 182 | G | B | -0.9383 | |
| 183 | Q | B | -0.9834 | |
| 184 | P | B | -0.4388 | |
| 185 | L | B | 0.2913 | |
| 186 | I | B | -0.3778 | |
| 187 | E | B | -0.8988 | |
| 188 | N | B | -1.8825 | |
| 189 | I | B | 0.0000 | |
| 190 | Y | B | 0.0000 | |
| 191 | D | B | -1.9419 | |
| 192 | G | B | 0.0000 | |
| 193 | E | B | -2.9171 | |
| 194 | M | B | 0.0000 | |
| 195 | D | B | -2.2296 | |
| 196 | G | B | 0.0000 | |
| 197 | L | B | 0.0000 | |
| 198 | T | B | 0.0000 | |
| 199 | H | B | -0.2203 | |
| 200 | C | B | 0.0000 | |
| 201 | C | B | 0.0000 | |
| 202 | D | B | 0.0000 | |
| 203 | T | B | 0.0000 | |
| 204 | I | B | 0.0000 | |
| 205 | Y | B | -1.1407 | |
| 206 | R | B | -2.6899 | |
| 207 | G | B | 0.0000 | |
| 208 | Q | B | -1.3116 | |
| 209 | R | B | 0.0000 | |
| 210 | S | B | 0.0000 | |
| 211 | G | B | 0.0000 | |
| 212 | S | B | 0.0000 | |
| 213 | F | B | 0.0000 | |
| 214 | L | B | -0.2892 | |
| 215 | F | B | 0.0000 | |
| 216 | V | B | 0.0000 | |
| 217 | K | B | -1.4662 | |
| 218 | N | B | -1.9368 | |
| 219 | K | B | -1.8265 | |
| 220 | P | B | -1.1247 | |
| 221 | N | B | -1.1372 | |
| 222 | I | B | 0.0000 | |
| 223 | T | B | 0.1564 | |
| 224 | I | B | 0.3031 | |
| 225 | V | B | 0.0379 | |
| 226 | P | B | -0.8350 | |
| 227 | E | B | -1.7244 | |
| 228 | V | B | 0.0000 | |
| 229 | H | B | -0.7447 | |
| 230 | S | B | -0.7442 | |
| 231 | K | B | -0.8571 | |
| 232 | R | B | -1.0340 | |
| 233 | L | B | 0.0000 | |
| 234 | I | B | -0.4183 | |
| 235 | I | B | -1.4236 | |
| 236 | N | B | -2.4021 | |
| 237 | E | B | -2.8574 | |
| 238 | A | B | -2.1198 | |
| 239 | D | B | -3.3935 | |
| 240 | R | B | -3.4378 | |
| 241 | T | B | -2.7696 | |
| 242 | C | B | 0.0000 | |
| 243 | K | B | -1.8575 | |
| 244 | G | B | 0.0000 | |
| 245 | V | B | 0.0000 | |
| 246 | T | B | -0.7107 | |
| 247 | V | B | 0.0000 | |
| 248 | V | B | 0.0000 | |
| 249 | T | B | -0.8741 | |
| 250 | A | B | -0.9891 | |
| 251 | A | B | -0.9036 | |
| 252 | G | B | -0.9610 | |
| 253 | N | B | -1.5692 | |
| 254 | E | B | -1.2544 | |
| 255 | L | B | -1.2327 | |
| 256 | N | B | -1.3154 | |
| 257 | F | B | 0.0000 | |
| 258 | F | B | -1.0799 | |
| 259 | A | B | 0.0000 | |
| 260 | D | B | -2.2979 | |
| 261 | R | B | -1.7592 | |
| 262 | E | B | 0.0000 | |
| 263 | V | B | 0.0000 | |
| 264 | I | B | 0.0000 | |
| 265 | L | B | 0.0000 | |
| 266 | S | B | 0.0000 | |
| 267 | Q | B | -0.3289 | |
| 268 | G | B | -0.2822 | |
| 269 | V | B | 0.0000 | |
| 270 | F | B | 0.0000 | |
| 271 | E | B | 0.0000 | |
| 272 | T | B | 0.0000 | |
| 273 | P | B | 0.0000 | |
| 274 | K | B | 0.0000 | |
| 275 | L | B | 0.0000 | |
| 276 | L | B | 0.0000 | |
| 277 | M | B | 0.0000 | |
| 278 | L | B | 0.0000 | |
| 279 | S | B | 0.0000 | |
| 280 | G | B | 0.0000 | |
| 281 | I | B | 0.0000 | |
| 282 | G | B | 0.0000 | |
| 283 | P | B | -2.2744 | |
| 284 | T | B | -2.5459 | |
| 285 | R | B | -3.3478 | |
| 286 | E | B | -2.6248 | |
| 287 | L | B | 0.0000 | |
| 288 | S | B | -2.4725 | |
| 289 | R | B | -3.0750 | |
| 290 | H | B | -2.1496 | |
| 291 | G | B | -1.8509 | |
| 292 | I | B | 0.0000 | |
| 293 | N | B | -1.9327 | |
| 294 | T | B | -1.3368 | |
| 295 | I | B | -1.0142 | |
| 296 | V | B | 0.0000 | |
| 297 | D | B | -2.8406 | |
| 298 | S | B | 0.0000 | |
| 299 | R | B | -3.1424 | |
| 300 | H | B | -2.0060 | |
| 301 | V | B | 0.0000 | |
| 302 | G | B | 0.0000 | |
| 303 | Q | B | -1.6227 | |
| 304 | N | B | -1.1637 | |
| 305 | L | B | 0.0000 | |
| 306 | M | B | -0.3749 | |
| 307 | D | B | 0.0000 | |
| 308 | H | B | 0.0000 | |
| 309 | P | B | 0.0000 | |
| 310 | G | B | 0.0000 | |
| 311 | V | B | 0.0000 | |
| 312 | P | B | 0.0000 | |
| 313 | F | B | 0.0000 | |
| 314 | V | B | 0.0000 | |
| 315 | L | B | 0.0000 | |
| 316 | R | B | -1.5733 | |
| 317 | V | B | 0.0000 | |
| 318 | K | B | -2.5435 | |
| 319 | D | B | -2.5861 | |
| 320 | G | B | -1.6038 | |
| 321 | F | B | -1.0829 | |
| 322 | G | B | 0.0000 | |
| 323 | M | B | 0.0000 | |
| 324 | D | B | 0.0000 | |
| 325 | D | B | -1.5227 | |
| 326 | V | B | 0.0000 | |
| 327 | L | B | -0.6380 | |
| 328 | L | B | -0.4294 | |
| 329 | R | B | -1.6121 | |
| 330 | H | B | -2.0469 | |
| 331 | G | B | -1.9963 | |
| 332 | P | B | -2.1552 | |
| 333 | K | B | -2.7263 | |
| 334 | R | B | -2.5704 | |
| 335 | D | B | -2.7345 | |
| 336 | A | B | -1.4541 | |
| 337 | V | B | -1.2591 | |
| 338 | V | B | -1.2286 | |
| 339 | S | B | -1.5676 | |
| 340 | A | B | -1.7722 | |
| 341 | Y | B | 0.0000 | |
| 342 | N | B | -2.5853 | |
| 343 | K | B | -3.1200 | |
| 344 | N | B | -3.2220 | |
| 345 | R | B | -2.8216 | |
| 346 | S | B | -2.0623 | |
| 347 | G | B | -1.1903 | |
| 348 | P | B | -0.8112 | |
| 349 | V | B | -0.2773 | |
| 350 | G | B | 0.0000 | |
| 351 | S | B | 0.0000 | |
| 352 | G | B | -0.1759 | |
| 353 | L | B | 0.0000 | |
| 354 | L | B | 0.0000 | |
| 355 | E | B | 0.0000 | |
| 356 | L | B | 0.0000 | |
| 357 | V | B | 0.0000 | |
| 358 | G | B | 0.0000 | |
| 359 | F | B | 0.0000 | |
| 360 | P | B | 0.0000 | |
| 361 | R | B | -1.2310 | |
| 362 | I | B | 0.0000 | |
| 363 | D | B | -2.4651 | |
| 364 | K | B | -3.1002 | |
| 365 | Y | B | -2.1706 | |
| 366 | L | B | 0.0000 | |
| 367 | E | B | -4.2891 | |
| 368 | K | B | -3.5329 | |
| 369 | D | B | -2.7512 | |
| 370 | A | B | -2.4566 | |
| 371 | E | B | -3.0535 | |
| 372 | Y | B | 0.0000 | |
| 373 | R | B | -4.0820 | |
| 374 | K | B | -3.4040 | |
| 375 | A | B | -2.4689 | |
| 376 | K | B | -3.1487 | |
| 377 | A | B | -2.3099 | |
| 378 | A | B | -1.6786 | |
| 379 | N | B | -2.3381 | |
| 380 | G | B | -1.7030 | |
| 381 | G | B | -2.3243 | |
| 382 | K | B | -2.5257 | |
| 383 | D | B | 0.0000 | |
| 384 | P | B | -0.8747 | |
| 385 | F | B | 0.0000 | |
| 386 | S | B | 0.0000 | |
| 387 | P | B | -0.4582 | |
| 388 | L | B | 0.3909 | |
| 389 | G | B | -0.6075 | |
| 390 | Q | B | 0.0000 | |
| 391 | P | B | 0.0000 | |
| 392 | H | B | 0.0000 | |
| 393 | F | B | 0.0000 | |
| 394 | E | B | 0.0000 | |
| 395 | L | B | 0.0000 | |
| 396 | D | B | 0.0000 | |
| 397 | F | B | 0.0000 | |
| 398 | V | B | 0.0000 | |
| 399 | C | B | 0.0000 | |
| 400 | M | B | 0.0000 | |
| 401 | F | B | 0.0000 | |
| 402 | G | B | 0.0000 | |
| 403 | T | B | -0.3203 | |
| 404 | A | B | 0.0000 | |
| 405 | F | B | 0.0000 | |
| 406 | Q | B | 0.0000 | |
| 407 | W | B | -0.0645 | |
| 408 | H | B | -0.6015 | |
| 409 | F | B | 0.0627 | |
| 410 | P | B | -0.6462 | |
| 411 | T | B | -0.4614 | |
| 412 | P | B | -0.8671 | |
| 413 | K | B | -1.9587 | |
| 414 | T | B | -1.2906 | |
| 415 | G | B | -1.5351 | |
| 416 | D | B | 0.0000 | |
| 417 | H | B | 0.0000 | |
| 418 | L | B | 0.0000 | |
| 419 | T | B | 0.0000 | |
| 420 | V | B | 0.0000 | |
| 421 | V | B | 0.0000 | |
| 422 | V | B | 0.0000 | |
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| 426 | R | B | 0.0000 | |
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| 428 | I | B | -0.0535 | |
| 429 | S | B | 0.0000 | |
| 430 | D | B | -1.8991 | |
| 431 | P | B | -1.2929 | |
| 432 | G | B | 0.0000 | |
| 433 | E | B | -1.5058 | |
| 434 | V | B | 0.0000 | |
| 435 | T | B | -0.9076 | |
| 436 | L | B | 0.0000 | |
| 437 | N | B | -1.6163 | |
| 438 | S | B | -1.2574 | |
| 439 | A | B | -0.8366 | |
| 440 | D | B | -0.7876 | |
| 441 | P | B | -0.7498 | |
| 442 | F | B | 0.0000 | |
| 445 | Q | B | -1.0637 | |
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| 447 | P | B | 0.0000 | |
| 448 | N | B | -1.1406 | |
| 449 | I | B | 0.0000 | |
| 450 | N | B | 0.0000 | |
| 451 | L | B | 0.0000 | |
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| 458 | L | B | -0.7885 | |
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| 477 | G | B | 0.0000 | |
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| 479 | G | B | -2.6980 | |
| 480 | F | B | 0.0000 | |
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| 482 | D | B | -3.2005 | |
| 483 | L | B | 0.0000 | |
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| 485 | E | B | -2.8324 | |
| 486 | S | B | -1.6162 | |
| 487 | E | B | -1.2835 | |
| 488 | Y | B | -0.6337 | |
| 489 | P | B | -0.2791 | |
| 490 | W | B | -0.6600 | |
| 491 | E | B | -1.5417 | |
| 492 | M | B | 0.0000 | |
| 493 | P | B | -2.0650 | |
| 494 | L | B | -1.7882 | |
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| 496 | S | B | -2.7863 | |
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| 498 | K | B | -3.9238 | |
| 499 | E | B | -3.6558 | |
| 500 | M | B | 0.0000 | |
| 501 | H | B | -2.8617 | |
| 502 | R | B | -3.3241 | |
| 503 | A | B | -2.0080 | |
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| 505 | L | B | 0.0000 | |
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| 511 | A | B | 0.0000 | |
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| 513 | H | B | 0.0000 | |
| 514 | P | B | 0.0000 | |
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| 518 | A | B | 0.0000 | |
| 519 | R | B | -0.5144 | |
| 520 | L | B | 0.0000 | |
| 521 | S | B | 0.0000 | |
| 522 | K | B | -3.0129 | |
| 523 | N | B | -2.5546 | |
| 524 | I | B | -2.2246 | |
| 525 | D | B | -2.9428 | |
| 526 | Q | B | -2.2474 | |
| 527 | G | B | 0.0000 | |
| 528 | V | B | 0.0000 | |
| 529 | V | B | 0.0000 | |
| 530 | D | B | -1.5459 | |
| 531 | P | B | -1.7693 | |
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| 533 | L | B | 0.0000 | |
| 534 | K | B | -1.3437 | |
| 535 | V | B | 0.0000 | |
| 536 | H | B | -1.4240 | |
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| 538 | I | B | 0.0000 | |
| 539 | K | B | -2.9367 | |
| 540 | K | B | -2.1402 | |
| 541 | L | B | 0.0000 | |
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| 550 | P | B | 0.0000 | |
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| 555 | C | B | 0.0000 | |
| 556 | R | B | 0.0000 | |
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| 560 | S | B | 0.0000 | |
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| 563 | A | B | 0.0000 | |
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| 571 | M | B | -1.0054 | |
| 572 | I | B | 0.0000 | |
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| 574 | A | B | -1.5155 | |
| 575 | E | B | -2.4568 | |
| 576 | H | B | -2.1311 | |
| 577 | K | B | -2.8082 | |
| 578 | D | B | -2.5911 | |
| 579 | L | B | -1.3913 | |
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| 2 | A | C | -0.3541 | |
| 3 | T | C | -1.1065 | |
| 4 | D | C | -2.3058 | |
| 5 | G | C | -1.3234 | |
| 6 | S | C | -1.1037 | |
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| 8 | F | C | 0.0000 | |
| 9 | D | C | -1.3996 | |
| 10 | F | C | 0.0000 | |
| 11 | V | C | 0.0000 | |
| 12 | I | C | 0.0000 | |
| 13 | V | C | 0.0000 | |
| 14 | G | C | -0.2717 | |
| 15 | G | C | 0.0000 | |
| 16 | G | C | -0.2089 | |
| 17 | T | C | -0.0982 | |
| 18 | A | C | 0.0000 | |
| 19 | G | C | 0.0000 | |
| 20 | N | C | 0.0000 | |
| 21 | T | C | 0.0000 | |
| 22 | V | C | 0.0000 | |
| 23 | A | C | 0.0000 | |
| 24 | G | C | 0.0000 | |
| 25 | R | C | -1.1701 | |
| 26 | L | C | 0.0000 | |
| 27 | A | C | 0.0000 | |
| 28 | E | C | -2.3344 | |
| 29 | N | C | -1.5759 | |
| 30 | P | C | -1.6768 | |
| 31 | N | C | -1.7714 | |
| 32 | V | C | 0.0000 | |
| 33 | T | C | -0.9633 | |
| 34 | V | C | 0.0000 | |
| 35 | L | C | 0.0000 | |
| 36 | I | C | 0.0000 | |
| 37 | V | C | 0.0000 | |
| 38 | E | C | 0.0000 | |
| 39 | A | C | -0.9389 | |
| 40 | G | C | 0.0000 | |
| 41 | I | C | -0.8527 | |
| 42 | G | C | -1.0730 | |
| 43 | N | C | -1.8047 | |
| 44 | P | C | 0.0000 | |
| 45 | E | C | -2.4295 | |
| 46 | D | C | -2.6985 | |
| 47 | I | C | -1.5419 | |
| 48 | P | C | -1.3477 | |
| 49 | E | C | -1.7483 | |
| 50 | I | C | 0.0000 | |
| 51 | T | C | -1.1295 | |
| 52 | T | C | 0.0000 | |
| 53 | P | C | 0.0000 | |
| 54 | S | C | -0.3765 | |
| 55 | S | C | -0.8380 | |
| 56 | A | C | 0.0000 | |
| 57 | M | C | -1.1117 | |
| 58 | D | C | -2.2633 | |
| 59 | L | C | 0.0000 | |
| 60 | R | C | -1.7609 | |
| 61 | N | C | -2.1696 | |
| 62 | S | C | -2.0333 | |
| 63 | K | C | -2.0330 | |
| 64 | Y | C | 0.0000 | |
| 65 | D | C | 0.0000 | |
| 66 | W | C | -0.5736 | |
| 67 | A | C | -0.9580 | |
| 68 | Y | C | 0.0000 | |
| 69 | K | C | -0.8845 | |
| 70 | T | C | 0.0000 | |
| 71 | T | C | 0.0000 | |
| 72 | M | C | 0.0000 | |
| 73 | V | C | 0.0000 | |
| 74 | R | C | -1.4398 | |
| 75 | R | C | -1.7053 | |
| 76 | D | C | -1.9628 | |
| 77 | D | C | -2.2293 | |
| 78 | Y | C | -1.4461 | |
| 79 | E | C | -1.0055 | |
| 80 | R | C | 0.0000 | |
| 81 | I | C | 0.0303 | |
| 82 | E | C | 0.0000 | |
| 83 | K | C | -1.1134 | |
| 84 | P | C | 0.0000 | |
| 85 | N | C | 0.0000 | |
| 86 | T | C | 0.0000 | |
| 87 | R | C | -0.4551 | |
| 88 | G | C | -0.5633 | |
| 89 | K | C | -0.8272 | |
| 90 | T | C | 0.0000 | |
| 91 | L | C | 0.0000 | |
| 92 | G | C | 0.0000 | |
| 93 | G | C | 0.0000 | |
| 94 | S | C | -0.2206 | |
| 95 | S | C | 0.0000 | |
| 96 | S | C | 0.0000 | |
| 97 | L | C | 0.0000 | |
| 98 | N | C | -0.1417 | |
| 99 | Y | C | 0.0913 | |
| 100 | F | C | 0.0000 | |
| 101 | T | C | 0.0000 | |
| 102 | W | C | 0.0000 | |
| 103 | V | C | 0.0000 | |
| 104 | P | C | 0.0000 | |
| 105 | G | C | 0.0000 | |
| 106 | H | C | 0.0000 | |
| 107 | K | C | -1.9779 | |
| 108 | A | C | -0.9166 | |
| 109 | T | C | 0.0000 | |
| 110 | F | C | 0.0000 | |
| 111 | D | C | -2.4940 | |
| 112 | Q | C | -2.1457 | |
| 113 | W | C | 0.0000 | |
| 114 | E | C | -3.5424 | |
| 115 | E | C | -3.1734 | |
| 116 | F | C | -2.1346 | |
| 117 | G | C | 0.0000 | |
| 118 | G | C | -2.7485 | |
| 119 | K | C | -3.4897 | |
| 120 | E | C | -2.9558 | |
| 121 | W | C | 0.0000 | |
| 122 | T | C | 0.0000 | |
| 123 | W | C | 0.0000 | |
| 124 | D | C | -2.5321 | |
| 125 | P | C | -1.6345 | |
| 126 | L | C | 0.0000 | |
| 127 | V | C | -0.9242 | |
| 128 | P | C | -0.8876 | |
| 129 | Y | C | -0.6640 | |
| 130 | L | C | 0.0000 | |
| 131 | R | C | -1.0570 | |
| 132 | K | C | -1.3838 | |
| 133 | S | C | 0.0000 | |
| 134 | A | C | 0.0000 | |
| 135 | T | C | -0.9959 | |
| 136 | Y | C | 0.0000 | |
| 137 | H | C | -1.3240 | |
| 138 | D | C | -1.7305 | |
| 139 | D | C | -2.0551 | |
| 140 | P | C | -1.3601 | |
| 141 | R | C | -1.7794 | |
| 142 | L | C | 0.2540 | |
| 143 | Y | C | 0.0000 | |
| 144 | S | C | -1.4709 | |
| 145 | P | C | -2.0848 | |
| 146 | E | C | -2.9313 | |
| 147 | L | C | 0.0000 | |
| 148 | E | C | -3.1507 | |
| 149 | K | C | -2.6029 | |
| 150 | I | C | 0.0000 | |
| 151 | G | C | -1.5837 | |
| 152 | G | C | -1.4668 | |
| 153 | G | C | -1.0105 | |
| 154 | G | C | 0.0000 | |
| 155 | P | C | -0.4725 | |
| 156 | I | C | 0.0000 | |
| 157 | P | C | -0.4003 | |
| 158 | I | C | 0.0000 | |
| 159 | S | C | 0.0000 | |
| 160 | H | C | 0.0000 | |
| 161 | A | C | -0.3177 | |
| 162 | E | C | -1.3870 | |
| 163 | L | C | -0.7198 | |
| 164 | I | C | 0.0000 | |
| 165 | D | C | -2.4761 | |
| 166 | E | C | -2.1829 | |
| 167 | M | C | 0.0000 | |
| 168 | A | C | -1.4824 | |
| 169 | P | C | -1.3857 | |
| 170 | F | C | 0.0000 | |
| 171 | R | C | 0.0000 | |
| 172 | E | C | -2.3510 | |
| 173 | N | C | -2.2730 | |
| 174 | L | C | 0.0000 | |
| 175 | T | C | -1.9547 | |
| 176 | K | C | -2.9295 | |
| 177 | A | C | 0.0000 | |
| 178 | W | C | 0.0000 | |
| 179 | K | C | -2.5368 | |
| 180 | S | C | -2.1531 | |
| 181 | M | C | -1.4937 | |
| 182 | G | C | -1.1515 | |
| 183 | Q | C | -1.1396 | |
| 184 | P | C | -0.6546 | |
| 185 | L | C | -0.2502 | |
| 186 | I | C | -0.8425 | |
| 187 | E | C | -1.6228 | |
| 188 | N | C | -2.1668 | |
| 189 | I | C | 0.0000 | |
| 190 | Y | C | 0.0000 | |
| 191 | D | C | -2.0089 | |
| 192 | G | C | 0.0000 | |
| 193 | E | C | -2.8217 | |
| 194 | M | C | 0.0000 | |
| 195 | D | C | -2.1276 | |
| 196 | G | C | 0.0000 | |
| 197 | L | C | 0.0000 | |
| 198 | T | C | 0.0000 | |
| 199 | H | C | -0.4253 | |
| 200 | C | C | 0.0000 | |
| 201 | C | C | 0.0000 | |
| 202 | D | C | 0.0000 | |
| 203 | T | C | 0.0000 | |
| 204 | I | C | 0.0000 | |
| 205 | Y | C | -1.3361 | |
| 206 | R | C | -2.6820 | |
| 207 | G | C | 0.0000 | |
| 208 | Q | C | -1.4032 | |
| 209 | R | C | 0.0000 | |
| 210 | S | C | 0.0000 | |
| 211 | G | C | 0.0000 | |
| 212 | S | C | 0.0000 | |
| 213 | F | C | 0.0000 | |
| 214 | L | C | -0.6213 | |
| 215 | F | C | 0.0000 | |
| 216 | V | C | 0.0000 | |
| 217 | K | C | -2.1842 | |
| 218 | N | C | -2.2830 | |
| 219 | K | C | -2.0374 | |
| 220 | P | C | -1.0934 | |
| 221 | N | C | -1.1492 | |
| 222 | I | C | 0.0000 | |
| 223 | T | C | 0.1342 | |
| 224 | I | C | 0.3811 | |
| 225 | V | C | 0.0369 | |
| 226 | P | C | -0.8724 | |
| 227 | E | C | -1.8230 | |
| 228 | V | C | 0.0000 | |
| 229 | H | C | -1.0065 | |
| 230 | S | C | -0.9562 | |
| 231 | K | C | -1.2790 | |
| 232 | R | C | -1.3775 | |
| 233 | L | C | 0.0000 | |
| 234 | I | C | -0.4319 | |
| 235 | I | C | -1.5803 | |
| 236 | N | C | -2.5828 | |
| 237 | E | C | -2.8608 | |
| 238 | A | C | -2.1428 | |
| 239 | D | C | -3.5143 | |
| 240 | R | C | -3.5184 | |
| 241 | T | C | -2.7983 | |
| 242 | C | C | 0.0000 | |
| 243 | K | C | -1.7086 | |
| 244 | G | C | 0.0000 | |
| 245 | V | C | 0.0000 | |
| 246 | T | C | -1.1584 | |
| 247 | V | C | 0.0000 | |
| 248 | V | C | 0.0000 | |
| 249 | T | C | -1.4211 | |
| 250 | A | C | -1.0026 | |
| 251 | A | C | -0.9228 | |
| 252 | G | C | -1.4638 | |
| 253 | N | C | -2.2642 | |
| 254 | E | C | -2.8187 | |
| 255 | L | C | -1.9036 | |
| 256 | N | C | -1.5266 | |
| 257 | F | C | 0.0000 | |
| 258 | F | C | -0.9178 | |
| 259 | A | C | 0.0000 | |
| 260 | D | C | -2.1958 | |
| 261 | R | C | -1.5042 | |
| 262 | E | C | 0.0000 | |
| 263 | V | C | 0.0000 | |
| 264 | I | C | 0.0000 | |
| 265 | L | C | 0.0000 | |
| 266 | S | C | 0.0000 | |
| 267 | Q | C | -0.3096 | |
| 268 | G | C | -0.2774 | |
| 269 | V | C | 0.0000 | |
| 270 | F | C | 0.0000 | |
| 271 | E | C | 0.0000 | |
| 272 | T | C | 0.0000 | |
| 273 | P | C | 0.0000 | |
| 274 | K | C | 0.0000 | |
| 275 | L | C | 0.0000 | |
| 276 | L | C | 0.0000 | |
| 277 | M | C | 0.0000 | |
| 278 | L | C | 0.0000 | |
| 279 | S | C | 0.0000 | |
| 280 | G | C | 0.0000 | |
| 281 | I | C | 0.0000 | |
| 282 | G | C | 0.0000 | |
| 283 | P | C | -0.8567 | |
| 284 | T | C | -1.2472 | |
| 285 | R | C | -1.6918 | |
| 286 | E | C | 0.0000 | |
| 287 | L | C | 0.0000 | |
| 288 | S | C | -1.8990 | |
| 289 | R | C | -2.4910 | |
| 290 | H | C | -1.9076 | |
| 291 | G | C | -1.4879 | |
| 292 | I | C | 0.0000 | |
| 293 | N | C | -1.6433 | |
| 294 | T | C | -0.9125 | |
| 295 | I | C | -0.8390 | |
| 296 | V | C | 0.0000 | |
| 297 | D | C | -1.1684 | |
| 298 | S | C | 0.0000 | |
| 299 | R | C | -1.2714 | |
| 300 | H | C | 0.0000 | |
| 301 | V | C | 0.0000 | |
| 302 | G | C | 0.0000 | |
| 303 | Q | C | -0.8233 | |
| 304 | N | C | -0.6973 | |
| 305 | L | C | 0.0000 | |
| 306 | M | C | -0.2893 | |
| 307 | D | C | 0.0000 | |
| 308 | H | C | 0.0000 | |
| 309 | P | C | 0.0000 | |
| 310 | G | C | 0.0000 | |
| 311 | V | C | 0.0000 | |
| 312 | P | C | 0.0000 | |
| 313 | F | C | 0.0000 | |
| 314 | V | C | 0.0000 | |
| 315 | L | C | 0.0000 | |
| 316 | R | C | -1.5183 | |
| 317 | V | C | 0.0000 | |
| 318 | K | C | -2.9032 | |
| 319 | D | C | -2.9667 | |
| 320 | G | C | -1.9762 | |
| 321 | F | C | -1.1712 | |
| 322 | G | C | 0.0000 | |
| 323 | M | C | 0.0000 | |
| 324 | D | C | 0.0000 | |
| 325 | D | C | -2.3121 | |
| 326 | V | C | 0.0000 | |
| 327 | L | C | 0.0000 | |
| 328 | L | C | -0.2830 | |
| 329 | R | C | -1.6240 | |
| 330 | H | C | -2.0854 | |
| 331 | G | C | -1.9610 | |
| 332 | P | C | -2.0733 | |
| 333 | K | C | -2.6495 | |
| 334 | R | C | -2.4977 | |
| 335 | D | C | -2.5528 | |
| 336 | A | C | -1.3480 | |
| 337 | V | C | -1.1168 | |
| 338 | V | C | -1.2617 | |
| 339 | S | C | -1.5962 | |
| 340 | A | C | -1.7648 | |
| 341 | Y | C | 0.0000 | |
| 342 | N | C | -2.6612 | |
| 343 | K | C | -3.2110 | |
| 344 | N | C | -3.2941 | |
| 345 | R | C | -3.0614 | |
| 346 | S | C | -2.2383 | |
| 347 | G | C | -1.3847 | |
| 348 | P | C | 0.0000 | |
| 349 | V | C | -0.3528 | |
| 350 | G | C | 0.0000 | |
| 351 | S | C | 0.0000 | |
| 352 | G | C | -0.1820 | |
| 353 | L | C | 0.0000 | |
| 354 | L | C | 0.0000 | |
| 355 | E | C | 0.0000 | |
| 356 | L | C | 0.0000 | |
| 357 | V | C | 0.0000 | |
| 358 | G | C | 0.0000 | |
| 359 | F | C | 0.0000 | |
| 360 | P | C | 0.0000 | |
| 361 | R | C | -1.1358 | |
| 362 | I | C | 0.0000 | |
| 363 | D | C | -2.0686 | |
| 364 | K | C | -2.9148 | |
| 365 | Y | C | -2.0634 | |
| 366 | L | C | 0.0000 | |
| 367 | E | C | -3.9762 | |
| 368 | K | C | -3.4951 | |
| 369 | D | C | -2.9313 | |
| 370 | A | C | -2.3833 | |
| 371 | E | C | -3.2395 | |
| 372 | Y | C | 0.0000 | |
| 373 | R | C | -3.5302 | |
| 374 | K | C | -2.7886 | |
| 375 | A | C | -2.0935 | |
| 376 | K | C | -2.5611 | |
| 377 | A | C | -2.1585 | |
| 378 | A | C | 0.0000 | |
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| 380 | G | C | -2.2428 | |
| 381 | G | C | -2.3929 | |
| 382 | K | C | -2.3638 | |
| 383 | D | C | 0.0000 | |
| 384 | P | C | -0.6017 | |
| 385 | F | C | 0.0000 | |
| 386 | S | C | 0.0000 | |
| 387 | P | C | -0.4451 | |
| 388 | L | C | 0.2663 | |
| 389 | G | C | -0.5797 | |
| 390 | Q | C | 0.0000 | |
| 391 | P | C | 0.0000 | |
| 392 | H | C | 0.0000 | |
| 393 | F | C | 0.0000 | |
| 394 | E | C | 0.0000 | |
| 395 | L | C | 0.0000 | |
| 396 | D | C | 0.0000 | |
| 397 | F | C | 0.0000 | |
| 398 | V | C | 0.0000 | |
| 399 | C | C | 0.0000 | |
| 400 | M | C | 0.0000 | |
| 401 | F | C | 0.0000 | |
| 402 | G | C | 0.0000 | |
| 403 | T | C | -0.3100 | |
| 404 | A | C | 0.0000 | |
| 405 | F | C | 0.0000 | |
| 406 | Q | C | 0.0000 | |
| 407 | W | C | -0.0859 | |
| 408 | H | C | -0.6753 | |
| 409 | F | C | 0.0306 | |
| 410 | P | C | -0.6646 | |
| 411 | T | C | -0.4712 | |
| 412 | P | C | -0.9181 | |
| 413 | K | C | -1.9706 | |
| 414 | T | C | -1.2577 | |
| 415 | G | C | -1.7045 | |
| 416 | D | C | 0.0000 | |
| 417 | H | C | 0.0000 | |
| 418 | L | C | 0.0000 | |
| 419 | T | C | 0.0000 | |
| 420 | V | C | 0.0000 | |
| 421 | V | C | 0.0000 | |
| 422 | V | C | 0.0000 | |
| 423 | D | C | 0.0000 | |
| 424 | L | C | 0.0000 | |
| 425 | V | C | 0.0000 | |
| 426 | R | C | -0.0124 | |
| 427 | P | C | 0.0000 | |
| 428 | I | C | 0.0102 | |
| 429 | S | C | 0.0000 | |
| 430 | D | C | -1.4047 | |
| 431 | P | C | -0.9513 | |
| 432 | G | C | 0.0000 | |
| 433 | E | C | -0.9156 | |
| 434 | V | C | 0.0000 | |
| 435 | T | C | -0.6319 | |
| 436 | L | C | 0.0000 | |
| 437 | N | C | -1.3289 | |
| 438 | S | C | -1.2416 | |
| 439 | A | C | -1.0694 | |
| 440 | D | C | -1.1971 | |
| 441 | P | C | -0.5571 | |
| 442 | F | C | 0.7897 | |
| 445 | Q | C | -0.6104 | |
| 446 | Q | C | -0.6256 | |
| 447 | P | C | 0.0000 | |
| 448 | N | C | -1.1094 | |
| 449 | I | C | 0.0000 | |
| 450 | N | C | 0.0000 | |
| 451 | L | C | 0.0000 | |
| 452 | N | C | -0.9524 | |
| 453 | F | C | 0.0000 | |
| 454 | F | C | 0.0000 | |
| 455 | A | C | -1.0416 | |
| 456 | N | C | -0.9192 | |
| 457 | D | C | -1.5503 | |
| 458 | L | C | 0.0000 | |
| 459 | D | C | 0.0000 | |
| 460 | I | C | 0.0000 | |
| 461 | I | C | 0.0000 | |
| 462 | A | C | 0.0000 | |
| 463 | M | C | 0.0000 | |
| 464 | R | C | 0.0000 | |
| 465 | E | C | 0.0000 | |
| 466 | G | C | 0.0000 | |
| 467 | I | C | 0.0000 | |
| 468 | R | C | -0.6186 | |
| 469 | F | C | 0.0000 | |
| 470 | S | C | 0.0000 | |
| 471 | Y | C | 0.0000 | |
| 472 | D | C | -0.7553 | |
| 473 | L | C | 0.0000 | |
| 474 | L | C | 0.0000 | |
| 475 | F | C | -1.1910 | |
| 476 | K | C | -2.3078 | |
| 477 | G | C | 0.0000 | |
| 478 | E | C | -3.0015 | |
| 479 | G | C | -2.4470 | |
| 480 | F | C | 0.0000 | |
| 481 | K | C | -2.6899 | |
| 482 | D | C | -3.0229 | |
| 483 | L | C | 0.0000 | |
| 484 | V | C | -1.8849 | |
| 485 | E | C | -2.7424 | |
| 486 | S | C | -1.5803 | |
| 487 | E | C | -1.2698 | |
| 488 | Y | C | -0.6284 | |
| 489 | P | C | -0.3198 | |
| 490 | W | C | -0.7924 | |
| 491 | E | C | -2.0052 | |
| 492 | M | C | 0.0000 | |
| 493 | P | C | -2.0902 | |
| 494 | L | C | -1.8234 | |
| 495 | D | C | -2.5328 | |
| 496 | S | C | -2.6353 | |
| 497 | D | C | -3.5202 | |
| 498 | K | C | -3.7725 | |
| 499 | E | C | -3.4600 | |
| 500 | M | C | 0.0000 | |
| 501 | H | C | -2.7107 | |
| 502 | R | C | -3.2247 | |
| 503 | A | C | -1.9367 | |
| 504 | V | C | 0.0000 | |
| 505 | L | C | 0.0000 | |
| 506 | D | C | -1.1831 | |
| 507 | R | C | -0.7851 | |
| 508 | C | C | 0.0000 | |
| 509 | Q | C | 0.0000 | |
| 510 | T | C | 0.0000 | |
| 511 | A | C | 0.0000 | |
| 512 | F | C | 0.1410 | |
| 513 | H | C | 0.0000 | |
| 514 | P | C | 0.0000 | |
| 515 | T | C | 0.0000 | |
| 516 | G | C | 0.0000 | |
| 517 | T | C | 0.0000 | |
| 518 | A | C | 0.0000 | |
| 519 | R | C | -0.3311 | |
| 520 | L | C | 0.0000 | |
| 521 | S | C | 0.0000 | |
| 522 | K | C | -2.7639 | |
| 523 | N | C | -2.0747 | |
| 524 | I | C | -1.1338 | |
| 525 | D | C | -1.9736 | |
| 526 | Q | C | -1.8216 | |
| 527 | G | C | 0.0000 | |
| 528 | V | C | 0.0000 | |
| 529 | V | C | 0.0000 | |
| 530 | D | C | -1.5433 | |
| 531 | P | C | -1.8443 | |
| 532 | K | C | -1.9583 | |
| 533 | L | C | 0.0000 | |
| 534 | K | C | -1.5051 | |
| 535 | V | C | 0.0000 | |
| 536 | H | C | -1.1711 | |
| 537 | G | C | -1.1840 | |
| 538 | I | C | 0.0000 | |
| 539 | K | C | -2.9394 | |
| 540 | K | C | -2.0377 | |
| 541 | L | C | 0.0000 | |
| 542 | R | C | 0.0000 | |
| 543 | V | C | 0.0000 | |
| 544 | A | C | 0.0000 | |
| 545 | D | C | 0.0000 | |
| 546 | A | C | -0.0797 | |
| 547 | S | C | 0.0000 | |
| 548 | V | C | 0.0000 | |
| 549 | I | C | 0.0000 | |
| 550 | P | C | 0.0000 | |
| 551 | I | C | 0.2087 | |
| 552 | I | C | 0.0000 | |
| 553 | P | C | 0.0000 | |
| 554 | D | C | 0.0000 | |
| 555 | C | C | 0.0000 | |
| 556 | R | C | 0.0000 | |
| 557 | I | C | 0.0000 | |
| 558 | Q | C | 0.0000 | |
| 559 | N | C | 0.0000 | |
| 560 | S | C | 0.0000 | |
| 561 | V | C | 0.0000 | |
| 562 | Y | C | 0.0000 | |
| 563 | A | C | 0.0000 | |
| 564 | V | C | 0.0000 | |
| 565 | G | C | 0.0000 | |
| 566 | E | C | 0.0000 | |
| 567 | K | C | 0.0000 | |
| 568 | C | C | 0.0000 | |
| 569 | A | C | 0.0000 | |
| 570 | D | C | -1.3422 | |
| 571 | M | C | -1.0987 | |
| 572 | I | C | 0.0000 | |
| 573 | K | C | -1.4601 | |
| 574 | A | C | -1.5787 | |
| 575 | E | C | -2.5200 | |
| 576 | H | C | -2.2518 | |
| 577 | K | C | -2.8437 | |
| 578 | D | C | -2.5962 | |
| 579 | L | C | -1.3198 | |
| 580 | Y | C | -1.0351 |
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