| Chain sequence(s) |
A: ARPCIPKSFGYSSVVCVCNATYCDSFDPPTFPALGTFSRYESTRSGRRMELSMGPIQANHTGTGLLLTLQPEQQKFQKVKGFGGAMTDAAALNILALSPPAQNLLLKSYFSEEGIGYNIIRVPMASCDFSIRTYTYADTPDDFQLHNFSLPEEDTKLKIPLIHRALQLAQRPVSLLASPWTSPTWLKTNGAVNGKGSLKGQPGDIYHQTWARYFVKFLDAYAEHKLQFWAVTAENEPSAGLLSGYPFQCLGFTPEHQRDFIARDLGPTLANSTHHNVRLLMLDDQRLLLPHWAKVVLTDPEAAKYVHGIAVHWYLDFLAPAKATLGETHRLFPNTMLFASEACVGSKFFWEQSVRLGSWDRGMQYSHSIITNLLYHVVGWTDWNLALNPEGGPNWVRNFVDSPIIVDITKDTFYKQPMFYHLGHFSKFIPEGSQRVGLVASQKNDLDAVALMHPDGSAVVVVLNRSSKDVPLTIKDPAVGFLETISPGYSIHTYLWRRQ
C: ARPCIPKSFGYSSVVCVCNATYCDSFDPPTFPALGTFSRYESTRSGRRMELSMGPIQANHTGTGLLLTLQPEQKFQKVKGFGGAMTDAAALNILALSPPAQNLLLKSYFSEEGIGYNIIRVPMASCDFSIRTYTYADTPDDFQLHNFSLPEEDTKLKIPLIHRALQLAQRPVSLLASPWTSPTWLKTNGAVNGKGSLKGQPGDIYHQTWARYFVKFLDAYAEHKLQFWAVTAENEPSAGLLSGYPFQCLGFTPEHQRDFIARDLGPTLANSTHHNVRLLMLDDQRLLLPHWAKVVLTDPEAAKYVHGIAVHWYLDFLAPAKATLGETHRLFPNTMLFASEACVGSKFWEQSVRLGSWDRGMQYSHSIITNLLYHVVGWTDWNLALNPEGGPNWVRNFVDSPIIVDITKDTFYKQPMFYHLGHFSKFIPEGSQRVGLVASQKNDLDAVALMHPDGSAVVVVLNRSSKDVPLTIKDPAVGFLETISPGYSIHTYLWRR B: ARPCIPKSFGYSSVVCVCNATYCDSFDPPTFPALGTFSRYESTRSGRRMELSMGPIQANHTGTGLLLTLQPEQKFQKVKGFGGAMTDAAALNILALSPPAQNLLLKSYFSEEGIGYNIIRVPMASCDFSIRTYTYADTPDDFQLHNFSLPEEDTKLKIPLIHRALQLAQRPVSLLASPWTSPTWLKTNGAVNGKGSLKGQPGDIYHQTWARYFVKFLDAYAEHKLQFWAVTAENEPSAGLLSGYPFQCLGFTPEHQRDFIARDLGPTLANSTHHNVRLLMLDDQRLLLPHWWAKVVLTDPEAAKYVHGIAVHWYLDFLAPAKATLGETHRLFPNTMLFASEACVGSKFWEQSVRLGSWDRGMQYSHSIITNLLYHVVGWTDWNLALNPEGGPNWVVRNFVDSPIIVDITKDTFYKQPMFYHLGHFSKFIPEGSQRVGLVASQKNDLDAVALMHPDGSAVVVVLNRSSKDVPLTIKDPAVGFLETISPGYSIHTYLWRRQ D: ARPCIPKSFGYSSVVCVCNATYCDSFDPPTFPALGTFSRYESTRSGRRMELSMGPIQANHTGTGLLLTLQPEQKFQKVKGFGGAMTDAAALNILALSPPAQNLLLKSYFSEEGIGYNIIRVPMASCDFSIRTYTYADTPDDFQLHNFSLPEEDTKLKIPLIHRALQLAQRPVSLLASPWTSPTWLKTNGAVNGKGSLKGQPGDIYHQTWARYFVKFLDAYAEHKLQFWAVTAENEPSAGLLLSGYPFQCLGFTPEHQRDFIARDLGPTLANSTHHNVRLLMLDDQRLLLPHWAKVVLTDPEAAKYVHGIAVHWYLDFLAPAKATLGETHRLFPNTMLFASEACVGSKFWEQSVRLGSWDRGMQYSHSIITNLLYHVVGWTDWNLALNPEGGPNWVRNFVDSPIIVDITKDTFYKQPMFYHLGHFSKFIPEGSQRVGLVASQKNDLDAVALMHPDGSAVVVVLNRSSKDVPLTIKDPAVGFLETISPGYSIHTYLWRRQ 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. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:18:52)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c1d924db331f1c5/tmp/folded.pdb (00:18:52)
[INFO] Main: Simulation completed successfully. (00:33:08)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | A | A | -1.3243 | |
| 2 | R | A | -1.5703 | |
| 3 | P | A | -0.9759 | |
| 4 | C | A | -0.2385 | |
| 5 | I | A | 0.7601 | |
| 6 | P | A | 0.0628 | |
| 7 | K | A | -0.0686 | |
| 8 | S | A | -0.1297 | |
| 9 | F | A | 0.1185 | |
| 10 | G | A | -0.2636 | |
| 11 | Y | A | -0.0776 | |
| 12 | S | A | -0.5652 | |
| 13 | S | A | 0.0000 | |
| 14 | V | A | -0.0428 | |
| 15 | V | A | 0.0000 | |
| 16 | C | A | 0.0000 | |
| 17 | V | A | 0.3563 | |
| 18 | C | A | 0.0000 | |
| 19 | N | A | -0.7980 | |
| 20 | A | A | -0.6209 | |
| 21 | T | A | -0.1027 | |
| 22 | Y | A | -0.0571 | |
| 23 | C | A | 0.0000 | |
| 24 | D | A | -0.4828 | |
| 25 | S | A | -1.1056 | |
| 26 | F | A | -1.3975 | |
| 27 | D | A | -2.2069 | |
| 28 | P | A | -1.1695 | |
| 29 | P | A | -0.4769 | |
| 30 | T | A | 0.4009 | |
| 31 | F | A | 1.8377 | |
| 32 | P | A | 1.0850 | |
| 33 | A | A | 0.6728 | |
| 34 | L | A | 0.8232 | |
| 35 | G | A | -0.0137 | |
| 36 | T | A | 0.1098 | |
| 37 | F | A | 0.0000 | |
| 38 | S | A | 0.0000 | |
| 39 | R | A | -0.0415 | |
| 40 | Y | A | -0.3110 | |
| 41 | E | A | -0.8528 | |
| 42 | S | A | 0.0000 | |
| 43 | T | A | 0.0000 | |
| 44 | R | A | -1.1520 | |
| 45 | S | A | -0.7679 | |
| 46 | G | A | -0.7563 | |
| 47 | R | A | -1.6064 | |
| 48 | R | A | 0.0000 | |
| 49 | M | A | 0.0000 | |
| 50 | E | A | -1.6080 | |
| 51 | L | A | 0.2465 | |
| 52 | S | A | 0.2389 | |
| 53 | M | A | 0.7910 | |
| 54 | G | A | -0.1665 | |
| 55 | P | A | -0.3841 | |
| 56 | I | A | -0.5748 | |
| 57 | Q | A | -1.6837 | |
| 58 | A | A | -1.0758 | |
| 59 | N | A | -1.7259 | |
| 60 | H | A | -1.4207 | |
| 61 | T | A | -0.7851 | |
| 62 | G | A | -0.7096 | |
| 63 | T | A | -0.6751 | |
| 64 | G | A | -0.8046 | |
| 65 | L | A | 0.0000 | |
| 66 | L | A | -0.2238 | |
| 67 | L | A | 0.0000 | |
| 68 | T | A | 0.2900 | |
| 69 | L | A | 0.0000 | |
| 70 | Q | A | -1.2399 | |
| 71 | P | A | -1.7936 | |
| 72 | E | A | -2.8762 | |
| 73 | Q | A | -2.6792 | |
| 74 | K | A | -2.7826 | |
| 75 | F | A | -1.0294 | |
| 76 | Q | A | -1.0551 | |
| 77 | K | A | -2.1992 | |
| 78 | V | A | 0.0000 | |
| 79 | K | A | -0.9296 | |
| 80 | G | A | 0.0000 | |
| 81 | F | A | 0.0000 | |
| 82 | G | A | 0.0000 | |
| 83 | G | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | M | A | 0.0000 | |
| 86 | T | A | 0.0000 | |
| 87 | D | A | 0.0000 | |
| 88 | A | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | A | A | 0.0000 | |
| 91 | L | A | 0.5545 | |
| 92 | N | A | 0.0000 | |
| 93 | I | A | 0.0000 | |
| 94 | L | A | 0.4356 | |
| 95 | A | A | 0.3448 | |
| 96 | L | A | 0.0000 | |
| 97 | S | A | -0.5804 | |
| 98 | P | A | -0.6827 | |
| 99 | P | A | -0.5701 | |
| 100 | A | A | 0.0000 | |
| 101 | Q | A | 0.0000 | |
| 102 | N | A | -0.8575 | |
| 103 | L | A | -0.4183 | |
| 104 | L | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | K | A | -0.9001 | |
| 107 | S | A | 0.0000 | |
| 108 | Y | A | 0.0000 | |
| 109 | F | A | 0.0000 | |
| 110 | S | A | 0.0000 | |
| 111 | E | A | -1.1687 | |
| 112 | E | A | -1.4142 | |
| 113 | G | A | 0.0000 | |
| 114 | I | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | Y | A | 0.0000 | |
| 117 | N | A | 0.0000 | |
| 118 | I | A | 0.0000 | |
| 119 | I | A | 0.0000 | |
| 120 | R | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | P | A | 0.0000 | |
| 123 | M | A | 0.0000 | |
| 124 | A | A | 0.0000 | |
| 125 | S | A | 0.0000 | |
| 126 | C | A | 0.0000 | |
| 127 | D | A | 0.0000 | |
| 128 | F | A | 0.0000 | |
| 129 | S | A | 0.0000 | |
| 130 | I | A | 1.0026 | |
| 131 | R | A | 0.2859 | |
| 132 | T | A | 0.1318 | |
| 133 | Y | A | 0.0000 | |
| 134 | T | A | 0.0000 | |
| 135 | Y | A | 0.0000 | |
| 136 | A | A | 0.0000 | |
| 137 | D | A | -2.3082 | |
| 138 | T | A | -1.7943 | |
| 139 | P | A | -1.7158 | |
| 140 | D | A | -2.2073 | |
| 141 | D | A | 0.0000 | |
| 142 | F | A | -0.8879 | |
| 143 | Q | A | -1.7125 | |
| 144 | L | A | 0.0000 | |
| 145 | H | A | -1.9164 | |
| 146 | N | A | -2.0907 | |
| 147 | F | A | -1.2730 | |
| 148 | S | A | -0.8280 | |
| 149 | L | A | -0.2894 | |
| 150 | P | A | -0.3877 | |
| 151 | E | A | -1.0448 | |
| 152 | E | A | 0.0000 | |
| 153 | D | A | 0.0000 | |
| 154 | T | A | -0.5556 | |
| 155 | K | A | -0.9461 | |
| 156 | L | A | -0.2149 | |
| 157 | K | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | P | A | -0.4951 | |
| 160 | L | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | H | A | -1.0606 | |
| 163 | R | A | -1.0663 | |
| 164 | A | A | 0.0000 | |
| 165 | L | A | -0.4653 | |
| 166 | Q | A | -1.3028 | |
| 167 | L | A | -0.9146 | |
| 168 | A | A | -0.9553 | |
| 169 | Q | A | -1.4974 | |
| 170 | R | A | -0.9522 | |
| 171 | P | A | -0.5509 | |
| 172 | V | A | -0.1803 | |
| 173 | S | A | -0.0993 | |
| 174 | L | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | A | A | 0.0000 | |
| 177 | S | A | 0.0000 | |
| 178 | P | A | 0.0000 | |
| 179 | W | A | 0.0000 | |
| 180 | T | A | 0.0000 | |
| 181 | S | A | 0.0000 | |
| 182 | P | A | 0.0000 | |
| 183 | T | A | -0.8799 | |
| 184 | W | A | -0.9501 | |
| 185 | L | A | 0.0000 | |
| 186 | K | A | 0.0000 | |
| 187 | T | A | -1.0037 | |
| 188 | N | A | -1.2698 | |
| 189 | G | A | -0.8162 | |
| 190 | A | A | -0.5692 | |
| 191 | V | A | -0.2350 | |
| 192 | N | A | -0.7183 | |
| 193 | G | A | -1.0431 | |
| 194 | K | A | -1.5450 | |
| 195 | G | A | 0.0000 | |
| 196 | S | A | -0.8099 | |
| 197 | L | A | 0.0000 | |
| 198 | K | A | -1.0841 | |
| 199 | G | A | -1.1729 | |
| 200 | Q | A | -1.7812 | |
| 201 | P | A | -1.4654 | |
| 202 | G | A | -1.0780 | |
| 203 | D | A | -0.3964 | |
| 204 | I | A | 1.2638 | |
| 205 | Y | A | 0.2102 | |
| 206 | H | A | 0.0000 | |
| 207 | Q | A | -0.4602 | |
| 208 | T | A | 0.0000 | |
| 209 | W | A | 0.0000 | |
| 210 | A | A | 0.0000 | |
| 211 | R | A | -0.8637 | |
| 212 | Y | A | 0.0000 | |
| 213 | F | A | 0.0000 | |
| 214 | V | A | -0.8517 | |
| 215 | K | A | -1.0458 | |
| 216 | F | A | 0.0000 | |
| 217 | L | A | 0.0000 | |
| 218 | D | A | -2.3852 | |
| 219 | A | A | -1.7865 | |
| 220 | Y | A | 0.0000 | |
| 221 | A | A | -2.5557 | |
| 222 | E | A | -3.0390 | |
| 223 | H | A | -2.4701 | |
| 224 | K | A | -2.9368 | |
| 225 | L | A | 0.0000 | |
| 226 | Q | A | -1.9834 | |
| 227 | F | A | 0.0000 | |
| 228 | W | A | -0.5131 | |
| 229 | A | A | 0.0000 | |
| 230 | V | A | 0.0000 | |
| 231 | T | A | 0.0000 | |
| 232 | A | A | 0.0000 | |
| 233 | E | A | 0.0000 | |
| 234 | N | A | 0.0000 | |
| 235 | E | A | -0.1787 | |
| 236 | P | A | 0.0000 | |
| 237 | S | A | -0.0041 | |
| 238 | A | A | -0.1189 | |
| 239 | G | A | 0.0000 | |
| 240 | L | A | 0.0769 | |
| 241 | L | A | 0.3409 | |
| 242 | S | A | -0.4222 | |
| 243 | G | A | -0.5834 | |
| 244 | Y | A | -0.3536 | |
| 245 | P | A | -0.4339 | |
| 246 | F | A | -0.0728 | |
| 247 | Q | A | 0.0000 | |
| 248 | C | A | 0.0000 | |
| 249 | L | A | 0.0000 | |
| 250 | G | A | 0.0000 | |
| 251 | F | A | 0.0000 | |
| 252 | T | A | -0.3982 | |
| 253 | P | A | -0.8679 | |
| 254 | E | A | -1.2659 | |
| 255 | H | A | -1.0598 | |
| 256 | Q | A | 0.0000 | |
| 257 | R | A | -1.5542 | |
| 258 | D | A | -1.9942 | |
| 259 | F | A | 0.0000 | |
| 260 | I | A | 0.0000 | |
| 261 | A | A | 0.0000 | |
| 262 | R | A | -2.6449 | |
| 263 | D | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | P | A | -1.1421 | |
| 267 | T | A | -1.0409 | |
| 268 | L | A | 0.0000 | |
| 269 | A | A | -1.3106 | |
| 270 | N | A | -1.5315 | |
| 271 | S | A | -1.3444 | |
| 272 | T | A | -1.0509 | |
| 273 | H | A | -1.6172 | |
| 274 | H | A | -2.0490 | |
| 275 | N | A | -1.9117 | |
| 276 | V | A | -1.3900 | |
| 277 | R | A | -1.3793 | |
| 278 | L | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | M | A | 0.0000 | |
| 281 | L | A | 0.0000 | |
| 282 | D | A | 0.0000 | |
| 283 | D | A | 0.0000 | |
| 284 | Q | A | 0.2764 | |
| 285 | R | A | 0.1993 | |
| 286 | L | A | 1.0651 | |
| 287 | L | A | 0.3535 | |
| 288 | L | A | 0.0000 | |
| 289 | P | A | -0.7858 | |
| 290 | H | A | -1.1134 | |
| 291 | W | A | 0.0000 | |
| 292 | A | A | 0.0000 | |
| 293 | K | A | -1.0943 | |
| 294 | V | A | -0.8929 | |
| 295 | V | A | 0.0000 | |
| 296 | L | A | -0.7757 | |
| 297 | T | A | -0.7688 | |
| 298 | D | A | -1.7141 | |
| 299 | P | A | -1.8400 | |
| 300 | E | A | -2.9290 | |
| 301 | A | A | 0.0000 | |
| 302 | A | A | -1.5423 | |
| 303 | K | A | -2.2659 | |
| 304 | Y | A | -1.1749 | |
| 305 | V | A | 0.0000 | |
| 306 | H | A | -1.0167 | |
| 307 | G | A | 0.0000 | |
| 308 | I | A | 0.0000 | |
| 309 | A | A | 0.0000 | |
| 310 | V | A | 0.0000 | |
| 311 | H | A | 0.0000 | |
| 312 | W | A | 0.3528 | |
| 313 | Y | A | 0.6834 | |
| 314 | L | A | 1.3890 | |
| 315 | D | A | 0.8417 | |
| 316 | F | A | 2.4670 | |
| 317 | L | A | 2.3956 | |
| 318 | A | A | 0.0000 | |
| 319 | P | A | -0.0917 | |
| 320 | A | A | 0.0000 | |
| 321 | K | A | -1.7937 | |
| 322 | A | A | -0.9885 | |
| 323 | T | A | 0.0000 | |
| 324 | L | A | 0.0000 | |
| 325 | G | A | -1.3926 | |
| 326 | E | A | -1.4438 | |
| 327 | T | A | 0.0000 | |
| 328 | H | A | -1.5365 | |
| 329 | R | A | -2.0448 | |
| 330 | L | A | -0.7804 | |
| 331 | F | A | -0.8066 | |
| 332 | P | A | -1.3369 | |
| 333 | N | A | -1.5344 | |
| 334 | T | A | 0.0000 | |
| 335 | M | A | -0.6195 | |
| 336 | L | A | 0.0000 | |
| 337 | F | A | 0.0000 | |
| 338 | A | A | 0.0000 | |
| 339 | S | A | 0.0000 | |
| 340 | E | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | C | A | 0.0000 | |
| 343 | V | A | 0.0000 | |
| 344 | G | A | 0.0000 | |
| 345 | S | A | -0.0612 | |
| 346 | K | A | -0.0598 | |
| 347 | F | A | 1.4178 | |
| 348 | W | A | 0.4119 | |
| 349 | E | A | -0.8577 | |
| 350 | Q | A | -1.6087 | |
| 351 | S | A | -0.9903 | |
| 352 | V | A | -1.0305 | |
| 353 | R | A | -1.2829 | |
| 354 | L | A | -0.0902 | |
| 355 | G | A | 0.0000 | |
| 356 | S | A | 0.0000 | |
| 357 | W | A | 0.0000 | |
| 358 | D | A | -2.0811 | |
| 359 | R | A | 0.0000 | |
| 360 | G | A | 0.0000 | |
| 361 | M | A | -1.1134 | |
| 362 | Q | A | -1.1902 | |
| 363 | Y | A | 0.0000 | |
| 364 | S | A | 0.0000 | |
| 365 | H | A | -0.7712 | |
| 366 | S | A | -0.4040 | |
| 367 | I | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | T | A | -0.1086 | |
| 370 | N | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | L | A | 0.5734 | |
| 373 | Y | A | 0.0637 | |
| 374 | H | A | -0.2781 | |
| 375 | V | A | 0.0000 | |
| 376 | V | A | 0.0000 | |
| 377 | G | A | 0.0000 | |
| 378 | W | A | 0.0000 | |
| 379 | T | A | 0.0000 | |
| 380 | D | A | 0.0000 | |
| 381 | W | A | 0.0000 | |
| 382 | N | A | 0.0000 | |
| 383 | L | A | 0.0000 | |
| 384 | A | A | 0.0000 | |
| 385 | L | A | 0.0000 | |
| 386 | N | A | -0.6856 | |
| 387 | P | A | -1.0893 | |
| 388 | E | A | -2.3083 | |
| 389 | G | A | 0.0000 | |
| 390 | G | A | 0.0000 | |
| 391 | P | A | -0.4029 | |
| 392 | N | A | 0.0000 | |
| 393 | W | A | 0.0507 | |
| 394 | V | A | 0.0000 | |
| 395 | R | A | -1.6741 | |
| 396 | N | A | -0.3964 | |
| 397 | F | A | -0.7212 | |
| 398 | V | A | 0.0000 | |
| 399 | D | A | 0.0000 | |
| 400 | S | A | 0.0000 | |
| 401 | P | A | 0.0000 | |
| 402 | I | A | 0.0000 | |
| 403 | I | A | 0.0000 | |
| 404 | V | A | 0.0000 | |
| 405 | D | A | -0.7395 | |
| 406 | I | A | 0.1357 | |
| 407 | T | A | -0.6341 | |
| 408 | K | A | -1.6972 | |
| 409 | D | A | -1.2036 | |
| 410 | T | A | 0.0000 | |
| 411 | F | A | 0.0000 | |
| 412 | Y | A | 0.0000 | |
| 413 | K | A | 0.0000 | |
| 414 | Q | A | 0.0000 | |
| 415 | P | A | 0.0000 | |
| 416 | M | A | 0.0000 | |
| 417 | F | A | 0.0000 | |
| 418 | Y | A | 0.0000 | |
| 419 | H | A | 0.0000 | |
| 420 | L | A | 0.0000 | |
| 421 | G | A | 0.0000 | |
| 422 | H | A | 0.0000 | |
| 423 | F | A | 0.0000 | |
| 424 | S | A | 0.0000 | |
| 425 | K | A | 0.0000 | |
| 426 | F | A | 0.0000 | |
| 427 | I | A | 0.0000 | |
| 428 | P | A | -0.7507 | |
| 429 | E | A | -1.2481 | |
| 430 | G | A | -1.4076 | |
| 431 | S | A | 0.0000 | |
| 432 | Q | A | -1.4618 | |
| 433 | R | A | 0.0000 | |
| 434 | V | A | 0.0000 | |
| 435 | G | A | 0.0000 | |
| 436 | L | A | 0.6775 | |
| 437 | V | A | 1.2818 | |
| 438 | A | A | -0.0365 | |
| 439 | S | A | -0.8146 | |
| 440 | Q | A | -2.0147 | |
| 441 | K | A | -2.7899 | |
| 442 | N | A | -2.2552 | |
| 443 | D | A | -2.6442 | |
| 444 | L | A | 0.0000 | |
| 445 | D | A | -0.9306 | |
| 446 | A | A | -0.0624 | |
| 447 | V | A | 0.0000 | |
| 448 | A | A | 0.0000 | |
| 449 | L | A | 0.0000 | |
| 450 | M | A | 0.0000 | |
| 451 | H | A | -1.3613 | |
| 452 | P | A | -1.6016 | |
| 453 | D | A | -2.3409 | |
| 454 | G | A | -1.6373 | |
| 455 | S | A | -1.2393 | |
| 456 | A | A | 0.0000 | |
| 457 | V | A | 0.0000 | |
| 458 | V | A | 0.0000 | |
| 459 | V | A | 0.0000 | |
| 460 | V | A | 0.0000 | |
| 461 | L | A | 0.0000 | |
| 462 | N | A | 0.0000 | |
| 463 | R | A | -1.8124 | |
| 464 | S | A | -1.7082 | |
| 465 | S | A | -1.5747 | |
| 466 | K | A | -2.9417 | |
| 467 | D | A | -2.2918 | |
| 468 | V | A | -1.2165 | |
| 469 | P | A | -0.4842 | |
| 470 | L | A | 0.0000 | |
| 471 | T | A | 0.0000 | |
| 472 | I | A | 0.0000 | |
| 473 | K | A | -0.6752 | |
| 474 | D | A | 0.0000 | |
| 475 | P | A | -0.3487 | |
| 476 | A | A | -0.2076 | |
| 477 | V | A | -0.1591 | |
| 478 | G | A | -0.7686 | |
| 479 | F | A | -0.9383 | |
| 480 | L | A | 0.0000 | |
| 481 | E | A | -1.0758 | |
| 482 | T | A | -0.0039 | |
| 483 | I | A | 0.4874 | |
| 484 | S | A | 0.0000 | |
| 485 | P | A | -1.0909 | |
| 486 | G | A | -1.5506 | |
| 487 | Y | A | -1.1339 | |
| 488 | S | A | 0.0000 | |
| 489 | I | A | 0.0000 | |
| 490 | H | A | 0.0000 | |
| 491 | T | A | 0.0000 | |
| 492 | Y | A | 0.0000 | |
| 493 | L | A | 0.2123 | |
| 494 | W | A | 0.0000 | |
| 495 | R | A | -0.9606 | |
| 496 | R | A | -1.2001 | |
| 497 | Q | A | -1.5261 | |
| 1 | A | B | -1.3777 | |
| 2 | R | B | -1.5853 | |
| 3 | P | B | -1.0133 | |
| 4 | C | B | -0.4206 | |
| 5 | I | B | 0.6089 | |
| 6 | P | B | -0.2816 | |
| 7 | K | B | -0.5826 | |
| 8 | S | B | -0.3021 | |
| 9 | F | B | 0.0549 | |
| 10 | G | B | 0.0141 | |
| 11 | Y | B | 0.0824 | |
| 12 | S | B | -0.4965 | |
| 13 | S | B | 0.0000 | |
| 14 | V | B | -0.2663 | |
| 15 | V | B | 0.0000 | |
| 16 | C | B | 0.0000 | |
| 17 | V | B | 0.2056 | |
| 18 | C | B | 0.0000 | |
| 19 | N | B | -0.8172 | |
| 20 | A | B | -0.6186 | |
| 21 | T | B | -0.1054 | |
| 22 | Y | B | -0.0640 | |
| 23 | C | B | 0.0000 | |
| 24 | D | B | -0.5651 | |
| 25 | S | B | -1.3457 | |
| 26 | F | B | -1.6909 | |
| 27 | D | B | -2.4358 | |
| 28 | P | B | -1.4391 | |
| 29 | P | B | -0.6975 | |
| 30 | T | B | 0.4076 | |
| 31 | F | B | 1.8684 | |
| 32 | P | B | 1.0971 | |
| 33 | A | B | 0.6212 | |
| 34 | L | B | 0.7118 | |
| 35 | G | B | -0.0932 | |
| 36 | T | B | 0.2980 | |
| 37 | F | B | 0.0000 | |
| 38 | S | B | 0.0000 | |
| 39 | R | B | -0.0244 | |
| 40 | Y | B | -0.3549 | |
| 41 | E | B | -0.9412 | |
| 42 | S | B | 0.0000 | |
| 43 | T | B | -1.2450 | |
| 44 | R | B | -1.4019 | |
| 45 | S | B | -1.0292 | |
| 46 | G | B | -1.2915 | |
| 47 | R | B | -2.3198 | |
| 48 | R | B | -1.5524 | |
| 49 | M | B | 0.0000 | |
| 50 | E | B | -1.5679 | |
| 51 | L | B | 0.0095 | |
| 52 | S | B | 0.2273 | |
| 53 | M | B | 0.7478 | |
| 54 | G | B | -0.1689 | |
| 55 | P | B | -0.3924 | |
| 56 | I | B | -0.5286 | |
| 57 | Q | B | -1.5344 | |
| 58 | A | B | -1.0450 | |
| 59 | N | B | -1.6617 | |
| 60 | H | B | -1.3445 | |
| 61 | T | B | -0.7844 | |
| 62 | G | B | -0.6912 | |
| 63 | T | B | -0.6376 | |
| 64 | G | B | -0.7335 | |
| 65 | L | B | -0.6791 | |
| 66 | L | B | -0.1448 | |
| 67 | L | B | 0.0000 | |
| 68 | T | B | 0.3026 | |
| 69 | L | B | 0.0000 | |
| 70 | Q | B | -1.1656 | |
| 71 | P | B | 0.0000 | |
| 72 | E | B | -2.7212 | |
| 73 | Q | B | -2.3847 | |
| 74 | K | B | -2.6416 | |
| 75 | F | B | -0.9773 | |
| 76 | Q | B | -1.0572 | |
| 77 | K | B | -2.2088 | |
| 78 | V | B | 0.0000 | |
| 79 | K | B | -0.9526 | |
| 80 | G | B | 0.0000 | |
| 81 | F | B | 0.0000 | |
| 82 | G | B | 0.0000 | |
| 83 | G | B | 0.0000 | |
| 84 | A | B | 0.0000 | |
| 85 | M | B | 0.0000 | |
| 86 | T | B | 0.0000 | |
| 87 | D | B | 0.0000 | |
| 88 | A | B | 0.0000 | |
| 89 | A | B | 0.0000 | |
| 90 | A | B | 0.0000 | |
| 91 | L | B | 0.3684 | |
| 92 | N | B | 0.0000 | |
| 93 | I | B | 0.0000 | |
| 94 | L | B | 0.4653 | |
| 95 | A | B | 0.0865 | |
| 96 | L | B | 0.0000 | |
| 97 | S | B | -0.6351 | |
| 98 | P | B | -0.4502 | |
| 99 | P | B | -0.5448 | |
| 100 | A | B | 0.0000 | |
| 101 | Q | B | 0.0000 | |
| 102 | N | B | -0.7814 | |
| 103 | L | B | -0.4612 | |
| 104 | L | B | 0.0000 | |
| 105 | L | B | 0.0000 | |
| 106 | K | B | -1.1939 | |
| 107 | S | B | 0.0000 | |
| 108 | Y | B | 0.0000 | |
| 109 | F | B | 0.0000 | |
| 110 | S | B | 0.0000 | |
| 111 | E | B | -2.1077 | |
| 112 | E | B | -2.2570 | |
| 113 | G | B | 0.0000 | |
| 114 | I | B | 0.0000 | |
| 115 | G | B | 0.0000 | |
| 116 | Y | B | 0.0000 | |
| 117 | N | B | 0.0000 | |
| 118 | I | B | 0.0000 | |
| 119 | I | B | 0.0000 | |
| 120 | R | B | 0.0000 | |
| 121 | V | B | 0.0000 | |
| 122 | P | B | 0.0000 | |
| 123 | M | B | 0.0000 | |
| 124 | A | B | 0.0000 | |
| 125 | S | B | 0.0000 | |
| 126 | C | B | 0.0000 | |
| 127 | D | B | 0.0000 | |
| 128 | F | B | 0.0000 | |
| 129 | S | B | 0.0000 | |
| 130 | I | B | 0.4561 | |
| 131 | R | B | 0.0628 | |
| 132 | T | B | -0.1710 | |
| 133 | Y | B | 0.0000 | |
| 134 | T | B | 0.0000 | |
| 135 | Y | B | 0.0000 | |
| 136 | A | B | 0.0000 | |
| 137 | D | B | -2.3521 | |
| 138 | T | B | -1.8735 | |
| 139 | P | B | -1.7996 | |
| 140 | D | B | -2.3141 | |
| 141 | D | B | -2.1596 | |
| 142 | F | B | -1.1084 | |
| 143 | Q | B | -1.8333 | |
| 144 | L | B | 0.0000 | |
| 145 | H | B | -1.9938 | |
| 146 | N | B | -2.2077 | |
| 147 | F | B | -1.3299 | |
| 148 | S | B | -0.8388 | |
| 149 | L | B | -0.3564 | |
| 150 | P | B | -0.4595 | |
| 151 | E | B | -1.2730 | |
| 152 | E | B | 0.0000 | |
| 153 | D | B | 0.0000 | |
| 154 | T | B | -0.7826 | |
| 155 | K | B | -1.4038 | |
| 156 | L | B | -0.3470 | |
| 157 | K | B | 0.0000 | |
| 158 | I | B | 0.0000 | |
| 159 | P | B | -0.6268 | |
| 160 | L | B | 0.0000 | |
| 161 | I | B | 0.0000 | |
| 162 | H | B | -1.0892 | |
| 163 | R | B | -1.0927 | |
| 164 | A | B | 0.0000 | |
| 165 | L | B | -0.5137 | |
| 166 | Q | B | -1.3740 | |
| 167 | L | B | -1.1476 | |
| 168 | A | B | -1.2388 | |
| 169 | Q | B | -1.7966 | |
| 170 | R | B | -1.2390 | |
| 171 | P | B | -0.7649 | |
| 172 | V | B | -0.2249 | |
| 173 | S | B | -0.1168 | |
| 174 | L | B | 0.0000 | |
| 175 | L | B | 0.0000 | |
| 176 | A | B | 0.0000 | |
| 177 | S | B | 0.0000 | |
| 178 | P | B | 0.0000 | |
| 179 | W | B | 0.0000 | |
| 180 | T | B | 0.0000 | |
| 181 | S | B | 0.0000 | |
| 182 | P | B | 0.0000 | |
| 183 | T | B | -0.9360 | |
| 184 | W | B | -1.0131 | |
| 185 | L | B | 0.0000 | |
| 186 | K | B | 0.0000 | |
| 187 | T | B | -1.0440 | |
| 188 | N | B | -1.3379 | |
| 189 | G | B | -1.0732 | |
| 190 | A | B | -1.0470 | |
| 191 | V | B | 0.0000 | |
| 192 | N | B | -0.7782 | |
| 193 | G | B | -1.1977 | |
| 194 | K | B | -1.7900 | |
| 195 | G | B | 0.0000 | |
| 196 | S | B | -0.8509 | |
| 197 | L | B | 0.0000 | |
| 198 | K | B | -1.1640 | |
| 199 | G | B | -1.2848 | |
| 200 | Q | B | -1.9071 | |
| 201 | P | B | -1.6414 | |
| 202 | G | B | -1.3760 | |
| 203 | D | B | -0.7415 | |
| 204 | I | B | 0.6807 | |
| 205 | Y | B | -0.0704 | |
| 206 | H | B | 0.0000 | |
| 207 | Q | B | -0.6320 | |
| 208 | T | B | 0.0000 | |
| 209 | W | B | 0.0000 | |
| 210 | A | B | 0.0000 | |
| 211 | R | B | -0.7506 | |
| 212 | Y | B | 0.0000 | |
| 213 | F | B | 0.0000 | |
| 214 | V | B | -0.7173 | |
| 215 | K | B | -0.8653 | |
| 216 | F | B | 0.0000 | |
| 217 | L | B | 0.0000 | |
| 218 | D | B | -2.0439 | |
| 219 | A | B | -1.6147 | |
| 220 | Y | B | 0.0000 | |
| 221 | A | B | -2.4231 | |
| 222 | E | B | -2.9470 | |
| 223 | H | B | -2.4060 | |
| 224 | K | B | -2.8981 | |
| 225 | L | B | 0.0000 | |
| 226 | Q | B | -1.9367 | |
| 227 | F | B | 0.0000 | |
| 228 | W | B | -0.4902 | |
| 229 | A | B | 0.0000 | |
| 230 | V | B | 0.0000 | |
| 231 | T | B | 0.0000 | |
| 232 | A | B | 0.0000 | |
| 233 | E | B | 0.0000 | |
| 234 | N | B | 0.0000 | |
| 235 | E | B | -0.1591 | |
| 236 | P | B | 0.0000 | |
| 237 | S | B | 0.0088 | |
| 238 | A | B | 0.0000 | |
| 239 | G | B | 0.0000 | |
| 240 | L | B | 0.0385 | |
| 241 | L | B | -0.1951 | |
| 242 | S | B | -0.8615 | |
| 243 | G | B | -1.2426 | |
| 244 | Y | B | 0.0000 | |
| 245 | P | B | -0.7589 | |
| 246 | F | B | -0.1005 | |
| 247 | Q | B | 0.0000 | |
| 248 | C | B | 0.0000 | |
| 249 | L | B | 0.0000 | |
| 250 | G | B | 0.0000 | |
| 251 | F | B | 0.0000 | |
| 252 | T | B | -0.5623 | |
| 253 | P | B | -1.1291 | |
| 254 | E | B | -1.8331 | |
| 255 | H | B | -1.3489 | |
| 256 | Q | B | 0.0000 | |
| 257 | R | B | -1.6573 | |
| 258 | D | B | -2.0828 | |
| 259 | F | B | 0.0000 | |
| 260 | I | B | 0.0000 | |
| 261 | A | B | 0.0000 | |
| 262 | R | B | -2.5579 | |
| 263 | D | B | 0.0000 | |
| 264 | L | B | 0.0000 | |
| 265 | G | B | 0.0000 | |
| 266 | P | B | -1.0298 | |
| 267 | T | B | -1.0094 | |
| 268 | L | B | 0.0000 | |
| 269 | A | B | -1.2044 | |
| 270 | N | B | -1.5296 | |
| 271 | S | B | -1.2934 | |
| 272 | T | B | -0.9989 | |
| 273 | H | B | -1.5419 | |
| 274 | H | B | -2.0043 | |
| 275 | N | B | -1.8928 | |
| 276 | V | B | -1.3550 | |
| 277 | R | B | -1.3253 | |
| 278 | L | B | 0.0000 | |
| 279 | L | B | 0.0000 | |
| 280 | M | B | 0.0000 | |
| 281 | L | B | 0.0000 | |
| 282 | D | B | 0.0000 | |
| 283 | D | B | 0.0000 | |
| 284 | Q | B | 0.2346 | |
| 285 | R | B | 0.1872 | |
| 286 | L | B | 1.0392 | |
| 287 | L | B | 0.3679 | |
| 288 | L | B | 0.0000 | |
| 289 | P | B | -0.8251 | |
| 290 | H | B | -1.0539 | |
| 291 | W | B | 0.0000 | |
| 292 | A | B | 0.0000 | |
| 293 | K | B | -0.9952 | |
| 294 | V | B | -0.9483 | |
| 295 | V | B | 0.0000 | |
| 296 | L | B | -0.6937 | |
| 297 | T | B | -0.6046 | |
| 298 | D | B | -1.4428 | |
| 299 | P | B | -1.3741 | |
| 300 | E | B | -1.9828 | |
| 301 | A | B | 0.0000 | |
| 302 | A | B | -1.2529 | |
| 303 | K | B | -1.9849 | |
| 304 | Y | B | -1.0531 | |
| 305 | V | B | 0.0000 | |
| 306 | H | B | -1.0094 | |
| 307 | G | B | 0.0000 | |
| 308 | I | B | 0.0000 | |
| 309 | A | B | 0.0000 | |
| 310 | V | B | 0.0000 | |
| 311 | H | B | 0.0000 | |
| 312 | W | B | 0.2689 | |
| 313 | Y | B | 0.5168 | |
| 314 | L | B | 1.0652 | |
| 315 | D | B | 0.5916 | |
| 316 | F | B | 1.9740 | |
| 317 | L | B | 2.0410 | |
| 318 | A | B | 0.0000 | |
| 319 | P | B | -0.1997 | |
| 320 | A | B | 0.0000 | |
| 321 | K | B | -1.8965 | |
| 322 | A | B | -1.0565 | |
| 323 | T | B | 0.0000 | |
| 324 | L | B | 0.0000 | |
| 325 | G | B | -1.5570 | |
| 326 | E | B | -1.8052 | |
| 327 | T | B | 0.0000 | |
| 328 | H | B | -1.6122 | |
| 329 | R | B | -2.1177 | |
| 330 | L | B | -0.7575 | |
| 331 | F | B | -0.7959 | |
| 332 | P | B | -1.3343 | |
| 333 | N | B | -1.5178 | |
| 334 | T | B | 0.0000 | |
| 335 | M | B | -0.6193 | |
| 336 | L | B | 0.0000 | |
| 337 | F | B | 0.0000 | |
| 338 | A | B | 0.0000 | |
| 339 | S | B | 0.0000 | |
| 340 | E | B | 0.0000 | |
| 341 | A | B | 0.0000 | |
| 342 | C | B | 0.0000 | |
| 343 | V | B | 0.0000 | |
| 344 | G | B | -0.5541 | |
| 345 | S | B | -0.1774 | |
| 346 | K | B | -0.2475 | |
| 347 | F | B | 0.3669 | |
| 348 | W | B | -0.4172 | |
| 349 | E | B | -1.1719 | |
| 350 | Q | B | -1.1830 | |
| 351 | S | B | -0.8688 | |
| 352 | V | B | -0.8222 | |
| 353 | R | B | -1.0360 | |
| 354 | L | B | -0.1349 | |
| 355 | G | B | 0.0000 | |
| 356 | S | B | 0.0000 | |
| 357 | W | B | 0.0000 | |
| 358 | D | B | -2.0016 | |
| 359 | R | B | 0.0000 | |
| 360 | G | B | 0.0000 | |
| 361 | M | B | -1.0588 | |
| 362 | Q | B | -1.1181 | |
| 363 | Y | B | 0.0000 | |
| 364 | S | B | 0.0000 | |
| 365 | H | B | -0.7338 | |
| 366 | S | B | -0.4158 | |
| 367 | I | B | 0.0000 | |
| 368 | I | B | 0.0000 | |
| 369 | T | B | -0.1321 | |
| 370 | N | B | 0.0000 | |
| 371 | L | B | 0.0000 | |
| 372 | L | B | 0.5278 | |
| 373 | Y | B | 0.0125 | |
| 374 | H | B | -0.2659 | |
| 375 | V | B | 0.0000 | |
| 376 | V | B | 0.0000 | |
| 377 | G | B | 0.0000 | |
| 378 | W | B | 0.0000 | |
| 379 | T | B | 0.0000 | |
| 380 | D | B | 0.0000 | |
| 381 | W | B | 0.0000 | |
| 382 | N | B | 0.0000 | |
| 383 | L | B | 0.0000 | |
| 384 | A | B | 0.0000 | |
| 385 | L | B | 0.0000 | |
| 386 | N | B | -0.7275 | |
| 387 | P | B | -0.9780 | |
| 388 | E | B | -1.8708 | |
| 389 | G | B | 0.0000 | |
| 390 | G | B | 0.0000 | |
| 391 | P | B | -0.3493 | |
| 392 | N | B | 0.0000 | |
| 393 | W | B | -0.0970 | |
| 394 | V | B | -0.4134 | |
| 395 | R | B | -1.8061 | |
| 396 | N | B | -0.9198 | |
| 397 | F | B | -0.9190 | |
| 398 | V | B | 0.0000 | |
| 399 | D | B | 0.0000 | |
| 400 | S | B | 0.0000 | |
| 401 | P | B | 0.0000 | |
| 402 | I | B | 0.0000 | |
| 403 | I | B | 0.0000 | |
| 404 | V | B | 0.0000 | |
| 405 | D | B | -1.0009 | |
| 406 | I | B | -0.5203 | |
| 407 | T | B | -0.9739 | |
| 408 | K | B | -2.0262 | |
| 409 | D | B | -1.4350 | |
| 410 | T | B | 0.0000 | |
| 411 | F | B | 0.0000 | |
| 412 | Y | B | 0.0000 | |
| 413 | K | B | 0.0000 | |
| 414 | Q | B | 0.0000 | |
| 415 | P | B | 0.0000 | |
| 416 | M | B | 0.0000 | |
| 417 | F | B | 0.0000 | |
| 418 | Y | B | 0.0000 | |
| 419 | H | B | 0.0000 | |
| 420 | L | B | 0.0000 | |
| 421 | G | B | 0.0000 | |
| 422 | H | B | 0.0000 | |
| 423 | F | B | 0.0000 | |
| 424 | S | B | 0.0000 | |
| 425 | K | B | -0.4821 | |
| 426 | F | B | 0.0000 | |
| 427 | I | B | 0.0000 | |
| 428 | P | B | -0.8346 | |
| 429 | E | B | -1.3319 | |
| 430 | G | B | -1.4261 | |
| 431 | S | B | 0.0000 | |
| 432 | Q | B | -1.4686 | |
| 433 | R | B | 0.0000 | |
| 434 | V | B | 0.0000 | |
| 435 | G | B | 0.0000 | |
| 436 | L | B | 0.6968 | |
| 437 | V | B | 1.1128 | |
| 438 | A | B | -0.0609 | |
| 439 | S | B | -0.7352 | |
| 440 | Q | B | -1.9685 | |
| 441 | K | B | -2.7590 | |
| 442 | N | B | -2.2455 | |
| 443 | D | B | -2.6399 | |
| 444 | L | B | 0.0000 | |
| 445 | D | B | -0.8453 | |
| 446 | A | B | -0.0874 | |
| 447 | V | B | 0.0000 | |
| 448 | A | B | 0.0000 | |
| 449 | L | B | 0.0000 | |
| 450 | M | B | 0.0000 | |
| 451 | H | B | -1.3085 | |
| 452 | P | B | -1.5972 | |
| 453 | D | B | -2.2732 | |
| 454 | G | B | -1.5484 | |
| 455 | S | B | 0.0000 | |
| 456 | A | B | 0.0000 | |
| 457 | V | B | 0.0000 | |
| 458 | V | B | 0.0000 | |
| 459 | V | B | 0.0000 | |
| 460 | V | B | 0.0000 | |
| 461 | L | B | 0.0000 | |
| 462 | N | B | 0.0000 | |
| 463 | R | B | -1.7155 | |
| 464 | S | B | -1.6408 | |
| 465 | S | B | -1.5237 | |
| 466 | K | B | -2.8417 | |
| 467 | D | B | -2.1595 | |
| 468 | V | B | -1.2030 | |
| 469 | P | B | -0.5280 | |
| 470 | L | B | 0.0000 | |
| 471 | T | B | 0.0000 | |
| 472 | I | B | 0.0000 | |
| 473 | K | B | -0.5352 | |
| 474 | D | B | 0.0000 | |
| 475 | P | B | -0.2899 | |
| 476 | A | B | -0.2473 | |
| 477 | V | B | -0.0874 | |
| 478 | G | B | -0.6694 | |
| 479 | F | B | -0.8062 | |
| 480 | L | B | 0.0000 | |
| 481 | E | B | -1.0792 | |
| 482 | T | B | -0.1150 | |
| 483 | I | B | 0.2847 | |
| 484 | S | B | 0.0000 | |
| 485 | P | B | -1.0642 | |
| 486 | G | B | -1.4880 | |
| 487 | Y | B | -1.0739 | |
| 488 | S | B | 0.0000 | |
| 489 | I | B | 0.0000 | |
| 490 | H | B | 0.0000 | |
| 491 | T | B | 0.0000 | |
| 492 | Y | B | 0.0000 | |
| 493 | L | B | 0.3052 | |
| 494 | W | B | 0.0000 | |
| 495 | R | B | -0.6747 | |
| 496 | R | B | -1.0682 | |
| 497 | Q | B | -1.4371 | |
| 1 | A | C | -1.3538 | |
| 2 | R | C | -1.6001 | |
| 3 | P | C | -0.9918 | |
| 4 | C | C | -0.3761 | |
| 5 | I | C | 0.4689 | |
| 6 | P | C | -0.3069 | |
| 7 | K | C | -0.7930 | |
| 8 | S | C | -0.3773 | |
| 9 | F | C | 0.0841 | |
| 10 | G | C | 0.0118 | |
| 11 | Y | C | 0.0364 | |
| 12 | S | C | -0.5264 | |
| 13 | S | C | 0.0000 | |
| 14 | V | C | -0.2364 | |
| 15 | V | C | 0.0000 | |
| 16 | C | C | 0.0000 | |
| 17 | V | C | 0.1341 | |
| 18 | C | C | 0.0000 | |
| 19 | N | C | -0.7848 | |
| 20 | A | C | -0.5962 | |
| 21 | T | C | -0.0935 | |
| 22 | Y | C | -0.0671 | |
| 23 | C | C | 0.0000 | |
| 24 | D | C | -0.5417 | |
| 25 | S | C | -1.2742 | |
| 26 | F | C | -1.6056 | |
| 27 | D | C | -2.3722 | |
| 28 | P | C | -1.3911 | |
| 29 | P | C | -0.6764 | |
| 30 | T | C | 0.3812 | |
| 31 | F | C | 1.8363 | |
| 32 | P | C | 1.1372 | |
| 33 | A | C | 0.9791 | |
| 34 | L | C | 1.3313 | |
| 35 | G | C | 0.1999 | |
| 36 | T | C | 0.3399 | |
| 37 | F | C | 0.0000 | |
| 38 | S | C | 0.0000 | |
| 39 | R | C | -0.0209 | |
| 40 | Y | C | -0.2654 | |
| 41 | E | C | -0.7991 | |
| 42 | S | C | 0.0000 | |
| 43 | T | C | 0.0000 | |
| 44 | R | C | -1.2137 | |
| 45 | S | C | -0.7973 | |
| 46 | G | C | -0.8730 | |
| 47 | R | C | -1.4806 | |
| 48 | R | C | 0.0000 | |
| 49 | M | C | 0.0000 | |
| 50 | E | C | -1.5487 | |
| 51 | L | C | 0.2455 | |
| 52 | S | C | 0.2636 | |
| 53 | M | C | 0.7671 | |
| 54 | G | C | -0.2039 | |
| 55 | P | C | -0.3825 | |
| 56 | I | C | -0.5700 | |
| 57 | Q | C | -1.7480 | |
| 58 | A | C | -1.1603 | |
| 59 | N | C | -1.7450 | |
| 60 | H | C | -1.4098 | |
| 61 | T | C | -0.7861 | |
| 62 | G | C | -0.6881 | |
| 63 | T | C | -0.6320 | |
| 64 | G | C | -0.7250 | |
| 65 | L | C | -0.6556 | |
| 66 | L | C | -0.1488 | |
| 67 | L | C | 0.0000 | |
| 68 | T | C | 0.2251 | |
| 69 | L | C | 0.0000 | |
| 70 | Q | C | -1.3460 | |
| 71 | P | C | -1.8418 | |
| 72 | E | C | -2.8986 | |
| 73 | Q | C | -2.7165 | |
| 74 | K | C | -2.8247 | |
| 75 | F | C | -1.0703 | |
| 76 | Q | C | -1.0833 | |
| 77 | K | C | -2.3271 | |
| 78 | V | C | 0.0000 | |
| 79 | K | C | -1.2598 | |
| 80 | G | C | 0.0000 | |
| 81 | F | C | 0.0000 | |
| 82 | G | C | 0.0000 | |
| 83 | G | C | 0.0000 | |
| 84 | A | C | 0.0000 | |
| 85 | M | C | 0.0000 | |
| 86 | T | C | 0.0000 | |
| 87 | D | C | 0.0000 | |
| 88 | A | C | 0.0000 | |
| 89 | A | C | 0.0000 | |
| 90 | A | C | 0.0000 | |
| 91 | L | C | 0.3549 | |
| 92 | N | C | 0.0000 | |
| 93 | I | C | 0.0000 | |
| 94 | L | C | 0.4547 | |
| 95 | A | C | 0.1211 | |
| 96 | L | C | 0.0000 | |
| 97 | S | C | -0.6462 | |
| 98 | P | C | -0.4430 | |
| 99 | P | C | -0.5290 | |
| 100 | A | C | 0.0000 | |
| 101 | Q | C | 0.0000 | |
| 102 | N | C | -0.7538 | |
| 103 | L | C | -0.4068 | |
| 104 | L | C | 0.0000 | |
| 105 | L | C | 0.0000 | |
| 106 | K | C | -1.0994 | |
| 107 | S | C | 0.0000 | |
| 108 | Y | C | 0.0000 | |
| 109 | F | C | 0.0000 | |
| 110 | S | C | 0.0000 | |
| 111 | E | C | -1.9562 | |
| 112 | E | C | -2.0186 | |
| 113 | G | C | 0.0000 | |
| 114 | I | C | 0.0000 | |
| 115 | G | C | 0.0000 | |
| 116 | Y | C | 0.0000 | |
| 117 | N | C | 0.0000 | |
| 118 | I | C | 0.0000 | |
| 119 | I | C | 0.0000 | |
| 120 | R | C | 0.0000 | |
| 121 | V | C | 0.0000 | |
| 122 | P | C | 0.0000 | |
| 123 | M | C | 0.0000 | |
| 124 | A | C | 0.0000 | |
| 125 | S | C | 0.0000 | |
| 126 | C | C | 0.0000 | |
| 127 | D | C | 0.0000 | |
| 128 | F | C | 0.0000 | |
| 129 | S | C | 0.0000 | |
| 130 | I | C | 0.5265 | |
| 131 | R | C | 0.0808 | |
| 132 | T | C | -0.1691 | |
| 133 | Y | C | 0.0000 | |
| 134 | T | C | 0.0000 | |
| 135 | Y | C | 0.0000 | |
| 136 | A | C | 0.0000 | |
| 137 | D | C | -2.3481 | |
| 138 | T | C | -1.8575 | |
| 139 | P | C | -1.7847 | |
| 140 | D | C | -2.2922 | |
| 141 | D | C | -2.1248 | |
| 142 | F | C | -1.0471 | |
| 143 | Q | C | -1.7985 | |
| 144 | L | C | 0.0000 | |
| 145 | H | C | -1.9978 | |
| 146 | N | C | -2.1975 | |
| 147 | F | C | -1.3579 | |
| 148 | S | C | -0.8748 | |
| 149 | L | C | -0.3960 | |
| 150 | P | C | -0.5500 | |
| 151 | E | C | -1.4463 | |
| 152 | E | C | 0.0000 | |
| 153 | D | C | 0.0000 | |
| 154 | T | C | -0.8464 | |
| 155 | K | C | -1.4270 | |
| 156 | L | C | -0.4102 | |
| 157 | K | C | 0.0000 | |
| 158 | I | C | 0.0000 | |
| 159 | P | C | -0.6274 | |
| 160 | L | C | 0.0000 | |
| 161 | I | C | 0.0000 | |
| 162 | H | C | -1.0742 | |
| 163 | R | C | -1.0694 | |
| 164 | A | C | 0.0000 | |
| 165 | L | C | -0.4861 | |
| 166 | Q | C | -1.3367 | |
| 167 | L | C | -1.0369 | |
| 168 | A | C | -1.1573 | |
| 169 | Q | C | -1.7275 | |
| 170 | R | C | -1.2345 | |
| 171 | P | C | -0.7924 | |
| 172 | V | C | -0.2550 | |
| 173 | S | C | -0.1417 | |
| 174 | L | C | 0.0000 | |
| 175 | L | C | 0.0000 | |
| 176 | A | C | 0.0000 | |
| 177 | S | C | 0.0000 | |
| 178 | P | C | 0.0000 | |
| 179 | W | C | 0.0000 | |
| 180 | T | C | 0.0000 | |
| 181 | S | C | 0.0000 | |
| 182 | P | C | 0.0000 | |
| 183 | T | C | -0.9717 | |
| 184 | W | C | -1.0507 | |
| 185 | L | C | 0.0000 | |
| 186 | K | C | 0.0000 | |
| 187 | T | C | -1.1966 | |
| 188 | N | C | -1.3882 | |
| 189 | G | C | -1.1024 | |
| 190 | A | C | -1.0466 | |
| 191 | V | C | 0.0000 | |
| 192 | N | C | -0.7915 | |
| 193 | G | C | -1.2100 | |
| 194 | K | C | -1.8157 | |
| 195 | G | C | 0.0000 | |
| 196 | S | C | -0.9838 | |
| 197 | L | C | 0.0000 | |
| 198 | K | C | -1.6070 | |
| 199 | G | C | -1.4872 | |
| 200 | Q | C | -1.9449 | |
| 201 | P | C | -1.6285 | |
| 202 | G | C | -1.2483 | |
| 203 | D | C | -0.7545 | |
| 204 | I | C | 0.6721 | |
| 205 | Y | C | -0.1664 | |
| 206 | H | C | 0.0000 | |
| 207 | Q | C | -0.4596 | |
| 208 | T | C | 0.0000 | |
| 209 | W | C | 0.0000 | |
| 210 | A | C | 0.0000 | |
| 211 | R | C | -0.7760 | |
| 212 | Y | C | 0.0000 | |
| 213 | F | C | 0.0000 | |
| 214 | V | C | -0.6628 | |
| 215 | K | C | -0.8445 | |
| 216 | F | C | 0.0000 | |
| 217 | L | C | 0.0000 | |
| 218 | D | C | -1.5831 | |
| 219 | A | C | -1.4103 | |
| 220 | Y | C | 0.0000 | |
| 221 | A | C | -2.2396 | |
| 222 | E | C | -2.8142 | |
| 223 | H | C | -2.3410 | |
| 224 | K | C | -2.8407 | |
| 225 | L | C | 0.0000 | |
| 226 | Q | C | -1.8585 | |
| 227 | F | C | 0.0000 | |
| 228 | W | C | -0.4769 | |
| 229 | A | C | 0.0000 | |
| 230 | V | C | 0.0000 | |
| 231 | T | C | 0.0000 | |
| 232 | A | C | 0.0000 | |
| 233 | E | C | 0.0000 | |
| 234 | N | C | 0.0000 | |
| 235 | E | C | -0.1834 | |
| 236 | P | C | 0.0000 | |
| 237 | S | C | -0.0216 | |
| 238 | A | C | 0.0000 | |
| 239 | G | C | 0.0000 | |
| 240 | L | C | -0.0402 | |
| 241 | L | C | -0.2133 | |
| 242 | S | C | -0.8671 | |
| 243 | G | C | -1.2237 | |
| 244 | Y | C | 0.0000 | |
| 245 | P | C | -0.7258 | |
| 246 | F | C | -0.0782 | |
| 247 | Q | C | 0.0000 | |
| 248 | C | C | 0.0000 | |
| 249 | L | C | 0.0000 | |
| 250 | G | C | 0.0000 | |
| 251 | F | C | 0.0000 | |
| 252 | T | C | -0.4123 | |
| 253 | P | C | -0.8611 | |
| 254 | E | C | -1.3005 | |
| 255 | H | C | -1.0823 | |
| 256 | Q | C | 0.0000 | |
| 257 | R | C | -1.6088 | |
| 258 | D | C | -2.0756 | |
| 259 | F | C | 0.0000 | |
| 260 | I | C | 0.0000 | |
| 261 | A | C | -2.1795 | |
| 262 | R | C | -2.6693 | |
| 263 | D | C | 0.0000 | |
| 264 | L | C | 0.0000 | |
| 265 | G | C | 0.0000 | |
| 266 | P | C | -1.1368 | |
| 267 | T | C | -1.0027 | |
| 268 | L | C | 0.0000 | |
| 269 | A | C | -1.2792 | |
| 270 | N | C | -1.5198 | |
| 271 | S | C | -1.2127 | |
| 272 | T | C | -0.8861 | |
| 273 | H | C | 0.0000 | |
| 274 | H | C | -1.9673 | |
| 275 | N | C | -1.8603 | |
| 276 | V | C | -1.3239 | |
| 277 | R | C | -1.2962 | |
| 278 | L | C | 0.0000 | |
| 279 | L | C | 0.0000 | |
| 280 | M | C | 0.0000 | |
| 281 | L | C | 0.0000 | |
| 282 | D | C | 0.0000 | |
| 283 | D | C | 0.0000 | |
| 284 | Q | C | 0.2126 | |
| 285 | R | C | 0.1645 | |
| 286 | L | C | 1.0344 | |
| 287 | L | C | 0.3647 | |
| 288 | L | C | 0.0000 | |
| 289 | P | C | -0.7569 | |
| 290 | H | C | -1.0651 | |
| 291 | W | C | 0.0000 | |
| 292 | A | C | 0.0000 | |
| 293 | K | C | -0.9885 | |
| 294 | V | C | -0.8562 | |
| 295 | V | C | 0.0000 | |
| 296 | L | C | -0.7894 | |
| 297 | T | C | -0.7884 | |
| 298 | D | C | -1.8240 | |
| 299 | P | C | -1.9021 | |
| 300 | E | C | -2.9781 | |
| 301 | A | C | 0.0000 | |
| 302 | A | C | -1.5895 | |
| 303 | K | C | -2.2928 | |
| 304 | Y | C | -1.2719 | |
| 305 | V | C | 0.0000 | |
| 306 | H | C | -1.0216 | |
| 307 | G | C | 0.0000 | |
| 308 | I | C | 0.0000 | |
| 309 | A | C | 0.0000 | |
| 310 | V | C | 0.0000 | |
| 311 | H | C | 0.0000 | |
| 312 | W | C | 0.3102 | |
| 313 | Y | C | 0.5473 | |
| 314 | L | C | 1.1546 | |
| 315 | D | C | 0.6997 | |
| 316 | F | C | 2.2789 | |
| 317 | L | C | 2.0709 | |
| 318 | A | C | 0.0000 | |
| 319 | P | C | -0.1123 | |
| 320 | A | C | 0.0000 | |
| 321 | K | C | -1.9324 | |
| 322 | A | C | -0.9353 | |
| 323 | T | C | 0.0000 | |
| 324 | L | C | 0.0000 | |
| 325 | G | C | -1.3483 | |
| 326 | E | C | -1.4377 | |
| 327 | T | C | 0.0000 | |
| 328 | H | C | -1.5211 | |
| 329 | R | C | -2.2259 | |
| 330 | L | C | -0.7839 | |
| 331 | F | C | -0.7885 | |
| 332 | P | C | -1.3356 | |
| 333 | N | C | -1.5357 | |
| 334 | T | C | 0.0000 | |
| 335 | M | C | -0.6351 | |
| 336 | L | C | 0.0000 | |
| 337 | F | C | 0.0000 | |
| 338 | A | C | 0.0000 | |
| 339 | S | C | 0.0000 | |
| 340 | E | C | 0.0000 | |
| 341 | A | C | 0.0000 | |
| 342 | C | C | 0.0000 | |
| 343 | V | C | 0.0000 | |
| 344 | G | C | -0.5843 | |
| 345 | S | C | -0.2542 | |
| 346 | K | C | -0.3979 | |
| 347 | F | C | 0.3355 | |
| 348 | W | C | -0.4612 | |
| 349 | E | C | -1.2245 | |
| 350 | Q | C | -1.0613 | |
| 351 | S | C | -0.6882 | |
| 352 | V | C | -0.5722 | |
| 353 | R | C | -0.8318 | |
| 354 | L | C | -0.1024 | |
| 355 | G | C | 0.0000 | |
| 356 | S | C | 0.0000 | |
| 357 | W | C | 0.0000 | |
| 358 | D | C | -2.0487 | |
| 359 | R | C | 0.0000 | |
| 360 | G | C | 0.0000 | |
| 361 | M | C | -1.1099 | |
| 362 | Q | C | -1.1937 | |
| 363 | Y | C | 0.0000 | |
| 364 | S | C | 0.0000 | |
| 365 | H | C | -0.7671 | |
| 366 | S | C | -0.4074 | |
| 367 | I | C | 0.0000 | |
| 368 | I | C | 0.0000 | |
| 369 | T | C | -0.0765 | |
| 370 | N | C | 0.0000 | |
| 371 | L | C | 0.0000 | |
| 372 | L | C | 0.6004 | |
| 373 | Y | C | 0.1928 | |
| 374 | H | C | -0.2209 | |
| 375 | V | C | 0.0000 | |
| 376 | V | C | 0.0000 | |
| 377 | G | C | 0.0000 | |
| 378 | W | C | 0.0000 | |
| 379 | T | C | 0.0000 | |
| 380 | D | C | 0.0000 | |
| 381 | W | C | 0.0000 | |
| 382 | N | C | 0.0000 | |
| 383 | L | C | 0.0000 | |
| 384 | A | C | 0.0000 | |
| 385 | L | C | 0.0000 | |
| 386 | N | C | -0.5338 | |
| 387 | P | C | -0.6026 | |
| 388 | E | C | -1.0557 | |
| 389 | G | C | 0.0000 | |
| 390 | G | C | 0.0000 | |
| 391 | P | C | -0.2042 | |
| 392 | N | C | 0.0000 | |
| 393 | W | C | -0.0326 | |
| 394 | V | C | -0.3440 | |
| 395 | R | C | -1.6127 | |
| 396 | N | C | -0.8754 | |
| 397 | F | C | -0.6637 | |
| 398 | V | C | 0.0000 | |
| 399 | D | C | 0.0000 | |
| 400 | S | C | 0.0000 | |
| 401 | P | C | 0.0000 | |
| 402 | I | C | 0.0000 | |
| 403 | I | C | 0.0000 | |
| 404 | V | C | 0.0000 | |
| 405 | D | C | -0.9342 | |
| 406 | I | C | -0.5115 | |
| 407 | T | C | -0.9736 | |
| 408 | K | C | -2.0164 | |
| 409 | D | C | -1.4095 | |
| 410 | T | C | 0.0000 | |
| 411 | F | C | 0.0000 | |
| 412 | Y | C | 0.0000 | |
| 413 | K | C | 0.0000 | |
| 414 | Q | C | 0.0000 | |
| 415 | P | C | 0.0000 | |
| 416 | M | C | 0.0000 | |
| 417 | F | C | 0.0000 | |
| 418 | Y | C | 0.0000 | |
| 419 | H | C | 0.0000 | |
| 420 | L | C | 0.0000 | |
| 421 | G | C | 0.0000 | |
| 422 | H | C | 0.0000 | |
| 423 | F | C | 0.0000 | |
| 424 | S | C | 0.0000 | |
| 425 | K | C | -0.4497 | |
| 426 | F | C | 0.0000 | |
| 427 | I | C | 0.0000 | |
| 428 | P | C | -1.0281 | |
| 429 | E | C | -1.7344 | |
| 430 | G | C | -1.6377 | |
| 431 | S | C | 0.0000 | |
| 432 | Q | C | -1.5615 | |
| 433 | R | C | 0.0000 | |
| 434 | V | C | 0.0000 | |
| 435 | G | C | 0.0000 | |
| 436 | L | C | 0.5568 | |
| 437 | V | C | 1.0734 | |
| 438 | A | C | -0.0606 | |
| 439 | S | C | -0.7283 | |
| 440 | Q | C | -1.9547 | |
| 441 | K | C | -2.7418 | |
| 442 | N | C | -2.2098 | |
| 443 | D | C | -2.6407 | |
| 444 | L | C | 0.0000 | |
| 445 | D | C | -0.8511 | |
| 446 | A | C | -0.0866 | |
| 447 | V | C | 0.0000 | |
| 448 | A | C | 0.0000 | |
| 449 | L | C | 0.0000 | |
| 450 | M | C | 0.0000 | |
| 451 | H | C | -1.4021 | |
| 452 | P | C | -1.6670 | |
| 453 | D | C | -2.2492 | |
| 454 | G | C | -1.5502 | |
| 455 | S | C | 0.0000 | |
| 456 | A | C | 0.0000 | |
| 457 | V | C | 0.0000 | |
| 458 | V | C | 0.0000 | |
| 459 | V | C | 0.0000 | |
| 460 | V | C | 0.0000 | |
| 461 | L | C | 0.0000 | |
| 462 | N | C | 0.0000 | |
| 463 | R | C | -1.7887 | |
| 464 | S | C | -1.6532 | |
| 465 | S | C | -1.5040 | |
| 466 | K | C | -2.7958 | |
| 467 | D | C | -1.9841 | |
| 468 | V | C | -1.0862 | |
| 469 | P | C | -0.3912 | |
| 470 | L | C | 0.0000 | |
| 471 | T | C | 0.0000 | |
| 472 | I | C | 0.0000 | |
| 473 | K | C | -0.7221 | |
| 474 | D | C | 0.0000 | |
| 475 | P | C | -0.4184 | |
| 476 | A | C | -0.2614 | |
| 477 | V | C | -0.0769 | |
| 478 | G | C | -0.8534 | |
| 479 | F | C | -0.9735 | |
| 480 | L | C | 0.0000 | |
| 481 | E | C | -1.0977 | |
| 482 | T | C | -0.0029 | |
| 483 | I | C | 0.5668 | |
| 484 | S | C | 0.0000 | |
| 485 | P | C | -0.9439 | |
| 486 | G | C | -1.4273 | |
| 487 | Y | C | -1.0801 | |
| 488 | S | C | 0.0000 | |
| 489 | I | C | 0.0000 | |
| 490 | H | C | 0.0000 | |
| 491 | T | C | 0.0000 | |
| 492 | Y | C | 0.0000 | |
| 493 | L | C | 0.1834 | |
| 494 | W | C | 0.0000 | |
| 495 | R | C | -0.6462 | |
| 496 | R | C | -1.0027 | |
| 1 | A | D | -1.3518 | |
| 2 | R | D | -1.5531 | |
| 3 | P | D | -0.9520 | |
| 4 | C | D | -0.2602 | |
| 5 | I | D | 0.7095 | |
| 6 | P | D | -0.0069 | |
| 7 | K | D | -0.1484 | |
| 8 | S | D | -0.1470 | |
| 9 | F | D | 0.1188 | |
| 10 | G | D | -0.2665 | |
| 11 | Y | D | -0.1021 | |
| 12 | S | D | -0.6087 | |
| 13 | S | D | 0.0000 | |
| 14 | V | D | -0.0990 | |
| 15 | V | D | 0.0000 | |
| 16 | C | D | 0.0000 | |
| 17 | V | D | 0.2962 | |
| 18 | C | D | 0.0000 | |
| 19 | N | D | -0.8188 | |
| 20 | A | D | -0.6120 | |
| 21 | T | D | -0.1047 | |
| 22 | Y | D | -0.0562 | |
| 23 | C | D | 0.0000 | |
| 24 | D | D | -0.5243 | |
| 25 | S | D | -1.2316 | |
| 26 | F | D | -1.5287 | |
| 27 | D | D | -2.3114 | |
| 28 | P | D | -1.2828 | |
| 29 | P | D | -0.5539 | |
| 30 | T | D | 0.4026 | |
| 31 | F | D | 1.8636 | |
| 32 | P | D | 1.1079 | |
| 33 | A | D | 0.6906 | |
| 34 | L | D | 0.8578 | |
| 35 | G | D | -0.0072 | |
| 36 | T | D | 0.3247 | |
| 37 | F | D | 0.0000 | |
| 38 | S | D | 0.0000 | |
| 39 | R | D | -0.0093 | |
| 40 | Y | D | -0.2616 | |
| 41 | E | D | -0.8179 | |
| 42 | S | D | 0.0000 | |
| 43 | T | D | 0.0000 | |
| 44 | R | D | -1.2297 | |
| 45 | S | D | -0.8228 | |
| 46 | G | D | -0.8563 | |
| 47 | R | D | -1.6970 | |
| 48 | R | D | 0.0000 | |
| 49 | M | D | 0.0000 | |
| 50 | E | D | -1.5156 | |
| 51 | L | D | 0.3750 | |
| 52 | S | D | 0.2856 | |
| 53 | M | D | 0.7791 | |
| 54 | G | D | -0.1852 | |
| 55 | P | D | -0.4030 | |
| 56 | I | D | -0.5982 | |
| 57 | Q | D | -1.7183 | |
| 58 | A | D | -1.0971 | |
| 59 | N | D | -1.7322 | |
| 60 | H | D | -1.3927 | |
| 61 | T | D | -0.7855 | |
| 62 | G | D | -0.6877 | |
| 63 | T | D | -0.6324 | |
| 64 | G | D | -0.7167 | |
| 65 | L | D | -0.6538 | |
| 66 | L | D | -0.1015 | |
| 67 | L | D | 0.0000 | |
| 68 | T | D | 0.3391 | |
| 69 | L | D | 0.0000 | |
| 70 | Q | D | -1.2175 | |
| 71 | P | D | -1.7874 | |
| 72 | E | D | -2.8406 | |
| 73 | Q | D | -2.6105 | |
| 74 | K | D | -2.7472 | |
| 75 | F | D | -1.0038 | |
| 76 | Q | D | -1.0501 | |
| 77 | K | D | -2.2028 | |
| 78 | V | D | 0.0000 | |
| 79 | K | D | -0.9533 | |
| 80 | G | D | 0.0000 | |
| 81 | F | D | 0.0000 | |
| 82 | G | D | 0.0000 | |
| 83 | G | D | 0.0000 | |
| 84 | A | D | 0.0000 | |
| 85 | M | D | 0.0000 | |
| 86 | T | D | 0.0000 | |
| 87 | D | D | 0.0000 | |
| 88 | A | D | 0.0000 | |
| 89 | A | D | 0.0000 | |
| 90 | A | D | 0.0000 | |
| 91 | L | D | 0.7075 | |
| 92 | N | D | 0.0000 | |
| 93 | I | D | 0.0000 | |
| 94 | L | D | 0.4696 | |
| 95 | A | D | 0.3165 | |
| 96 | L | D | 0.0000 | |
| 97 | S | D | -0.5736 | |
| 98 | P | D | -0.4541 | |
| 99 | P | D | -0.5305 | |
| 100 | A | D | 0.0000 | |
| 101 | Q | D | 0.0000 | |
| 102 | N | D | -0.7326 | |
| 103 | L | D | -0.4281 | |
| 104 | L | D | 0.0000 | |
| 105 | L | D | 0.0000 | |
| 106 | K | D | -1.0433 | |
| 107 | S | D | 0.0000 | |
| 108 | Y | D | 0.0000 | |
| 109 | F | D | 0.0000 | |
| 110 | S | D | 0.0000 | |
| 111 | E | D | -1.4194 | |
| 112 | E | D | -1.8488 | |
| 113 | G | D | 0.0000 | |
| 114 | I | D | 0.0000 | |
| 115 | G | D | 0.0000 | |
| 116 | Y | D | 0.0000 | |
| 117 | N | D | 0.0000 | |
| 118 | I | D | 0.0000 | |
| 119 | I | D | 0.0000 | |
| 120 | R | D | 0.0000 | |
| 121 | V | D | 0.0000 | |
| 122 | P | D | 0.0000 | |
| 123 | M | D | 0.0000 | |
| 124 | A | D | 0.0000 | |
| 125 | S | D | 0.0000 | |
| 126 | C | D | 0.0000 | |
| 127 | D | D | 0.0000 | |
| 128 | F | D | 0.0000 | |
| 129 | S | D | 0.0000 | |
| 130 | I | D | 0.9865 | |
| 131 | R | D | 0.3415 | |
| 132 | T | D | -0.0385 | |
| 133 | Y | D | 0.0000 | |
| 134 | T | D | 0.0000 | |
| 135 | Y | D | 0.0000 | |
| 136 | A | D | 0.0000 | |
| 137 | D | D | -2.3805 | |
| 138 | T | D | -1.8622 | |
| 139 | P | D | -1.7811 | |
| 140 | D | D | -2.2895 | |
| 141 | D | D | -2.1197 | |
| 142 | F | D | -0.9946 | |
| 143 | Q | D | -1.7781 | |
| 144 | L | D | 0.0000 | |
| 145 | H | D | -1.9446 | |
| 146 | N | D | -2.2017 | |
| 147 | F | D | -1.3253 | |
| 148 | S | D | -0.8368 | |
| 149 | L | D | -0.2953 | |
| 150 | P | D | -0.4419 | |
| 151 | E | D | -1.0254 | |
| 152 | E | D | 0.0000 | |
| 153 | D | D | 0.0000 | |
| 154 | T | D | -0.5875 | |
| 155 | K | D | -1.0473 | |
| 156 | L | D | -0.2464 | |
| 157 | K | D | 0.0000 | |
| 158 | I | D | 0.0000 | |
| 159 | P | D | -0.5209 | |
| 160 | L | D | 0.0000 | |
| 161 | I | D | 0.0000 | |
| 162 | H | D | -1.0771 | |
| 163 | R | D | -1.0712 | |
| 164 | A | D | 0.0000 | |
| 165 | L | D | -0.4865 | |
| 166 | Q | D | -1.3745 | |
| 167 | L | D | -1.0351 | |
| 168 | A | D | -1.0548 | |
| 169 | Q | D | -1.5638 | |
| 170 | R | D | -0.9749 | |
| 171 | P | D | -0.6771 | |
| 172 | V | D | -0.1778 | |
| 173 | S | D | -0.0949 | |
| 174 | L | D | 0.0000 | |
| 175 | L | D | 0.0000 | |
| 176 | A | D | 0.0000 | |
| 177 | S | D | 0.0000 | |
| 178 | P | D | 0.0000 | |
| 179 | W | D | 0.0000 | |
| 180 | T | D | 0.0000 | |
| 181 | S | D | 0.0000 | |
| 182 | P | D | 0.0000 | |
| 183 | T | D | -0.9245 | |
| 184 | W | D | -1.0278 | |
| 185 | L | D | 0.0000 | |
| 186 | K | D | 0.0000 | |
| 187 | T | D | -1.1965 | |
| 188 | N | D | -1.3778 | |
| 189 | G | D | -0.8644 | |
| 190 | A | D | -0.6039 | |
| 191 | V | D | -0.2732 | |
| 192 | N | D | -0.7608 | |
| 193 | G | D | -1.1125 | |
| 194 | K | D | -1.7051 | |
| 195 | G | D | 0.0000 | |
| 196 | S | D | -0.9840 | |
| 197 | L | D | 0.0000 | |
| 198 | K | D | -1.5823 | |
| 199 | G | D | -1.4495 | |
| 200 | Q | D | -1.9359 | |
| 201 | P | D | -1.5652 | |
| 202 | G | D | -1.1488 | |
| 203 | D | D | -0.6297 | |
| 204 | I | D | 0.9048 | |
| 205 | Y | D | -0.0500 | |
| 206 | H | D | 0.0000 | |
| 207 | Q | D | -0.5203 | |
| 208 | T | D | 0.0000 | |
| 209 | W | D | 0.0000 | |
| 210 | A | D | 0.0000 | |
| 211 | R | D | -0.7788 | |
| 212 | Y | D | 0.0000 | |
| 213 | F | D | 0.0000 | |
| 214 | V | D | -0.7201 | |
| 215 | K | D | -0.7917 | |
| 216 | F | D | 0.0000 | |
| 217 | L | D | 0.0000 | |
| 218 | D | D | -2.0341 | |
| 219 | A | D | -1.4924 | |
| 220 | Y | D | 0.0000 | |
| 221 | A | D | -2.3989 | |
| 222 | E | D | -2.9297 | |
| 223 | H | D | -2.3734 | |
| 224 | K | D | -2.8805 | |
| 225 | L | D | 0.0000 | |
| 226 | Q | D | -1.9155 | |
| 227 | F | D | 0.0000 | |
| 228 | W | D | -0.4723 | |
| 229 | A | D | 0.0000 | |
| 230 | V | D | 0.0000 | |
| 231 | T | D | 0.0000 | |
| 232 | A | D | 0.0000 | |
| 233 | E | D | 0.0000 | |
| 234 | N | D | 0.0000 | |
| 235 | E | D | -0.1800 | |
| 236 | P | D | 0.0000 | |
| 237 | S | D | 0.0230 | |
| 238 | A | D | 0.0000 | |
| 239 | G | D | 0.0000 | |
| 240 | L | D | 0.0838 | |
| 241 | L | D | 0.5300 | |
| 242 | S | D | -0.2224 | |
| 243 | G | D | -0.5466 | |
| 244 | Y | D | -0.3314 | |
| 245 | P | D | -0.4507 | |
| 246 | F | D | -0.0826 | |
| 247 | Q | D | 0.0000 | |
| 248 | C | D | 0.0000 | |
| 249 | L | D | 0.0000 | |
| 250 | G | D | 0.0000 | |
| 251 | F | D | 0.0000 | |
| 252 | T | D | -0.4035 | |
| 253 | P | D | -0.8724 | |
| 254 | E | D | -1.2647 | |
| 255 | H | D | -1.0583 | |
| 256 | Q | D | 0.0000 | |
| 257 | R | D | -1.5526 | |
| 258 | D | D | -1.9952 | |
| 259 | F | D | 0.0000 | |
| 260 | I | D | 0.0000 | |
| 261 | A | D | 0.0000 | |
| 262 | R | D | -2.6415 | |
| 263 | D | D | 0.0000 | |
| 264 | L | D | 0.0000 | |
| 265 | G | D | 0.0000 | |
| 266 | P | D | -1.1316 | |
| 267 | T | D | -1.0039 | |
| 268 | L | D | 0.0000 | |
| 269 | A | D | -1.1893 | |
| 270 | N | D | -1.5132 | |
| 271 | S | D | -1.2642 | |
| 272 | T | D | -0.9524 | |
| 273 | H | D | 0.0000 | |
| 274 | H | D | -1.9545 | |
| 275 | N | D | -1.8512 | |
| 276 | V | D | -1.3074 | |
| 277 | R | D | -1.2750 | |
| 278 | L | D | 0.0000 | |
| 279 | L | D | 0.0000 | |
| 280 | M | D | 0.0000 | |
| 281 | L | D | 0.0000 | |
| 282 | D | D | 0.0000 | |
| 283 | D | D | 0.0000 | |
| 284 | Q | D | 0.3555 | |
| 285 | R | D | 0.0000 | |
| 286 | L | D | 1.2186 | |
| 287 | L | D | 0.4419 | |
| 288 | L | D | 0.0000 | |
| 289 | P | D | -0.7535 | |
| 290 | H | D | -1.1022 | |
| 291 | W | D | 0.0000 | |
| 292 | A | D | 0.0000 | |
| 293 | K | D | -1.1337 | |
| 294 | V | D | -0.9023 | |
| 295 | V | D | 0.0000 | |
| 296 | L | D | -0.7782 | |
| 297 | T | D | -0.7706 | |
| 298 | D | D | -1.7059 | |
| 299 | P | D | -1.8337 | |
| 300 | E | D | -2.9216 | |
| 301 | A | D | 0.0000 | |
| 302 | A | D | -1.5370 | |
| 303 | K | D | -2.2623 | |
| 304 | Y | D | -1.2549 | |
| 305 | V | D | 0.0000 | |
| 306 | H | D | -1.0161 | |
| 307 | G | D | 0.0000 | |
| 308 | I | D | 0.0000 | |
| 309 | A | D | 0.0000 | |
| 310 | V | D | 0.0000 | |
| 311 | H | D | 0.0000 | |
| 312 | W | D | 0.3654 | |
| 313 | Y | D | 0.6655 | |
| 314 | L | D | 1.3559 | |
| 315 | D | D | 0.8272 | |
| 316 | F | D | 2.4373 | |
| 317 | L | D | 2.4063 | |
| 318 | A | D | 0.0000 | |
| 319 | P | D | -0.0601 | |
| 320 | A | D | 0.0000 | |
| 321 | K | D | -1.7875 | |
| 322 | A | D | -0.9539 | |
| 323 | T | D | 0.0000 | |
| 324 | L | D | 0.0000 | |
| 325 | G | D | -1.3832 | |
| 326 | E | D | -1.4322 | |
| 327 | T | D | 0.0000 | |
| 328 | H | D | -1.5357 | |
| 329 | R | D | -2.0414 | |
| 330 | L | D | -0.7783 | |
| 331 | F | D | -0.8116 | |
| 332 | P | D | -1.3350 | |
| 333 | N | D | -1.5379 | |
| 334 | T | D | 0.0000 | |
| 335 | M | D | -0.6179 | |
| 336 | L | D | 0.0000 | |
| 337 | F | D | 0.0000 | |
| 338 | A | D | 0.0000 | |
| 339 | S | D | 0.0000 | |
| 340 | E | D | 0.0000 | |
| 341 | A | D | 0.0000 | |
| 342 | C | D | 0.0000 | |
| 343 | V | D | 0.0000 | |
| 344 | G | D | 0.0000 | |
| 345 | S | D | -0.0075 | |
| 346 | K | D | 0.0233 | |
| 347 | F | D | 1.4051 | |
| 348 | W | D | 0.4711 | |
| 349 | E | D | -0.7736 | |
| 350 | Q | D | -1.5386 | |
| 351 | S | D | -0.9479 | |
| 352 | V | D | -1.0102 | |
| 353 | R | D | -1.2700 | |
| 354 | L | D | -0.1277 | |
| 355 | G | D | 0.0000 | |
| 356 | S | D | 0.0000 | |
| 357 | W | D | 0.0000 | |
| 358 | D | D | -2.0819 | |
| 359 | R | D | 0.0000 | |
| 360 | G | D | 0.0000 | |
| 361 | M | D | -1.0925 | |
| 362 | Q | D | -1.1677 | |
| 363 | Y | D | 0.0000 | |
| 364 | S | D | 0.0000 | |
| 365 | H | D | -0.7328 | |
| 366 | S | D | -0.3959 | |
| 367 | I | D | 0.0000 | |
| 368 | I | D | 0.0000 | |
| 369 | T | D | -0.1015 | |
| 370 | N | D | 0.0000 | |
| 371 | L | D | 0.0000 | |
| 372 | L | D | 0.5763 | |
| 373 | Y | D | 0.0805 | |
| 374 | H | D | -0.2741 | |
| 375 | V | D | 0.0000 | |
| 376 | V | D | 0.0000 | |
| 377 | G | D | 0.0000 | |
| 378 | W | D | 0.0000 | |
| 379 | T | D | 0.0000 | |
| 380 | D | D | 0.0000 | |
| 381 | W | D | 0.0000 | |
| 382 | N | D | 0.0000 | |
| 383 | L | D | 0.0000 | |
| 384 | A | D | 0.0000 | |
| 385 | L | D | 0.0000 | |
| 386 | N | D | -0.7074 | |
| 387 | P | D | -1.1072 | |
| 388 | E | D | -2.2950 | |
| 389 | G | D | 0.0000 | |
| 390 | G | D | 0.0000 | |
| 391 | P | D | -0.4041 | |
| 392 | N | D | 0.0000 | |
| 393 | W | D | 0.0199 | |
| 394 | V | D | 0.0000 | |
| 395 | R | D | -1.6975 | |
| 396 | N | D | -0.3877 | |
| 397 | F | D | -0.8883 | |
| 398 | V | D | 0.0000 | |
| 399 | D | D | 0.0000 | |
| 400 | S | D | 0.0000 | |
| 401 | P | D | 0.0000 | |
| 402 | I | D | 0.0000 | |
| 403 | I | D | 0.0000 | |
| 404 | V | D | 0.0000 | |
| 405 | D | D | -0.8761 | |
| 406 | I | D | -0.1231 | |
| 407 | T | D | -0.8023 | |
| 408 | K | D | -1.8981 | |
| 409 | D | D | -1.3399 | |
| 410 | T | D | 0.0000 | |
| 411 | F | D | 0.0000 | |
| 412 | Y | D | 0.0000 | |
| 413 | K | D | 0.0000 | |
| 414 | Q | D | 0.0000 | |
| 415 | P | D | 0.0000 | |
| 416 | M | D | 0.0000 | |
| 417 | F | D | 0.0000 | |
| 418 | Y | D | 0.0000 | |
| 419 | H | D | 0.0000 | |
| 420 | L | D | 0.0000 | |
| 421 | G | D | 0.0000 | |
| 422 | H | D | 0.0000 | |
| 423 | F | D | 0.0000 | |
| 424 | S | D | 0.0000 | |
| 425 | K | D | 0.0000 | |
| 426 | F | D | 0.0000 | |
| 427 | I | D | 0.0000 | |
| 428 | P | D | -0.7680 | |
| 429 | E | D | -1.3003 | |
| 430 | G | D | -1.4259 | |
| 431 | S | D | 0.0000 | |
| 432 | Q | D | -1.4566 | |
| 433 | R | D | 0.0000 | |
| 434 | V | D | 0.0000 | |
| 435 | G | D | 0.0000 | |
| 436 | L | D | 0.7409 | |
| 437 | V | D | 1.3565 | |
| 438 | A | D | 0.0561 | |
| 439 | S | D | -0.6819 | |
| 440 | Q | D | -1.9373 | |
| 441 | K | D | -2.7676 | |
| 442 | N | D | -2.2540 | |
| 443 | D | D | -2.6544 | |
| 444 | L | D | 0.0000 | |
| 445 | D | D | -0.9245 | |
| 446 | A | D | -0.0543 | |
| 447 | V | D | 0.0000 | |
| 448 | A | D | 0.0000 | |
| 449 | L | D | 0.0000 | |
| 450 | M | D | 0.0000 | |
| 451 | H | D | -1.3439 | |
| 452 | P | D | -1.6211 | |
| 453 | D | D | -2.3379 | |
| 454 | G | D | -1.6700 | |
| 455 | S | D | 0.0000 | |
| 456 | A | D | 0.0000 | |
| 457 | V | D | 0.0000 | |
| 458 | V | D | 0.0000 | |
| 459 | V | D | 0.0000 | |
| 460 | V | D | 0.0000 | |
| 461 | L | D | 0.0000 | |
| 462 | N | D | 0.0000 | |
| 463 | R | D | -1.7719 | |
| 464 | S | D | -1.6005 | |
| 465 | S | D | -1.4417 | |
| 466 | K | D | -2.6640 | |
| 467 | D | D | -1.7194 | |
| 468 | V | D | -0.9088 | |
| 469 | P | D | -0.2936 | |
| 470 | L | D | 0.0000 | |
| 471 | T | D | 0.0000 | |
| 472 | I | D | 0.0000 | |
| 473 | K | D | -0.6753 | |
| 474 | D | D | 0.0000 | |
| 475 | P | D | -0.3527 | |
| 476 | A | D | -0.2268 | |
| 477 | V | D | -0.1622 | |
| 478 | G | D | -0.7877 | |
| 479 | F | D | -0.9511 | |
| 480 | L | D | 0.0000 | |
| 481 | E | D | -1.0537 | |
| 482 | T | D | 0.0316 | |
| 483 | I | D | 0.6616 | |
| 484 | S | D | 0.0000 | |
| 485 | P | D | -0.8175 | |
| 486 | G | D | -1.3253 | |
| 487 | Y | D | -1.0420 | |
| 488 | S | D | 0.0000 | |
| 489 | I | D | 0.0000 | |
| 490 | H | D | 0.0000 | |
| 491 | T | D | 0.0000 | |
| 492 | Y | D | 0.0000 | |
| 493 | L | D | 0.2667 | |
| 494 | W | D | 0.0000 | |
| 495 | R | D | -0.7746 | |
| 496 | R | D | -1.1315 | |
| 497 | Q | D | -1.4719 |
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 | -0.2494 | 5.8078 | View | CSV | PDB |
| 4.5 | -0.2842 | 5.705 | View | CSV | PDB |
| 5.0 | -0.3234 | 5.5942 | View | CSV | PDB |
| 5.5 | -0.3598 | 5.4806 | View | CSV | PDB |
| 6.0 | -0.386 | 5.3663 | View | CSV | PDB |
| 6.5 | -0.3977 | 5.252 | View | CSV | PDB |
| 7.0 | -0.3959 | 5.1386 | View | CSV | PDB |
| 7.5 | -0.3855 | 5.0815 | View | CSV | PDB |
| 8.0 | -0.3701 | 5.0815 | View | CSV | PDB |
| 8.5 | -0.3498 | 5.0815 | View | CSV | PDB |
| 9.0 | -0.3239 | 5.0815 | 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