| Chain sequence(s) |
A: MNKMGIHFGYWTKDWIVDFSKYAKKAADLGFDIIEYDLGAIMDSPQEYQEKLKDTIEKLNIDITFLIGLSKKYDISSGDSRVRSKGIEFLKNAVKETHRLGGNQLSGAIYGAWGASLNPGEKDKSLYLERSAESFKEVVKVAEKLGVTCNVEVANCFEQFMLNTAEEAKEFIKMVGSDRLKIHLDTFHMNIEEDSFSKAIKLAGDDLGHFHIGENNRKLPGRGHLPWEEIMGALKEIKYEGAIVMEPFLLPGGDIAQDVCVWRNLDIKNKDEEAKKAKEYLINLLK
C: MNKMGIHFGYWTKDWIVDFSKYAKKAADLGFDIIEYDLGAIMDSPQEYQEKLKDTIEKLNIDITFLIGLSKKYDISSGDSRVRSKGIEFLKNAVKETHRLGGNQLSGAIYGAWGASLNPGEKDKSLYLERSAESFKEVVKVAEKLGVTCNVEVANCFEQFMLNTAEEAKEFIKMVGSDRLKIHLDTFHMNIEEDSFSKAIKLAGDDLGHFHIGENNRKLPGRGHLPWEEIMGALKEIKYEGAIVMEPFLLPGGDIAQDVCVWRNLDIKNKDEEAKKAKEYLINLLK B: MNKMGIHFGYWTKDWIVDFSKYAKKAADLGFDIIEYDLGAIMDSPQEYQEKLKDTIEKLNIDITFLIGLSKKYDISSGDSRVRSKGIEFLKNAVKETHRLGGNQLSGAIYGAWGASLNPGEKDKSLYLERSAESFKEVVKVAEKLGVTCNVEVANCFEQFMLNTAEEAKEFIKMVGSDRLKIHLDTFHMNIEEDSFSKAIKLAGDDLGHFHIGENNRKLPGRGHLPWEEIMGALKEIKYEGAIVMEPFLLPGGDIAQDVCVWRNLDIKNKDEEAKKAKEYLINLLK D: MNKMGIHFGYWTKDWIVDFSKYAKKAADLGFDIIEYDLGAIMDSPQEYQEKLKDTIEKLNIDITFLIGLSKKYDISSGDSRVRSKGIEFLKNAVKETHRLGGNQLSGAIYGAWGASLNPGEKDKSLYLERSAESFKEVVKVAEKLGVTCNVEVANCFEQFMLNTAEEAKEFIKMVGSDRLKIHLDTFHMNIEEDSFSKAIKLAGDDLGHFHIGENNRKLPGRGHLPWEEIMGALKEIKYEGAIVMEPFLLPGGDIAQDVCVWRNLDIKNKDEEAKKAKEYLINLLK input PDB |
| Selected Chain(s) | A,B,C,D |
| 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] (00:00:01)
[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] FoldX: Starting FoldX energy minimalization (00:00:02)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (01:13:59)
[INFO] Main: Simulation completed successfully. (01:14:33)
|
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 | |
| 1 | M | A | -0.1846 | |
| 2 | N | A | -1.1667 | |
| 3 | K | A | -1.5893 | |
| 4 | M | A | 0.0000 | |
| 5 | G | A | 0.0000 | |
| 6 | I | A | 0.0000 | |
| 7 | H | A | 0.0000 | |
| 8 | F | A | 0.0000 | |
| 9 | G | A | 0.0000 | |
| 10 | Y | A | 0.0000 | |
| 11 | W | A | -0.2425 | |
| 12 | T | A | 0.0000 | |
| 13 | K | A | -0.9425 | |
| 14 | D | A | -0.8993 | |
| 15 | W | A | -0.6337 | |
| 16 | I | A | -0.2533 | |
| 17 | V | A | -0.2378 | |
| 18 | D | A | -1.0708 | |
| 19 | F | A | 0.0000 | |
| 20 | S | A | -2.1088 | |
| 21 | K | A | -2.5320 | |
| 22 | Y | A | 0.0000 | |
| 23 | A | A | 0.0000 | |
| 24 | K | A | -2.9196 | |
| 25 | K | A | -2.3045 | |
| 26 | A | A | 0.0000 | |
| 27 | A | A | -2.0639 | |
| 28 | D | A | -2.4971 | |
| 29 | L | A | -2.1764 | |
| 30 | G | A | -1.5650 | |
| 31 | F | A | 0.0000 | |
| 32 | D | A | -1.9635 | |
| 33 | I | A | 0.0000 | |
| 34 | I | A | 0.0000 | |
| 35 | E | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | D | A | -0.1219 | |
| 38 | L | A | 0.0000 | |
| 39 | G | A | -0.6198 | |
| 40 | A | A | 0.0000 | |
| 41 | I | A | 0.0000 | |
| 42 | M | A | -1.2172 | |
| 43 | D | A | -2.2247 | |
| 44 | S | A | -1.4046 | |
| 45 | P | A | -1.7065 | |
| 46 | Q | A | -2.7450 | |
| 47 | E | A | -2.7516 | |
| 48 | Y | A | -1.7892 | |
| 49 | Q | A | -2.5445 | |
| 50 | E | A | -3.5469 | |
| 51 | K | A | -3.4524 | |
| 52 | L | A | 0.0000 | |
| 53 | K | A | -3.0104 | |
| 54 | D | A | -3.4357 | |
| 55 | T | A | -3.0600 | |
| 56 | I | A | 0.0000 | |
| 57 | E | A | -3.6327 | |
| 58 | K | A | -3.2724 | |
| 59 | L | A | -2.4661 | |
| 60 | N | A | -2.3301 | |
| 61 | I | A | 0.0000 | |
| 62 | D | A | -1.8926 | |
| 63 | I | A | 0.0000 | |
| 64 | T | A | 0.0000 | |
| 65 | F | A | 0.0000 | |
| 66 | L | A | -0.0331 | |
| 67 | I | A | 0.0000 | |
| 68 | G | A | -0.4522 | |
| 69 | L | A | 0.0000 | |
| 70 | S | A | -1.0966 | |
| 71 | K | A | -2.0088 | |
| 72 | K | A | -1.7445 | |
| 73 | Y | A | -1.1980 | |
| 74 | D | A | -1.0262 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | 0.0000 | |
| 77 | S | A | 0.0000 | |
| 78 | G | A | -0.9836 | |
| 79 | D | A | 0.0000 | |
| 80 | S | A | -1.0496 | |
| 81 | R | A | -1.4385 | |
| 82 | V | A | 0.0000 | |
| 83 | R | A | -1.4582 | |
| 84 | S | A | -1.1519 | |
| 85 | K | A | -1.2120 | |
| 86 | G | A | 0.0000 | |
| 87 | I | A | -1.4790 | |
| 88 | E | A | -2.2739 | |
| 89 | F | A | -1.2810 | |
| 90 | L | A | 0.0000 | |
| 91 | K | A | -2.1952 | |
| 92 | N | A | -1.9416 | |
| 93 | A | A | 0.0000 | |
| 94 | V | A | 0.0000 | |
| 95 | K | A | -2.5186 | |
| 96 | E | A | -1.8913 | |
| 97 | T | A | 0.0000 | |
| 98 | H | A | -2.1513 | |
| 99 | R | A | -1.8740 | |
| 100 | L | A | 0.0000 | |
| 101 | G | A | -1.9456 | |
| 102 | G | A | 0.0000 | |
| 103 | N | A | -1.8944 | |
| 104 | Q | A | -1.0739 | |
| 105 | L | A | 0.0000 | |
| 106 | S | A | 0.0000 | |
| 107 | G | A | 0.0000 | |
| 108 | A | A | 0.0000 | |
| 109 | I | A | 0.0000 | |
| 110 | Y | A | 0.0000 | |
| 111 | G | A | 0.0000 | |
| 112 | A | A | 0.0000 | |
| 113 | W | A | -0.3997 | |
| 114 | G | A | -0.6873 | |
| 115 | A | A | -0.4774 | |
| 116 | S | A | -0.3239 | |
| 117 | L | A | 0.0000 | |
| 118 | N | A | -1.0421 | |
| 119 | P | A | -1.3297 | |
| 120 | G | A | 0.0000 | |
| 121 | E | A | -1.8473 | |
| 122 | K | A | -2.4834 | |
| 123 | D | A | -2.4474 | |
| 124 | K | A | 0.0000 | |
| 125 | S | A | -0.7203 | |
| 126 | L | A | -0.0544 | |
| 127 | Y | A | -0.6389 | |
| 128 | L | A | -1.1518 | |
| 129 | E | A | -2.0965 | |
| 130 | R | A | -2.0710 | |
| 131 | S | A | 0.0000 | |
| 132 | A | A | 0.0000 | |
| 133 | E | A | -3.0187 | |
| 134 | S | A | 0.0000 | |
| 135 | F | A | 0.0000 | |
| 136 | K | A | -2.4272 | |
| 137 | E | A | -2.9511 | |
| 138 | V | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | K | A | -3.3003 | |
| 141 | V | A | -2.5918 | |
| 142 | A | A | 0.0000 | |
| 143 | E | A | -3.5167 | |
| 144 | K | A | -2.9697 | |
| 145 | L | A | -1.8882 | |
| 146 | G | A | -1.5556 | |
| 147 | V | A | 0.0000 | |
| 148 | T | A | 0.0000 | |
| 149 | C | A | 0.0000 | |
| 150 | N | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | E | A | -0.2468 | |
| 153 | V | A | 0.0000 | |
| 154 | A | A | 0.0000 | |
| 155 | N | A | 0.0000 | |
| 156 | C | A | 0.0000 | |
| 157 | F | A | 0.1190 | |
| 158 | E | A | 0.0000 | |
| 159 | Q | A | 0.0000 | |
| 160 | F | A | 0.0000 | |
| 161 | M | A | 0.0000 | |
| 162 | L | A | 0.0000 | |
| 163 | N | A | 0.0000 | |
| 164 | T | A | -0.9046 | |
| 165 | A | A | 0.0000 | |
| 166 | E | A | -2.5054 | |
| 167 | E | A | -1.9001 | |
| 168 | A | A | 0.0000 | |
| 169 | K | A | -2.5015 | |
| 170 | E | A | -3.0117 | |
| 171 | F | A | 0.0000 | |
| 172 | I | A | 0.0000 | |
| 173 | K | A | -2.4757 | |
| 174 | M | A | -1.7088 | |
| 175 | V | A | 0.0000 | |
| 176 | G | A | -1.6186 | |
| 177 | S | A | -2.2596 | |
| 178 | D | A | -2.6586 | |
| 179 | R | A | -2.6536 | |
| 180 | L | A | 0.0000 | |
| 181 | K | A | -1.7112 | |
| 182 | I | A | 0.0000 | |
| 183 | H | A | 0.0000 | |
| 184 | L | A | 0.0000 | |
| 185 | D | A | 0.0000 | |
| 186 | T | A | 0.0000 | |
| 187 | F | A | 0.0000 | |
| 188 | H | A | 0.0000 | |
| 189 | M | A | 0.0000 | |
| 190 | N | A | 0.0000 | |
| 191 | I | A | 0.0000 | |
| 192 | E | A | 0.0000 | |
| 193 | E | A | 0.0000 | |
| 194 | D | A | -1.8267 | |
| 195 | S | A | -1.4665 | |
| 196 | F | A | 0.0000 | |
| 197 | S | A | -1.9722 | |
| 198 | K | A | -2.3884 | |
| 199 | A | A | 0.0000 | |
| 200 | I | A | 0.0000 | |
| 201 | K | A | -2.5497 | |
| 202 | L | A | -1.6415 | |
| 203 | A | A | 0.0000 | |
| 204 | G | A | -2.1362 | |
| 205 | D | A | -2.6740 | |
| 206 | D | A | -2.1718 | |
| 207 | L | A | 0.0000 | |
| 208 | G | A | -1.0568 | |
| 209 | H | A | 0.0000 | |
| 210 | F | A | 0.0000 | |
| 211 | H | A | 0.0000 | |
| 212 | I | A | 0.0000 | |
| 213 | G | A | 0.0000 | |
| 214 | E | A | 0.0000 | |
| 215 | N | A | 0.0000 | |
| 216 | N | A | 0.0000 | |
| 217 | R | A | 0.0000 | |
| 218 | K | A | -0.8502 | |
| 219 | L | A | 0.0000 | |
| 220 | P | A | 0.0000 | |
| 221 | G | A | -1.5174 | |
| 222 | R | A | -2.1066 | |
| 223 | G | A | -1.5984 | |
| 224 | H | A | -1.0430 | |
| 225 | L | A | 0.0000 | |
| 226 | P | A | -1.0944 | |
| 227 | W | A | 0.0000 | |
| 228 | E | A | -2.3090 | |
| 229 | E | A | -2.1023 | |
| 230 | I | A | 0.0000 | |
| 231 | M | A | 0.0000 | |
| 232 | G | A | -2.3393 | |
| 233 | A | A | 0.0000 | |
| 234 | L | A | 0.0000 | |
| 235 | K | A | -3.2904 | |
| 236 | E | A | -3.1902 | |
| 237 | I | A | -2.8011 | |
| 238 | K | A | -3.4883 | |
| 239 | Y | A | 0.0000 | |
| 240 | E | A | -2.6617 | |
| 241 | G | A | -1.3554 | |
| 242 | A | A | -0.9650 | |
| 243 | I | A | 0.0000 | |
| 244 | V | A | 0.0000 | |
| 245 | M | A | 0.0000 | |
| 246 | E | A | 0.0000 | |
| 247 | P | A | 0.0000 | |
| 248 | F | A | 0.0000 | |
| 249 | L | A | 0.0000 | |
| 250 | L | A | -0.6357 | |
| 251 | P | A | -1.2949 | |
| 252 | G | A | -1.5638 | |
| 253 | G | A | 0.0000 | |
| 254 | D | A | -1.5658 | |
| 255 | I | A | 0.0000 | |
| 256 | A | A | 0.0000 | |
| 257 | Q | A | -1.3491 | |
| 258 | D | A | -1.4123 | |
| 259 | V | A | 0.0000 | |
| 260 | C | A | -0.4171 | |
| 261 | V | A | 0.0000 | |
| 262 | W | A | 0.0000 | |
| 263 | R | A | -1.3374 | |
| 264 | N | A | -1.6738 | |
| 265 | L | A | -0.8122 | |
| 266 | D | A | -1.4769 | |
| 267 | I | A | -1.5405 | |
| 268 | K | A | -2.7952 | |
| 269 | N | A | -3.0667 | |
| 270 | K | A | -2.7547 | |
| 271 | D | A | -2.8504 | |
| 272 | E | A | -3.8027 | |
| 273 | E | A | -3.4432 | |
| 274 | A | A | 0.0000 | |
| 275 | K | A | -3.2021 | |
| 276 | K | A | -3.4210 | |
| 277 | A | A | 0.0000 | |
| 278 | K | A | -1.9642 | |
| 279 | E | A | -2.2948 | |
| 280 | Y | A | -1.0610 | |
| 281 | L | A | 0.0000 | |
| 282 | I | A | -0.8941 | |
| 283 | N | A | -1.4644 | |
| 284 | L | A | -1.3218 | |
| 285 | L | A | 0.0000 | |
| 286 | K | A | -1.8605 | |
| 1 | M | B | -0.0675 | |
| 2 | N | B | 0.0000 | |
| 3 | K | B | -1.5284 | |
| 4 | M | B | 0.0000 | |
| 5 | G | B | 0.0000 | |
| 6 | I | B | 0.0000 | |
| 7 | H | B | 0.0000 | |
| 8 | F | B | 0.0000 | |
| 9 | G | B | 0.0000 | |
| 10 | Y | B | 0.0000 | |
| 11 | W | B | -0.2438 | |
| 12 | T | B | 0.0000 | |
| 13 | K | B | -0.8649 | |
| 14 | D | B | -0.7033 | |
| 15 | W | B | -0.4852 | |
| 16 | I | B | -0.0276 | |
| 17 | V | B | -0.0759 | |
| 18 | D | B | -1.0595 | |
| 19 | F | B | 0.0000 | |
| 20 | S | B | 0.0000 | |
| 21 | K | B | -2.2630 | |
| 22 | Y | B | 0.0000 | |
| 23 | A | B | 0.0000 | |
| 24 | K | B | -2.9124 | |
| 25 | K | B | -2.1845 | |
| 26 | A | B | 0.0000 | |
| 27 | A | B | -2.0811 | |
| 28 | D | B | -2.4071 | |
| 29 | L | B | -2.1623 | |
| 30 | G | B | -1.7049 | |
| 31 | F | B | 0.0000 | |
| 32 | D | B | -1.7785 | |
| 33 | I | B | 0.0000 | |
| 34 | I | B | 0.0000 | |
| 35 | E | B | 0.0000 | |
| 36 | Y | B | 0.0000 | |
| 37 | D | B | -0.1036 | |
| 38 | L | B | 0.0000 | |
| 39 | G | B | -0.6550 | |
| 40 | A | B | 0.0000 | |
| 41 | I | B | 0.0000 | |
| 42 | M | B | -1.2666 | |
| 43 | D | B | -2.3166 | |
| 44 | S | B | -1.4293 | |
| 45 | P | B | -1.6513 | |
| 46 | Q | B | -2.7993 | |
| 47 | E | B | -3.1423 | |
| 48 | Y | B | -2.1035 | |
| 49 | Q | B | -2.7210 | |
| 50 | E | B | -3.7674 | |
| 51 | K | B | -3.6977 | |
| 52 | L | B | 0.0000 | |
| 53 | K | B | -3.1949 | |
| 54 | D | B | -3.5439 | |
| 55 | T | B | -3.1337 | |
| 56 | I | B | 0.0000 | |
| 57 | E | B | -3.6856 | |
| 58 | K | B | -3.3079 | |
| 59 | L | B | -2.4951 | |
| 60 | N | B | -2.3441 | |
| 61 | I | B | 0.0000 | |
| 62 | D | B | -1.8875 | |
| 63 | I | B | 0.0000 | |
| 64 | T | B | 0.0000 | |
| 65 | F | B | 0.0000 | |
| 66 | L | B | -0.0116 | |
| 67 | I | B | 0.0000 | |
| 68 | G | B | -0.3850 | |
| 69 | L | B | 0.0000 | |
| 70 | S | B | -0.9091 | |
| 71 | K | B | -1.6240 | |
| 72 | K | B | -1.7971 | |
| 73 | Y | B | -1.1485 | |
| 74 | D | B | 0.0000 | |
| 75 | I | B | 0.0000 | |
| 76 | S | B | 0.0000 | |
| 77 | S | B | 0.0000 | |
| 78 | G | B | -0.9403 | |
| 79 | D | B | 0.0000 | |
| 80 | S | B | -0.9751 | |
| 81 | R | B | -1.3385 | |
| 82 | V | B | 0.0000 | |
| 83 | R | B | -1.3731 | |
| 84 | S | B | -1.1403 | |
| 85 | K | B | -1.2392 | |
| 86 | G | B | 0.0000 | |
| 87 | I | B | -1.4644 | |
| 88 | E | B | -2.1713 | |
| 89 | F | B | -1.1143 | |
| 90 | L | B | 0.0000 | |
| 91 | K | B | -1.7873 | |
| 92 | N | B | -1.5164 | |
| 93 | A | B | 0.0000 | |
| 94 | V | B | 0.0000 | |
| 95 | K | B | -2.2001 | |
| 96 | E | B | -1.6943 | |
| 97 | T | B | 0.0000 | |
| 98 | H | B | -2.0787 | |
| 99 | R | B | -1.8609 | |
| 100 | L | B | 0.0000 | |
| 101 | G | B | -1.9720 | |
| 102 | G | B | 0.0000 | |
| 103 | N | B | -1.8570 | |
| 104 | Q | B | -1.0697 | |
| 105 | L | B | 0.0000 | |
| 106 | S | B | 0.0000 | |
| 107 | G | B | 0.0000 | |
| 108 | A | B | 0.0000 | |
| 109 | I | B | 0.0000 | |
| 110 | Y | B | 0.0000 | |
| 111 | G | B | 0.0000 | |
| 112 | A | B | 0.0000 | |
| 113 | W | B | -0.2966 | |
| 114 | G | B | -0.6381 | |
| 115 | A | B | -0.3770 | |
| 116 | S | B | -0.3311 | |
| 117 | L | B | 0.0000 | |
| 118 | N | B | -1.0033 | |
| 119 | P | B | -1.2597 | |
| 120 | G | B | 0.0000 | |
| 121 | E | B | -1.8186 | |
| 122 | K | B | -2.4897 | |
| 123 | D | B | -2.4503 | |
| 124 | K | B | 0.0000 | |
| 125 | S | B | -0.6869 | |
| 126 | L | B | -0.0174 | |
| 127 | Y | B | -0.4128 | |
| 128 | L | B | -0.9529 | |
| 129 | E | B | -2.0705 | |
| 130 | R | B | -2.0464 | |
| 131 | S | B | 0.0000 | |
| 132 | A | B | 0.0000 | |
| 133 | E | B | -3.2664 | |
| 134 | S | B | 0.0000 | |
| 135 | F | B | 0.0000 | |
| 136 | K | B | -3.0394 | |
| 137 | E | B | -3.3879 | |
| 138 | V | B | 0.0000 | |
| 139 | V | B | 0.0000 | |
| 140 | K | B | -2.7630 | |
| 141 | V | B | -2.0631 | |
| 142 | A | B | 0.0000 | |
| 143 | E | B | -2.4142 | |
| 144 | K | B | -2.3569 | |
| 145 | L | B | -1.4417 | |
| 146 | G | B | -1.2061 | |
| 147 | V | B | 0.0000 | |
| 148 | T | B | 0.0000 | |
| 149 | C | B | 0.0000 | |
| 150 | N | B | 0.0000 | |
| 151 | V | B | 0.0000 | |
| 152 | E | B | 0.0000 | |
| 153 | V | B | 0.0000 | |
| 154 | A | B | 0.0000 | |
| 155 | N | B | 0.0000 | |
| 156 | C | B | 0.0000 | |
| 157 | F | B | 0.1228 | |
| 158 | E | B | 0.0000 | |
| 159 | Q | B | 0.0000 | |
| 160 | F | B | 0.0000 | |
| 161 | M | B | 0.0000 | |
| 162 | L | B | 0.0000 | |
| 163 | N | B | 0.0000 | |
| 164 | T | B | -0.8908 | |
| 165 | A | B | 0.0000 | |
| 166 | E | B | -2.5173 | |
| 167 | E | B | -1.9158 | |
| 168 | A | B | 0.0000 | |
| 169 | K | B | -2.5385 | |
| 170 | E | B | -3.0186 | |
| 171 | F | B | 0.0000 | |
| 172 | I | B | 0.0000 | |
| 173 | K | B | -2.4525 | |
| 174 | M | B | -1.7114 | |
| 175 | V | B | 0.0000 | |
| 176 | G | B | -1.6907 | |
| 177 | S | B | -2.1495 | |
| 178 | D | B | -2.5076 | |
| 179 | R | B | -2.3469 | |
| 180 | L | B | 0.0000 | |
| 181 | K | B | -1.6962 | |
| 182 | I | B | 0.0000 | |
| 183 | H | B | 0.0000 | |
| 184 | L | B | 0.0000 | |
| 185 | D | B | 0.0000 | |
| 186 | T | B | 0.0000 | |
| 187 | F | B | 0.0000 | |
| 188 | H | B | 0.0000 | |
| 189 | M | B | 0.0000 | |
| 190 | N | B | 0.0000 | |
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| 194 | D | B | -1.8455 | |
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| 196 | F | B | 0.0000 | |
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| 199 | A | B | 0.0000 | |
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| 1 | M | C | -0.1800 | |
| 2 | N | C | -1.1663 | |
| 3 | K | C | -1.5783 | |
| 4 | M | C | 0.0000 | |
| 5 | G | C | 0.0000 | |
| 6 | I | C | 0.0000 | |
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| 8 | F | C | 0.0000 | |
| 9 | G | C | 0.0000 | |
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| 11 | W | C | -0.2384 | |
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| 14 | D | C | -0.8538 | |
| 15 | W | C | -0.6005 | |
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| 19 | F | C | 0.0000 | |
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| 22 | Y | C | 0.0000 | |
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| 26 | A | C | 0.0000 | |
| 27 | A | C | -1.9768 | |
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| 29 | L | C | -1.9878 | |
| 30 | G | C | -1.4817 | |
| 31 | F | C | 0.0000 | |
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| 33 | I | C | 0.0000 | |
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| 35 | E | C | 0.0000 | |
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| 40 | A | C | 0.0000 | |
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| 43 | D | C | -2.3536 | |
| 44 | S | C | -1.4576 | |
| 45 | P | C | -1.6363 | |
| 46 | Q | C | -2.7117 | |
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| 48 | Y | C | -1.8747 | |
| 49 | Q | C | -2.6121 | |
| 50 | E | C | -3.6396 | |
| 51 | K | C | -3.5257 | |
| 52 | L | C | 0.0000 | |
| 53 | K | C | -3.0743 | |
| 54 | D | C | -3.4658 | |
| 55 | T | C | 0.0000 | |
| 56 | I | C | 0.0000 | |
| 57 | E | C | -3.6162 | |
| 58 | K | C | -3.2027 | |
| 59 | L | C | -2.3089 | |
| 60 | N | C | -2.2496 | |
| 61 | I | C | 0.0000 | |
| 62 | D | C | -1.8686 | |
| 63 | I | C | 0.0000 | |
| 64 | T | C | 0.0000 | |
| 65 | F | C | 0.0000 | |
| 66 | L | C | -0.0335 | |
| 67 | I | C | 0.0000 | |
| 68 | G | C | -0.4195 | |
| 69 | L | C | 0.0000 | |
| 70 | S | C | -1.0535 | |
| 71 | K | C | -1.8702 | |
| 72 | K | C | -1.9429 | |
| 73 | Y | C | -1.2323 | |
| 74 | D | C | 0.0000 | |
| 75 | I | C | 0.0000 | |
| 76 | S | C | 0.0000 | |
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| 78 | G | C | -0.8543 | |
| 79 | D | C | 0.0000 | |
| 80 | S | C | -0.9528 | |
| 81 | R | C | -1.2918 | |
| 82 | V | C | 0.0000 | |
| 83 | R | C | -1.3981 | |
| 84 | S | C | -1.1084 | |
| 85 | K | C | -1.1527 | |
| 86 | G | C | 0.0000 | |
| 87 | I | C | -1.4316 | |
| 88 | E | C | -2.1614 | |
| 89 | F | C | -1.1400 | |
| 90 | L | C | 0.0000 | |
| 91 | K | C | -1.8878 | |
| 92 | N | C | -1.5149 | |
| 93 | A | C | 0.0000 | |
| 94 | V | C | 0.0000 | |
| 95 | K | C | -2.2352 | |
| 96 | E | C | -1.6641 | |
| 97 | T | C | 0.0000 | |
| 98 | H | C | -2.0260 | |
| 99 | R | C | -1.7480 | |
| 100 | L | C | 0.0000 | |
| 101 | G | C | -1.9224 | |
| 102 | G | C | 0.0000 | |
| 103 | N | C | -1.8554 | |
| 104 | Q | C | -1.0785 | |
| 105 | L | C | 0.0000 | |
| 106 | S | C | 0.0000 | |
| 107 | G | C | 0.0000 | |
| 108 | A | C | 0.0000 | |
| 109 | I | C | 0.0000 | |
| 110 | Y | C | 0.0000 | |
| 111 | G | C | 0.0000 | |
| 112 | A | C | 0.0000 | |
| 113 | W | C | -0.3258 | |
| 114 | G | C | -0.6514 | |
| 115 | A | C | -0.4059 | |
| 116 | S | C | -0.3234 | |
| 117 | L | C | 0.0000 | |
| 118 | N | C | -1.2474 | |
| 119 | P | C | -1.4306 | |
| 120 | G | C | -1.7086 | |
| 121 | E | C | -2.0131 | |
| 122 | K | C | -2.5280 | |
| 123 | D | C | -2.3779 | |
| 124 | K | C | 0.0000 | |
| 125 | S | C | -0.5235 | |
| 126 | L | C | 0.3335 | |
| 127 | Y | C | -0.4040 | |
| 128 | L | C | -1.0278 | |
| 129 | E | C | -1.9680 | |
| 130 | R | C | -1.9650 | |
| 131 | S | C | 0.0000 | |
| 132 | A | C | 0.0000 | |
| 133 | E | C | -3.1731 | |
| 134 | S | C | 0.0000 | |
| 135 | F | C | 0.0000 | |
| 136 | K | C | -2.8569 | |
| 137 | E | C | -3.4027 | |
| 138 | V | C | 0.0000 | |
| 139 | V | C | 0.0000 | |
| 140 | K | C | -3.2081 | |
| 141 | V | C | -2.3073 | |
| 142 | A | C | 0.0000 | |
| 143 | E | C | -2.6200 | |
| 144 | K | C | -2.5154 | |
| 145 | L | C | -1.5339 | |
| 146 | G | C | -1.2237 | |
| 147 | V | C | 0.0000 | |
| 148 | T | C | 0.0000 | |
| 149 | C | C | 0.0000 | |
| 150 | N | C | 0.0000 | |
| 151 | V | C | 0.0000 | |
| 152 | E | C | -0.2591 | |
| 153 | V | C | 0.0000 | |
| 154 | A | C | 0.0000 | |
| 155 | N | C | 0.0000 | |
| 156 | C | C | 0.0000 | |
| 157 | F | C | 0.1335 | |
| 158 | E | C | 0.0000 | |
| 159 | Q | C | 0.0000 | |
| 160 | F | C | 0.0000 | |
| 161 | M | C | 0.0000 | |
| 162 | L | C | 0.0000 | |
| 163 | N | C | 0.0000 | |
| 164 | T | C | -0.9094 | |
| 165 | A | C | 0.0000 | |
| 166 | E | C | -2.5100 | |
| 167 | E | C | -1.9117 | |
| 168 | A | C | 0.0000 | |
| 169 | K | C | -2.5282 | |
| 170 | E | C | -3.0337 | |
| 171 | F | C | 0.0000 | |
| 172 | I | C | 0.0000 | |
| 173 | K | C | -2.4937 | |
| 174 | M | C | -1.7671 | |
| 175 | V | C | 0.0000 | |
| 176 | G | C | -1.6667 | |
| 177 | S | C | -2.1795 | |
| 178 | D | C | -2.5115 | |
| 179 | R | C | -2.4239 | |
| 180 | L | C | 0.0000 | |
| 181 | K | C | -1.7148 | |
| 182 | I | C | 0.0000 | |
| 183 | H | C | 0.0000 | |
| 184 | L | C | 0.0000 | |
| 185 | D | C | 0.0000 | |
| 186 | T | C | 0.0000 | |
| 187 | F | C | 0.0000 | |
| 188 | H | C | 0.0000 | |
| 189 | M | C | 0.0000 | |
| 190 | N | C | 0.0000 | |
| 191 | I | C | 0.0000 | |
| 192 | E | C | 0.0000 | |
| 193 | E | C | 0.0000 | |
| 194 | D | C | -1.7163 | |
| 195 | S | C | -1.5365 | |
| 196 | F | C | 0.0000 | |
| 197 | S | C | -1.9600 | |
| 198 | K | C | -2.3838 | |
| 199 | A | C | 0.0000 | |
| 200 | I | C | 0.0000 | |
| 201 | K | C | -2.6999 | |
| 202 | L | C | -1.6249 | |
| 203 | A | C | 0.0000 | |
| 204 | G | C | -2.1342 | |
| 205 | D | C | -2.6684 | |
| 206 | D | C | -2.1652 | |
| 207 | L | C | 0.0000 | |
| 208 | G | C | -1.0674 | |
| 209 | H | C | 0.0000 | |
| 210 | F | C | 0.0000 | |
| 211 | H | C | 0.0000 | |
| 212 | I | C | 0.0000 | |
| 213 | G | C | 0.0000 | |
| 214 | E | C | 0.0000 | |
| 215 | N | C | 0.0000 | |
| 216 | N | C | 0.0000 | |
| 217 | R | C | 0.0000 | |
| 218 | K | C | -0.6911 | |
| 219 | L | C | 0.0000 | |
| 220 | P | C | 0.0000 | |
| 221 | G | C | -1.2117 | |
| 222 | R | C | -1.4638 | |
| 223 | G | C | -1.1764 | |
| 224 | H | C | -0.8269 | |
| 225 | L | C | 0.0000 | |
| 226 | P | C | -1.0722 | |
| 227 | W | C | 0.0000 | |
| 228 | E | C | -2.3286 | |
| 229 | E | C | -2.0444 | |
| 230 | I | C | 0.0000 | |
| 231 | M | C | 0.0000 | |
| 232 | G | C | -2.3272 | |
| 233 | A | C | 0.0000 | |
| 234 | L | C | 0.0000 | |
| 235 | K | C | -3.4157 | |
| 236 | E | C | -3.1951 | |
| 237 | I | C | -2.8065 | |
| 238 | K | C | -3.4948 | |
| 239 | Y | C | 0.0000 | |
| 240 | E | C | -2.6751 | |
| 241 | G | C | -1.3853 | |
| 242 | A | C | -0.9770 | |
| 243 | I | C | 0.0000 | |
| 244 | V | C | 0.0000 | |
| 245 | M | C | 0.0000 | |
| 246 | E | C | -0.2332 | |
| 247 | P | C | 0.0000 | |
| 248 | F | C | 0.0000 | |
| 249 | L | C | 0.0000 | |
| 250 | L | C | -0.6391 | |
| 251 | P | C | -1.3115 | |
| 252 | G | C | -1.6013 | |
| 253 | G | C | 0.0000 | |
| 254 | D | C | -1.4747 | |
| 255 | I | C | 0.0000 | |
| 256 | A | C | 0.0000 | |
| 257 | Q | C | -1.4994 | |
| 258 | D | C | -1.4889 | |
| 259 | V | C | 0.0000 | |
| 260 | C | C | -0.4389 | |
| 261 | V | C | 0.0000 | |
| 262 | W | C | 0.0000 | |
| 263 | R | C | -1.3288 | |
| 264 | N | C | -1.6637 | |
| 265 | L | C | -0.8052 | |
| 266 | D | C | -1.4692 | |
| 267 | I | C | -1.5052 | |
| 268 | K | C | -2.7064 | |
| 269 | N | C | -2.8786 | |
| 270 | K | C | -2.4920 | |
| 271 | D | C | -2.4716 | |
| 272 | E | C | -3.1913 | |
| 273 | E | C | -2.9667 | |
| 274 | A | C | 0.0000 | |
| 275 | K | C | -2.7708 | |
| 276 | K | C | -3.1967 | |
| 277 | A | C | 0.0000 | |
| 278 | K | C | 0.0000 | |
| 279 | E | C | -2.6156 | |
| 280 | Y | C | -1.3029 | |
| 281 | L | C | 0.0000 | |
| 282 | I | C | -1.1794 | |
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| 284 | L | C | -1.5830 | |
| 285 | L | C | 0.0000 | |
| 286 | K | C | -2.0049 | |
| 1 | M | D | -0.0798 | |
| 2 | N | D | 0.0000 | |
| 3 | K | D | -1.5277 | |
| 4 | M | D | 0.0000 | |
| 5 | G | D | 0.0000 | |
| 6 | I | D | 0.0000 | |
| 7 | H | D | 0.0000 | |
| 8 | F | D | 0.0000 | |
| 9 | G | D | 0.0000 | |
| 10 | Y | D | 0.0000 | |
| 11 | W | D | -0.2638 | |
| 12 | T | D | 0.0000 | |
| 13 | K | D | -1.0041 | |
| 14 | D | D | -0.7829 | |
| 15 | W | D | -0.3479 | |
| 16 | I | D | 0.0709 | |
| 17 | V | D | -0.0415 | |
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| 19 | F | D | 0.0000 | |
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| 22 | Y | D | 0.0000 | |
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| 30 | G | D | -1.6983 | |
| 31 | F | D | 0.0000 | |
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| 33 | I | D | 0.0000 | |
| 34 | I | D | 0.0000 | |
| 35 | E | D | 0.0000 | |
| 36 | Y | D | 0.0000 | |
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| 40 | A | D | 0.0000 | |
| 41 | I | D | 0.0000 | |
| 42 | M | D | -1.0321 | |
| 43 | D | D | -1.9228 | |
| 44 | S | D | -1.2032 | |
| 45 | P | D | -1.6556 | |
| 46 | Q | D | -2.6944 | |
| 47 | E | D | -2.7643 | |
| 48 | Y | D | -1.8624 | |
| 49 | Q | D | -2.4874 | |
| 50 | E | D | -3.5459 | |
| 51 | K | D | -3.4429 | |
| 52 | L | D | 0.0000 | |
| 53 | K | D | -2.9907 | |
| 54 | D | D | -3.3419 | |
| 55 | T | D | 0.0000 | |
| 56 | I | D | 0.0000 | |
| 57 | E | D | -3.5861 | |
| 58 | K | D | -3.1818 | |
| 59 | L | D | -2.3107 | |
| 60 | N | D | -2.2566 | |
| 61 | I | D | 0.0000 | |
| 62 | D | D | -1.8782 | |
| 63 | I | D | 0.0000 | |
| 64 | T | D | 0.0000 | |
| 65 | F | D | 0.0000 | |
| 66 | L | D | -0.0353 | |
| 67 | I | D | 0.0000 | |
| 68 | G | D | -0.4152 | |
| 69 | L | D | 0.0000 | |
| 70 | S | D | -1.0467 | |
| 71 | K | D | -1.8889 | |
| 72 | K | D | -1.9732 | |
| 73 | Y | D | -1.2567 | |
| 74 | D | D | -1.0273 | |
| 75 | I | D | 0.0000 | |
| 76 | S | D | 0.0000 | |
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| 78 | G | D | -0.9360 | |
| 79 | D | D | 0.0000 | |
| 80 | S | D | -0.9946 | |
| 81 | R | D | -1.3621 | |
| 82 | V | D | -1.1540 | |
| 83 | R | D | -1.4532 | |
| 84 | S | D | -1.1899 | |
| 85 | K | D | -1.3454 | |
| 86 | G | D | 0.0000 | |
| 87 | I | D | -1.4915 | |
| 88 | E | D | -2.2619 | |
| 89 | F | D | -1.2241 | |
| 90 | L | D | 0.0000 | |
| 91 | K | D | -1.9605 | |
| 92 | N | D | -1.5597 | |
| 93 | A | D | 0.0000 | |
| 94 | V | D | 0.0000 | |
| 95 | K | D | -2.1750 | |
| 96 | E | D | -1.6358 | |
| 97 | T | D | 0.0000 | |
| 98 | H | D | -1.9935 | |
| 99 | R | D | -1.6830 | |
| 100 | L | D | 0.0000 | |
| 101 | G | D | -1.9047 | |
| 102 | G | D | 0.0000 | |
| 103 | N | D | -1.8495 | |
| 104 | Q | D | -1.0672 | |
| 105 | L | D | 0.0000 | |
| 106 | S | D | 0.0000 | |
| 107 | G | D | 0.0000 | |
| 108 | A | D | 0.0000 | |
| 109 | I | D | 0.0000 | |
| 110 | Y | D | 0.0000 | |
| 111 | G | D | 0.0000 | |
| 112 | A | D | 0.0000 | |
| 113 | W | D | -0.3446 | |
| 114 | G | D | -0.6412 | |
| 115 | A | D | 0.0000 | |
| 116 | S | D | -0.2924 | |
| 117 | L | D | 0.0000 | |
| 118 | N | D | -1.0491 | |
| 119 | P | D | -1.3308 | |
| 120 | G | D | -1.6036 | |
| 121 | E | D | -1.9134 | |
| 122 | K | D | -2.5116 | |
| 123 | D | D | -2.4055 | |
| 124 | K | D | 0.0000 | |
| 125 | S | D | -0.6824 | |
| 126 | L | D | 0.0131 | |
| 127 | Y | D | -0.6399 | |
| 128 | L | D | -1.1780 | |
| 129 | E | D | -2.1499 | |
| 130 | R | D | -2.2234 | |
| 131 | S | D | 0.0000 | |
| 132 | A | D | 0.0000 | |
| 133 | E | D | -3.1692 | |
| 134 | S | D | 0.0000 | |
| 135 | F | D | 0.0000 | |
| 136 | K | D | -2.5852 | |
| 137 | E | D | -3.2165 | |
| 138 | V | D | 0.0000 | |
| 139 | V | D | 0.0000 | |
| 140 | K | D | -2.8044 | |
| 141 | V | D | -2.1099 | |
| 142 | A | D | 0.0000 | |
| 143 | E | D | -2.4434 | |
| 144 | K | D | -2.3886 | |
| 145 | L | D | -1.4501 | |
| 146 | G | D | -1.1911 | |
| 147 | V | D | 0.0000 | |
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| 149 | C | D | 0.0000 | |
| 150 | N | D | 0.0000 | |
| 151 | V | D | 0.0000 | |
| 152 | E | D | -0.2357 | |
| 153 | V | D | 0.0000 | |
| 154 | A | D | 0.0000 | |
| 155 | N | D | 0.0000 | |
| 156 | C | D | 0.0000 | |
| 157 | F | D | 0.1361 | |
| 158 | E | D | 0.0000 | |
| 159 | Q | D | 0.0000 | |
| 160 | F | D | 0.0000 | |
| 161 | M | D | 0.0000 | |
| 162 | L | D | 0.0000 | |
| 163 | N | D | 0.0000 | |
| 164 | T | D | -0.7838 | |
| 165 | A | D | 0.0000 | |
| 166 | E | D | -2.2438 | |
| 167 | E | D | -1.7796 | |
| 168 | A | D | 0.0000 | |
| 169 | K | D | -2.3899 | |
| 170 | E | D | -2.9537 | |
| 171 | F | D | 0.0000 | |
| 172 | I | D | 0.0000 | |
| 173 | K | D | -2.4758 | |
| 174 | M | D | -1.7364 | |
| 175 | V | D | 0.0000 | |
| 176 | G | D | -1.6137 | |
| 177 | S | D | -2.0506 | |
| 178 | D | D | -2.4446 | |
| 179 | R | D | -2.2483 | |
| 180 | L | D | 0.0000 | |
| 181 | K | D | -1.6077 | |
| 182 | I | D | 0.0000 | |
| 183 | H | D | 0.0000 | |
| 184 | L | D | 0.0000 | |
| 185 | D | D | 0.0000 | |
| 186 | T | D | 0.0000 | |
| 187 | F | D | 0.0000 | |
| 188 | H | D | 0.0000 | |
| 189 | M | D | 0.0000 | |
| 190 | N | D | 0.0000 | |
| 191 | I | D | 0.0000 | |
| 192 | E | D | 0.0000 | |
| 193 | E | D | 0.0000 | |
| 194 | D | D | -1.3425 | |
| 195 | S | D | -1.1498 | |
| 196 | F | D | 0.0000 | |
| 197 | S | D | -1.8574 | |
| 198 | K | D | -2.1199 | |
| 199 | A | D | 0.0000 | |
| 200 | I | D | 0.0000 | |
| 201 | K | D | -2.7782 | |
| 202 | L | D | -1.5705 | |
| 203 | A | D | 0.0000 | |
| 204 | G | D | -2.1822 | |
| 205 | D | D | -2.6904 | |
| 206 | D | D | -2.1462 | |
| 207 | L | D | 0.0000 | |
| 208 | G | D | -1.0158 | |
| 209 | H | D | 0.0000 | |
| 210 | F | D | 0.0000 | |
| 211 | H | D | 0.0000 | |
| 212 | I | D | 0.0000 | |
| 213 | G | D | 0.0000 | |
| 214 | E | D | 0.0000 | |
| 215 | N | D | 0.0000 | |
| 216 | N | D | 0.0000 | |
| 217 | R | D | 0.0000 | |
| 218 | K | D | -0.7255 | |
| 219 | L | D | 0.0000 | |
| 220 | P | D | 0.0000 | |
| 221 | G | D | -1.2659 | |
| 222 | R | D | -1.5748 | |
| 223 | G | D | -1.3370 | |
| 224 | H | D | -0.9278 | |
| 225 | L | D | 0.0000 | |
| 226 | P | D | -1.0952 | |
| 227 | W | D | 0.0000 | |
| 228 | E | D | -2.3100 | |
| 229 | E | D | -2.0344 | |
| 230 | I | D | 0.0000 | |
| 231 | M | D | 0.0000 | |
| 232 | G | D | -2.2172 | |
| 233 | A | D | 0.0000 | |
| 234 | L | D | 0.0000 | |
| 235 | K | D | -3.0701 | |
| 236 | E | D | -3.0624 | |
| 237 | I | D | -2.7585 | |
| 238 | K | D | -3.3719 | |
| 239 | Y | D | 0.0000 | |
| 240 | E | D | -2.5732 | |
| 241 | G | D | -1.3203 | |
| 242 | A | D | -0.9318 | |
| 243 | I | D | 0.0000 | |
| 244 | V | D | 0.0000 | |
| 245 | M | D | 0.0000 | |
| 246 | E | D | -0.2144 | |
| 247 | P | D | 0.0000 | |
| 248 | F | D | 0.0000 | |
| 249 | L | D | 0.0000 | |
| 250 | L | D | -0.6844 | |
| 251 | P | D | -1.3148 | |
| 252 | G | D | -1.6329 | |
| 253 | G | D | -1.3388 | |
| 254 | D | D | -1.3669 | |
| 255 | I | D | 0.0000 | |
| 256 | A | D | 0.0000 | |
| 257 | Q | D | -1.3723 | |
| 258 | D | D | -1.3973 | |
| 259 | V | D | 0.0000 | |
| 260 | C | D | -0.4014 | |
| 261 | V | D | 0.0000 | |
| 262 | W | D | 0.0000 | |
| 263 | R | D | -1.3266 | |
| 264 | N | D | -1.6725 | |
| 265 | L | D | -0.8076 | |
| 266 | D | D | -1.4743 | |
| 267 | I | D | -1.5148 | |
| 268 | K | D | -2.6662 | |
| 269 | N | D | -2.7784 | |
| 270 | K | D | -2.4251 | |
| 271 | D | D | -2.3782 | |
| 272 | E | D | -2.9350 | |
| 273 | E | D | -2.8653 | |
| 274 | A | D | 0.0000 | |
| 275 | K | D | -2.8977 | |
| 276 | K | D | -3.2456 | |
| 277 | A | D | 0.0000 | |
| 278 | K | D | -2.0081 | |
| 279 | E | D | -2.6670 | |
| 280 | Y | D | -1.2418 | |
| 281 | L | D | 0.0000 | |
| 282 | I | D | -0.9874 | |
| 283 | N | D | -1.5436 | |
| 284 | L | D | -1.3178 | |
| 285 | L | D | 0.0000 | |
| 286 | K | D | -1.7995 |
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