| Chain sequence(s) |
A: DIQMTQSPSSLSASVGDRVTITCRASQGIRNYLAWYQQKPGKAPKLLIYAASTLQSGVPSRFSGSGSGTDFTLTISSLQPEDVATYYCQRYNRAPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
C: EVQLVESGGGLVQPGRSLRLSCAASGFTFDDYAMHWVRQAPGKGLEWVSAITWNSGHIDYADSVEGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCAKVSYLSTASSLDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK B: DIQMTQSPSSLSASVGDRVTITCRASQGIRNYLAWYQQKPGKAPKLLIYAASTLQSGVPSRFSGSGSGTDFTLTISSLQPEDVATYYCQRYNRAPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC D: EVQLVESGGGLVQPGRSLRLSCAASGFTFDDYAMHWVRQAPGKGLEWVSAITWNSGHIDYADSVEGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCAKVSYLSTASSLDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK input PDB |
| Selected Chain(s) | A,C,B,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] (00:00:09)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:09)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:09)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:09)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:09)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:18:10)
[INFO] Main: Simulation completed successfully. (00:18:29)
|
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 | D | A | -2.1914 | |
| 2 | I | A | -2.0893 | |
| 3 | Q | A | -2.2574 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -1.4553 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.7251 | |
| 8 | P | A | -0.5731 | |
| 9 | S | A | -0.9908 | |
| 10 | S | A | -1.0761 | |
| 11 | L | A | -0.8004 | |
| 12 | S | A | -1.1574 | |
| 13 | A | A | -1.1061 | |
| 14 | S | A | -1.0238 | |
| 15 | V | A | -0.3318 | |
| 16 | G | A | -0.9030 | |
| 17 | D | A | -1.9700 | |
| 18 | R | A | -2.3705 | |
| 19 | V | A | 0.0000 | |
| 20 | T | A | -0.6312 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | -0.8369 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -2.8035 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -2.0457 | |
| 27 | Q | A | -2.5140 | |
| 28 | G | A | -2.0620 | |
| 29 | I | A | 0.0000 | |
| 30 | R | A | -2.3770 | |
| 31 | N | A | -1.2651 | |
| 32 | Y | A | -0.4454 | |
| 33 | L | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | W | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | Q | A | 0.0000 | |
| 38 | Q | A | -1.6050 | |
| 39 | K | A | -2.2387 | |
| 40 | P | A | -1.6739 | |
| 41 | G | A | -1.8770 | |
| 42 | K | A | -2.6716 | |
| 43 | A | A | -1.7741 | |
| 44 | P | A | 0.0000 | |
| 45 | K | A | -2.0310 | |
| 46 | L | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | Y | A | 0.0000 | |
| 50 | A | A | -0.2738 | |
| 51 | A | A | 0.0000 | |
| 52 | S | A | -0.3626 | |
| 53 | T | A | -0.2166 | |
| 54 | L | A | -0.2785 | |
| 55 | Q | A | -0.6175 | |
| 56 | S | A | -0.6101 | |
| 57 | G | A | -0.8442 | |
| 58 | V | A | 0.0000 | |
| 59 | P | A | -0.8921 | |
| 60 | S | A | -0.9314 | |
| 61 | R | A | -0.8680 | |
| 62 | F | A | 0.0000 | |
| 63 | S | A | -0.4026 | |
| 64 | G | A | -0.3556 | |
| 65 | S | A | -0.7029 | |
| 66 | G | A | -1.3304 | |
| 67 | S | A | -1.6180 | |
| 68 | G | A | -2.0162 | |
| 69 | T | A | -2.2256 | |
| 70 | D | A | -2.4195 | |
| 71 | F | A | 0.0000 | |
| 72 | T | A | -0.7641 | |
| 73 | L | A | 0.0000 | |
| 74 | T | A | -0.6140 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | -1.3240 | |
| 77 | S | A | -1.1841 | |
| 78 | L | A | 0.0000 | |
| 79 | Q | A | -0.9839 | |
| 80 | P | A | -1.7753 | |
| 81 | E | A | -2.1899 | |
| 82 | D | A | 0.0000 | |
| 83 | V | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | T | A | 0.0000 | |
| 86 | Y | A | 0.0000 | |
| 87 | Y | A | 0.0000 | |
| 88 | C | A | 0.0000 | |
| 89 | Q | A | 0.0000 | |
| 90 | R | A | 0.0000 | |
| 91 | Y | A | 0.0000 | |
| 92 | N | A | -1.3673 | |
| 93 | R | A | -1.9111 | |
| 94 | A | A | -1.1277 | |
| 95 | P | A | -1.3194 | |
| 96 | Y | A | 0.0000 | |
| 97 | T | A | -0.9971 | |
| 98 | F | A | 0.0000 | |
| 99 | G | A | 0.0000 | |
| 100 | Q | A | -1.9161 | |
| 101 | G | A | 0.0000 | |
| 102 | T | A | 0.0000 | |
| 103 | K | A | -2.1725 | |
| 104 | V | A | 0.0000 | |
| 105 | E | A | -1.6488 | |
| 106 | I | A | 0.0000 | |
| 107 | K | A | -1.3868 | |
| 108 | R | A | -0.8045 | |
| 109 | T | A | 0.1229 | |
| 110 | V | A | 0.8349 | |
| 111 | A | A | 0.2416 | |
| 112 | A | A | -0.0105 | |
| 113 | P | A | 0.0000 | |
| 114 | S | A | -0.2153 | |
| 115 | V | A | 0.0000 | |
| 116 | F | A | 0.0000 | |
| 117 | I | A | 0.0000 | |
| 118 | F | A | 0.0000 | |
| 119 | P | A | -0.5509 | |
| 120 | P | A | -0.8143 | |
| 121 | S | A | -1.8395 | |
| 122 | D | A | -3.1334 | |
| 123 | E | A | -3.0393 | |
| 124 | Q | A | 0.0000 | |
| 125 | L | A | -2.2979 | |
| 126 | K | A | -2.8768 | |
| 127 | S | A | -1.8034 | |
| 128 | G | A | -1.2917 | |
| 129 | T | A | -1.0839 | |
| 130 | A | A | 0.0000 | |
| 131 | S | A | 0.0000 | |
| 132 | V | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | C | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | N | A | 0.0000 | |
| 138 | N | A | -0.8071 | |
| 139 | F | A | 0.0000 | |
| 140 | Y | A | 0.0000 | |
| 141 | P | A | -1.2647 | |
| 142 | R | A | -2.2254 | |
| 143 | E | A | -2.8728 | |
| 144 | A | A | -2.1588 | |
| 145 | K | A | -2.4103 | |
| 146 | V | A | -1.1343 | |
| 147 | Q | A | -0.6935 | |
| 148 | W | A | 0.0000 | |
| 149 | K | A | -0.5567 | |
| 150 | V | A | 0.0000 | |
| 151 | D | A | -1.6347 | |
| 152 | N | A | -1.3188 | |
| 153 | A | A | -0.2381 | |
| 154 | L | A | 0.6833 | |
| 155 | Q | A | -0.2782 | |
| 156 | S | A | -0.6220 | |
| 157 | G | A | -1.2092 | |
| 158 | N | A | -1.4593 | |
| 159 | S | A | -1.3302 | |
| 160 | Q | A | -1.2810 | |
| 161 | E | A | -1.4430 | |
| 162 | S | A | -0.7776 | |
| 163 | V | A | -0.6151 | |
| 164 | T | A | 0.0000 | |
| 165 | E | A | -2.2124 | |
| 166 | Q | A | 0.0000 | |
| 167 | D | A | -2.1620 | |
| 168 | S | A | -2.4371 | |
| 169 | K | A | -2.6865 | |
| 170 | D | A | -2.0116 | |
| 171 | S | A | 0.0000 | |
| 172 | T | A | 0.0000 | |
| 173 | Y | A | 0.0000 | |
| 174 | S | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | S | A | 0.0000 | |
| 177 | S | A | 0.0000 | |
| 178 | T | A | -0.6312 | |
| 179 | L | A | 0.0000 | |
| 180 | T | A | -0.6474 | |
| 181 | L | A | -0.9005 | |
| 182 | S | A | -1.1699 | |
| 183 | K | A | -2.1477 | |
| 184 | A | A | -2.0308 | |
| 185 | D | A | -2.9051 | |
| 186 | Y | A | 0.0000 | |
| 187 | E | A | -3.3799 | |
| 188 | K | A | -3.5036 | |
| 189 | H | A | -2.5171 | |
| 190 | K | A | -2.2431 | |
| 191 | V | A | -0.8602 | |
| 192 | Y | A | 0.0000 | |
| 193 | A | A | 0.0000 | |
| 194 | C | A | 0.0000 | |
| 195 | E | A | -0.7174 | |
| 196 | V | A | 0.0000 | |
| 197 | T | A | -1.2506 | |
| 198 | H | A | 0.0000 | |
| 199 | Q | A | -1.5942 | |
| 200 | G | A | -0.2992 | |
| 201 | L | A | -0.1916 | |
| 202 | S | A | -0.4582 | |
| 203 | S | A | -0.4254 | |
| 204 | P | A | -0.6535 | |
| 205 | V | A | 0.0550 | |
| 206 | T | A | -0.4181 | |
| 207 | K | A | -0.8074 | |
| 208 | S | A | -0.6419 | |
| 209 | F | A | 0.0000 | |
| 210 | N | A | -1.4409 | |
| 211 | R | A | -1.9658 | |
| 212 | G | A | -1.6754 | |
| 213 | E | A | -1.9481 | |
| 214 | C | A | -0.9246 | |
| 1 | D | B | -2.1782 | |
| 2 | I | B | -2.0580 | |
| 3 | Q | B | -2.1273 | |
| 4 | M | B | 0.0000 | |
| 5 | T | B | -1.4386 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.7701 | |
| 8 | P | B | -0.6006 | |
| 9 | S | B | -0.9982 | |
| 10 | S | B | -1.0698 | |
| 11 | L | B | -0.7872 | |
| 12 | S | B | -1.1364 | |
| 13 | A | B | -1.1373 | |
| 14 | S | B | -1.1039 | |
| 15 | V | B | -0.4761 | |
| 16 | G | B | -0.9864 | |
| 17 | D | B | -1.9228 | |
| 18 | R | B | -2.4048 | |
| 19 | V | B | 0.0000 | |
| 20 | T | B | -0.6417 | |
| 21 | I | B | 0.0000 | |
| 22 | T | B | -0.8280 | |
| 23 | C | B | 0.0000 | |
| 24 | R | B | -2.7598 | |
| 25 | A | B | 0.0000 | |
| 26 | S | B | -2.0327 | |
| 27 | Q | B | -2.4971 | |
| 28 | G | B | -2.0514 | |
| 29 | I | B | 0.0000 | |
| 30 | R | B | -2.3781 | |
| 31 | N | B | -1.2612 | |
| 32 | Y | B | -0.4879 | |
| 33 | L | B | 0.0000 | |
| 34 | A | B | 0.0000 | |
| 35 | W | B | 0.0000 | |
| 36 | Y | B | 0.0000 | |
| 37 | Q | B | 0.0000 | |
| 38 | Q | B | -1.5262 | |
| 39 | K | B | -2.1982 | |
| 40 | P | B | -1.6779 | |
| 41 | G | B | -1.8639 | |
| 42 | K | B | -2.6400 | |
| 43 | A | B | -1.7332 | |
| 44 | P | B | 0.0000 | |
| 45 | K | B | -1.7926 | |
| 46 | L | B | 0.0000 | |
| 47 | L | B | 0.0000 | |
| 48 | I | B | 0.0000 | |
| 49 | Y | B | 0.0000 | |
| 50 | A | B | -0.2807 | |
| 51 | A | B | 0.0000 | |
| 52 | S | B | -0.3566 | |
| 53 | T | B | -0.2046 | |
| 54 | L | B | -0.3056 | |
| 55 | Q | B | -0.6065 | |
| 56 | S | B | -0.6461 | |
| 57 | G | B | -0.9332 | |
| 58 | V | B | 0.0000 | |
| 59 | P | B | -0.9576 | |
| 60 | S | B | -1.0562 | |
| 61 | R | B | -0.9412 | |
| 62 | F | B | 0.0000 | |
| 63 | S | B | -0.4056 | |
| 64 | G | B | -0.3519 | |
| 65 | S | B | -0.6855 | |
| 66 | G | B | -1.2946 | |
| 67 | S | B | -1.5808 | |
| 68 | G | B | -1.9800 | |
| 69 | T | B | -2.1612 | |
| 70 | D | B | -2.2950 | |
| 71 | F | B | 0.0000 | |
| 72 | T | B | -0.7416 | |
| 73 | L | B | 0.0000 | |
| 74 | T | B | -0.6200 | |
| 75 | I | B | 0.0000 | |
| 76 | S | B | -1.3608 | |
| 77 | S | B | -1.2501 | |
| 78 | L | B | 0.0000 | |
| 79 | Q | B | -1.1487 | |
| 80 | P | B | -1.8769 | |
| 81 | E | B | -2.3698 | |
| 82 | D | B | 0.0000 | |
| 83 | V | B | 0.0000 | |
| 84 | A | B | 0.0000 | |
| 85 | T | B | 0.0000 | |
| 86 | Y | B | 0.0000 | |
| 87 | Y | B | 0.0000 | |
| 88 | C | B | 0.0000 | |
| 89 | Q | B | 0.0000 | |
| 90 | R | B | 0.0000 | |
| 91 | Y | B | 0.0000 | |
| 92 | N | B | -1.4710 | |
| 93 | R | B | -1.9620 | |
| 94 | A | B | 0.0000 | |
| 95 | P | B | -1.3391 | |
| 96 | Y | B | 0.0000 | |
| 97 | T | B | -1.0007 | |
| 98 | F | B | 0.0000 | |
| 99 | G | B | 0.0000 | |
| 100 | Q | B | -1.7787 | |
| 101 | G | B | 0.0000 | |
| 102 | T | B | 0.0000 | |
| 103 | K | B | -2.1555 | |
| 104 | V | B | 0.0000 | |
| 105 | E | B | -1.6536 | |
| 106 | I | B | 0.0000 | |
| 107 | K | B | -1.4207 | |
| 108 | R | B | -0.9971 | |
| 109 | T | B | -0.1584 | |
| 110 | V | B | 0.2517 | |
| 111 | A | B | -0.1002 | |
| 112 | A | B | -0.1387 | |
| 113 | P | B | 0.0000 | |
| 114 | S | B | -0.2357 | |
| 115 | V | B | 0.0000 | |
| 116 | F | B | 0.0000 | |
| 117 | I | B | 0.0000 | |
| 118 | F | B | 0.0000 | |
| 119 | P | B | -0.5311 | |
| 120 | P | B | -0.7952 | |
| 121 | S | B | -1.8010 | |
| 122 | D | B | -3.0808 | |
| 123 | E | B | -2.9312 | |
| 124 | Q | B | 0.0000 | |
| 125 | L | B | -2.2956 | |
| 126 | K | B | -2.8435 | |
| 127 | S | B | -1.7808 | |
| 128 | G | B | -1.2876 | |
| 129 | T | B | -0.9834 | |
| 130 | A | B | 0.0000 | |
| 131 | S | B | 0.0000 | |
| 132 | V | B | 0.0000 | |
| 133 | V | B | 0.0000 | |
| 134 | C | B | 0.0000 | |
| 135 | L | B | 0.0000 | |
| 136 | L | B | 0.0000 | |
| 137 | N | B | 0.0000 | |
| 138 | N | B | -0.9710 | |
| 139 | F | B | 0.0000 | |
| 140 | Y | B | 0.0000 | |
| 141 | P | B | -1.7748 | |
| 142 | R | B | -3.0396 | |
| 143 | E | B | -3.2197 | |
| 144 | A | B | -2.3634 | |
| 145 | K | B | -2.5142 | |
| 146 | V | B | 0.0000 | |
| 147 | Q | B | -0.8025 | |
| 148 | W | B | 0.0000 | |
| 149 | K | B | -0.5846 | |
| 150 | V | B | 0.0000 | |
| 151 | D | B | -1.6973 | |
| 152 | N | B | -1.3300 | |
| 153 | A | B | -0.2447 | |
| 154 | L | B | 0.6729 | |
| 155 | Q | B | -0.2969 | |
| 156 | S | B | -0.6405 | |
| 157 | G | B | -1.2262 | |
| 158 | N | B | -1.4949 | |
| 159 | S | B | -1.3741 | |
| 160 | Q | B | -1.2876 | |
| 161 | E | B | -1.4905 | |
| 162 | S | B | -0.8002 | |
| 163 | V | B | -0.7603 | |
| 164 | T | B | -1.1994 | |
| 165 | E | B | -2.3818 | |
| 166 | Q | B | 0.0000 | |
| 167 | D | B | -2.2381 | |
| 168 | S | B | -2.4797 | |
| 169 | K | B | -2.6511 | |
| 170 | D | B | -1.8728 | |
| 171 | S | B | 0.0000 | |
| 172 | T | B | 0.0000 | |
| 173 | Y | B | 0.0000 | |
| 174 | S | B | 0.0000 | |
| 175 | L | B | 0.0000 | |
| 176 | S | B | 0.0000 | |
| 177 | S | B | 0.0000 | |
| 178 | T | B | -0.6392 | |
| 179 | L | B | 0.0000 | |
| 180 | T | B | -0.5764 | |
| 181 | L | B | -0.7287 | |
| 182 | S | B | -0.9572 | |
| 183 | K | B | -2.0097 | |
| 184 | A | B | -1.7769 | |
| 185 | D | B | -2.2433 | |
| 186 | Y | B | 0.0000 | |
| 187 | E | B | -3.4565 | |
| 188 | K | B | -3.4498 | |
| 189 | H | B | -2.5979 | |
| 190 | K | B | -2.3704 | |
| 191 | V | B | -0.8929 | |
| 192 | Y | B | 0.0000 | |
| 193 | A | B | 0.0000 | |
| 194 | C | B | 0.0000 | |
| 195 | E | B | -0.7618 | |
| 196 | V | B | 0.0000 | |
| 197 | T | B | -1.2606 | |
| 198 | H | B | 0.0000 | |
| 199 | Q | B | -1.7589 | |
| 200 | G | B | -0.4351 | |
| 201 | L | B | -0.2348 | |
| 202 | S | B | -0.4502 | |
| 203 | S | B | -0.4101 | |
| 204 | P | B | -0.5798 | |
| 205 | V | B | 0.0467 | |
| 206 | T | B | -0.4434 | |
| 207 | K | B | -0.7851 | |
| 208 | S | B | -0.6179 | |
| 209 | F | B | 0.0000 | |
| 210 | N | B | -1.4325 | |
| 211 | R | B | -2.0104 | |
| 212 | G | B | -1.6926 | |
| 213 | E | B | -1.9388 | |
| 214 | C | B | -0.7030 | |
| 1 | E | C | -2.1557 | |
| 2 | V | C | -1.4246 | |
| 3 | Q | C | -1.5000 | |
| 4 | L | C | 0.0000 | |
| 5 | V | C | 0.6253 | |
| 6 | E | C | 0.0000 | |
| 7 | S | C | 0.0000 | |
| 8 | G | C | 0.0000 | |
| 9 | G | C | 0.0000 | |
| 10 | G | C | -0.1038 | |
| 11 | L | C | -0.0162 | |
| 12 | V | C | 0.0000 | |
| 13 | Q | C | -2.1543 | |
| 14 | P | C | -2.2460 | |
| 15 | G | C | -2.2508 | |
| 16 | R | C | -2.8907 | |
| 17 | S | C | -1.9328 | |
| 18 | L | C | -1.0914 | |
| 19 | R | C | -1.0469 | |
| 20 | L | C | 0.0000 | |
| 21 | S | C | 0.0000 | |
| 22 | C | C | 0.0000 | |
| 23 | A | C | -0.0145 | |
| 24 | A | C | 0.0000 | |
| 25 | S | C | -1.0168 | |
| 26 | G | C | -1.3535 | |
| 27 | F | C | -0.7168 | |
| 28 | T | C | -0.6667 | |
| 29 | F | C | 0.0000 | |
| 30 | D | C | -1.7371 | |
| 31 | D | C | -1.2009 | |
| 32 | Y | C | 0.0000 | |
| 33 | A | C | 0.0000 | |
| 34 | M | C | 0.0000 | |
| 35 | H | C | 0.0000 | |
| 36 | W | C | 0.0000 | |
| 37 | V | C | 0.0000 | |
| 38 | R | C | 0.0000 | |
| 39 | Q | C | -0.8228 | |
| 40 | A | C | -1.2162 | |
| 41 | P | C | -0.9805 | |
| 42 | G | C | -1.4520 | |
| 43 | K | C | -2.3694 | |
| 44 | G | C | -1.6525 | |
| 45 | L | C | 0.0000 | |
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| 47 | W | C | 0.0000 | |
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| 50 | A | C | 0.0000 | |
| 51 | I | C | 0.0000 | |
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| 53 | W | C | -1.0968 | |
| 54 | N | C | -1.9261 | |
| 55 | S | C | -1.3112 | |
| 56 | G | C | -1.2287 | |
| 57 | H | C | -1.1637 | |
| 58 | I | C | -0.0197 | |
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| 60 | Y | C | -0.8181 | |
| 61 | A | C | 0.0000 | |
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| 65 | E | C | -2.7009 | |
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| 80 | Y | C | 0.0000 | |
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| 93 | V | C | 0.1694 | |
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| 99 | V | C | 0.0000 | |
| 100 | S | C | 0.0000 | |
| 101 | Y | C | 0.1784 | |
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| 105 | A | C | -0.4510 | |
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| 110 | Y | C | -0.4028 | |
| 111 | W | C | -0.5878 | |
| 112 | G | C | 0.0000 | |
| 113 | Q | C | -1.3765 | |
| 114 | G | C | 0.0000 | |
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| 125 | K | C | -1.0923 | |
| 126 | G | C | -1.0491 | |
| 127 | P | C | 0.0000 | |
| 128 | S | C | -0.4356 | |
| 129 | V | C | 0.0000 | |
| 130 | F | C | 0.0000 | |
| 131 | P | C | -1.0786 | |
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| 134 | P | C | 0.0000 | |
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| 137 | K | C | -1.0860 | |
| 138 | S | C | 0.0000 | |
| 139 | T | C | -0.7024 | |
| 140 | S | C | -0.7062 | |
| 141 | G | C | -0.7967 | |
| 142 | G | C | -0.8623 | |
| 143 | T | C | -0.5991 | |
| 144 | A | C | 0.0000 | |
| 145 | A | C | 0.0000 | |
| 146 | L | C | 0.0000 | |
| 147 | G | C | 0.0000 | |
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| 149 | L | C | 0.0000 | |
| 150 | V | C | 0.0000 | |
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| 152 | D | C | -0.3209 | |
| 153 | Y | C | 0.0000 | |
| 154 | F | C | 0.0000 | |
| 155 | P | C | 0.0000 | |
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| 157 | P | C | -0.3193 | |
| 158 | V | C | -0.3545 | |
| 159 | T | C | -0.3664 | |
| 160 | V | C | -0.1511 | |
| 161 | S | C | -0.3471 | |
| 162 | W | C | 0.0000 | |
| 163 | N | C | 0.0000 | |
| 164 | S | C | -0.4721 | |
| 165 | G | C | -0.4357 | |
| 166 | A | C | -0.3148 | |
| 167 | L | C | -0.1003 | |
| 168 | T | C | -0.2784 | |
| 169 | S | C | -0.3188 | |
| 170 | G | C | -0.2127 | |
| 171 | V | C | 0.1563 | |
| 172 | H | C | -0.2941 | |
| 173 | T | C | 0.0172 | |
| 174 | F | C | 0.0000 | |
| 175 | P | C | -0.2936 | |
| 176 | A | C | 0.2875 | |
| 177 | V | C | 0.5494 | |
| 178 | L | C | 1.1775 | |
| 179 | Q | C | 0.2935 | |
| 180 | S | C | -0.0774 | |
| 181 | S | C | -0.2228 | |
| 182 | G | C | -0.0008 | |
| 183 | L | C | 0.1574 | |
| 184 | Y | C | 0.4997 | |
| 185 | S | C | 0.0000 | |
| 186 | L | C | 0.0000 | |
| 187 | S | C | 0.0000 | |
| 188 | S | C | 0.0000 | |
| 189 | V | C | 0.0000 | |
| 190 | V | C | 0.0000 | |
| 191 | T | C | -0.1273 | |
| 192 | V | C | 0.0000 | |
| 193 | P | C | -0.5402 | |
| 194 | S | C | -0.5501 | |
| 195 | S | C | -0.4924 | |
| 196 | S | C | 0.0000 | |
| 197 | L | C | -0.5911 | |
| 198 | G | C | -0.7884 | |
| 199 | T | C | -0.5927 | |
| 200 | Q | C | -0.8183 | |
| 201 | T | C | -0.7254 | |
| 202 | Y | C | 0.0000 | |
| 203 | I | C | -1.0121 | |
| 204 | C | C | 0.0000 | |
| 205 | N | C | -1.3838 | |
| 206 | V | C | 0.0000 | |
| 207 | N | C | -1.4980 | |
| 208 | H | C | 0.0000 | |
| 209 | K | C | -1.4088 | |
| 210 | P | C | -0.8212 | |
| 211 | S | C | -1.1271 | |
| 212 | N | C | -1.7945 | |
| 213 | T | C | -1.3483 | |
| 214 | K | C | -2.3111 | |
| 215 | V | C | -1.5467 | |
| 216 | D | C | -2.6446 | |
| 217 | K | C | -1.9707 | |
| 218 | K | C | -2.2111 | |
| 219 | V | C | 0.0000 | |
| 220 | E | C | -2.7390 | |
| 221 | P | C | -1.7991 | |
| 222 | K | C | -2.4610 | |
| 223 | S | C | -1.7903 | |
| 224 | C | C | -1.2638 | |
| 225 | D | C | -2.6314 | |
| 226 | K | C | -2.7401 | |
| 227 | T | C | -1.7691 | |
| 228 | H | C | -1.6040 | |
| 229 | T | C | -0.5570 | |
| 230 | C | C | 0.2970 | |
| 231 | P | C | -0.1117 | |
| 232 | P | C | 0.0565 | |
| 233 | C | C | 0.3416 | |
| 234 | P | C | -0.8703 | |
| 235 | A | C | -0.3401 | |
| 236 | P | C | -0.8035 | |
| 237 | E | C | -1.3587 | |
| 238 | L | C | 1.1706 | |
| 239 | L | C | 1.4647 | |
| 240 | G | C | 0.3746 | |
| 241 | G | C | 0.0710 | |
| 242 | P | C | 0.0000 | |
| 243 | S | C | -0.0615 | |
| 244 | V | C | 0.0000 | |
| 245 | F | C | 1.2364 | |
| 246 | L | C | 1.0097 | |
| 247 | F | C | 1.3327 | |
| 248 | P | C | 0.2381 | |
| 249 | P | C | 0.0000 | |
| 250 | K | C | -1.1972 | |
| 251 | P | C | -0.8945 | |
| 252 | K | C | -0.8851 | |
| 253 | D | C | 0.0000 | |
| 254 | T | C | 0.0000 | |
| 255 | L | C | 0.0000 | |
| 256 | M | C | 0.3300 | |
| 257 | I | C | 1.4631 | |
| 258 | S | C | 0.0983 | |
| 259 | R | C | -0.9892 | |
| 260 | T | C | -0.4170 | |
| 261 | P | C | 0.0000 | |
| 262 | E | C | -0.2714 | |
| 263 | V | C | 0.0000 | |
| 264 | T | C | 0.0000 | |
| 265 | C | C | 0.0000 | |
| 266 | V | C | 0.0000 | |
| 267 | V | C | 0.0000 | |
| 268 | V | C | 0.0000 | |
| 269 | D | C | -1.0742 | |
| 270 | V | C | 0.0000 | |
| 271 | S | C | -2.0925 | |
| 272 | H | C | -2.3903 | |
| 273 | E | C | -2.9438 | |
| 274 | D | C | -2.5431 | |
| 275 | P | C | -2.6287 | |
| 276 | E | C | -3.0821 | |
| 277 | V | C | -1.9766 | |
| 278 | K | C | -2.2207 | |
| 279 | F | C | -1.0965 | |
| 280 | N | C | -1.0346 | |
| 281 | W | C | 0.0000 | |
| 282 | Y | C | -0.6453 | |
| 283 | V | C | -0.9487 | |
| 284 | D | C | -2.2012 | |
| 285 | G | C | -0.9386 | |
| 286 | V | C | 0.5657 | |
| 287 | E | C | -0.6375 | |
| 288 | V | C | -0.5612 | |
| 289 | H | C | -1.8788 | |
| 290 | N | C | -2.1512 | |
| 291 | A | C | -1.6558 | |
| 292 | K | C | -2.1654 | |
| 293 | T | C | -1.4530 | |
| 294 | K | C | -1.1208 | |
| 295 | P | C | -1.2740 | |
| 296 | R | C | -1.8842 | |
| 297 | E | C | -1.3166 | |
| 298 | E | C | -1.3528 | |
| 299 | Q | C | 0.0000 | |
| 300 | Y | C | 0.0531 | |
| 301 | N | C | -0.6374 | |
| 302 | S | C | 0.0000 | |
| 303 | T | C | -1.2936 | |
| 304 | Y | C | 0.0000 | |
| 305 | R | C | -1.0046 | |
| 306 | V | C | 0.0000 | |
| 307 | V | C | 0.0000 | |
| 308 | S | C | 0.0000 | |
| 309 | V | C | -0.5281 | |
| 310 | L | C | 0.0000 | |
| 311 | T | C | -0.4083 | |
| 312 | V | C | 0.0000 | |
| 313 | L | C | 0.4893 | |
| 314 | H | C | -0.1962 | |
| 315 | Q | C | -1.2185 | |
| 316 | D | C | -1.3233 | |
| 317 | W | C | 0.0000 | |
| 318 | L | C | -1.0435 | |
| 319 | N | C | -1.9762 | |
| 320 | G | C | 0.0000 | |
| 321 | K | C | -2.3411 | |
| 322 | E | C | -2.3621 | |
| 323 | Y | C | 0.0000 | |
| 324 | K | C | -1.4186 | |
| 325 | C | C | 0.0000 | |
| 326 | K | C | -1.1817 | |
| 327 | V | C | 0.0000 | |
| 328 | S | C | -1.3479 | |
| 329 | N | C | 0.0000 | |
| 330 | K | C | -2.5779 | |
| 331 | A | C | -1.1519 | |
| 332 | L | C | -0.2045 | |
| 333 | P | C | -0.3979 | |
| 334 | A | C | 0.0000 | |
| 335 | P | C | -0.7404 | |
| 336 | I | C | -0.3753 | |
| 337 | E | C | -1.2622 | |
| 338 | K | C | -0.8939 | |
| 339 | T | C | -0.9379 | |
| 340 | I | C | -0.2343 | |
| 341 | S | C | -1.0416 | |
| 342 | K | C | 0.0000 | |
| 343 | A | C | -0.6949 | |
| 344 | K | C | -1.5014 | |
| 345 | G | C | -1.2576 | |
| 346 | Q | C | -1.6208 | |
| 347 | P | C | -1.4177 | |
| 348 | R | C | -1.7265 | |
| 349 | E | C | -2.4694 | |
| 350 | P | C | 0.0000 | |
| 351 | Q | C | -1.2280 | |
| 352 | V | C | 0.0000 | |
| 353 | Y | C | 0.0000 | |
| 354 | T | C | -0.8365 | |
| 355 | L | C | 0.0000 | |
| 356 | P | C | -0.4233 | |
| 357 | P | C | -0.8985 | |
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| 359 | R | C | -2.6998 | |
| 360 | D | C | -2.8525 | |
| 361 | E | C | 0.0000 | |
| 362 | L | C | -1.9474 | |
| 363 | T | C | -1.7217 | |
| 364 | K | C | -2.3817 | |
| 365 | N | C | -2.5896 | |
| 366 | Q | C | -2.3230 | |
| 367 | V | C | 0.0000 | |
| 368 | S | C | 0.0000 | |
| 369 | L | C | 0.0000 | |
| 370 | T | C | 0.0000 | |
| 371 | C | C | 0.0000 | |
| 372 | L | C | 0.0000 | |
| 373 | V | C | 0.0000 | |
| 374 | K | C | -0.5542 | |
| 375 | G | C | -0.7968 | |
| 376 | F | C | 0.0000 | |
| 377 | Y | C | 0.0000 | |
| 378 | P | C | 0.0000 | |
| 379 | S | C | -0.3312 | |
| 380 | D | C | -0.8910 | |
| 381 | I | C | -0.4503 | |
| 382 | A | C | -0.4176 | |
| 383 | V | C | 0.0000 | |
| 384 | E | C | -1.1828 | |
| 385 | W | C | 0.0000 | |
| 386 | E | C | -1.8017 | |
| 387 | S | C | 0.0000 | |
| 388 | N | C | -1.8261 | |
| 389 | G | C | -1.7410 | |
| 390 | Q | C | -2.2968 | |
| 391 | P | C | -1.9315 | |
| 392 | E | C | -1.8183 | |
| 393 | N | C | -1.9263 | |
| 394 | N | C | -1.0955 | |
| 395 | Y | C | -0.7986 | |
| 396 | K | C | -0.5325 | |
| 397 | T | C | -0.2447 | |
| 398 | T | C | 0.0000 | |
| 399 | P | C | -0.0911 | |
| 400 | P | C | -0.0358 | |
| 401 | V | C | 0.2839 | |
| 402 | L | C | 0.1929 | |
| 403 | D | C | -0.1005 | |
| 404 | S | C | -0.1530 | |
| 405 | D | C | -0.4388 | |
| 406 | G | C | -0.1971 | |
| 407 | S | C | 0.0000 | |
| 408 | F | C | 0.1214 | |
| 409 | F | C | 0.0000 | |
| 410 | L | C | 0.0000 | |
| 411 | Y | C | 0.0000 | |
| 412 | S | C | 0.0000 | |
| 413 | K | C | 0.0000 | |
| 414 | L | C | 0.0000 | |
| 415 | T | C | -0.7838 | |
| 416 | V | C | 0.0000 | |
| 417 | D | C | -2.5310 | |
| 418 | K | C | -2.6848 | |
| 419 | S | C | -2.1962 | |
| 420 | R | C | -1.9322 | |
| 421 | W | C | 0.0000 | |
| 422 | Q | C | -2.1750 | |
| 423 | Q | C | -2.0117 | |
| 424 | G | C | -1.0598 | |
| 425 | N | C | -0.7105 | |
| 426 | V | C | 0.3980 | |
| 427 | F | C | 0.0000 | |
| 428 | S | C | -0.8765 | |
| 429 | C | C | 0.0000 | |
| 430 | S | C | 0.0000 | |
| 431 | V | C | 0.0000 | |
| 432 | M | C | 0.0000 | |
| 433 | H | C | 0.0000 | |
| 434 | E | C | -1.0379 | |
| 435 | A | C | -1.4082 | |
| 436 | L | C | -1.3827 | |
| 437 | H | C | -1.7632 | |
| 438 | N | C | -1.6666 | |
| 439 | H | C | -1.1582 | |
| 440 | Y | C | -0.5360 | |
| 441 | T | C | -0.9403 | |
| 442 | Q | C | -1.5666 | |
| 443 | K | C | -1.2704 | |
| 444 | S | C | -0.5526 | |
| 445 | L | C | 0.0000 | |
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| 449 | P | C | -1.2236 | |
| 450 | G | C | -1.4263 | |
| 451 | K | C | -2.0316 | |
| 1 | E | D | -2.1967 | |
| 2 | V | D | -1.4265 | |
| 3 | Q | D | -1.6156 | |
| 4 | L | D | 0.0000 | |
| 5 | V | D | 0.2245 | |
| 6 | E | D | 0.0000 | |
| 7 | S | D | 0.0000 | |
| 8 | G | D | 0.0000 | |
| 9 | G | D | 0.0000 | |
| 10 | G | D | -0.0730 | |
| 11 | L | D | -0.0378 | |
| 12 | V | D | 0.0000 | |
| 13 | Q | D | -2.1231 | |
| 14 | P | D | -2.2785 | |
| 15 | G | D | -2.2615 | |
| 16 | R | D | -2.8790 | |
| 17 | S | D | -1.9476 | |
| 18 | L | D | -1.0659 | |
| 19 | R | D | -1.0576 | |
| 20 | L | D | 0.0000 | |
| 21 | S | D | 0.0000 | |
| 22 | C | D | 0.0000 | |
| 23 | A | D | -0.2350 | |
| 24 | A | D | 0.0000 | |
| 25 | S | D | -1.1106 | |
| 26 | G | D | -1.3535 | |
| 27 | F | D | -0.6248 | |
| 28 | T | D | -0.4939 | |
| 29 | F | D | 0.0000 | |
| 30 | D | D | -1.1953 | |
| 31 | D | D | -0.9368 | |
| 32 | Y | D | 0.0000 | |
| 33 | A | D | 0.0000 | |
| 34 | M | D | 0.0000 | |
| 35 | H | D | 0.0000 | |
| 36 | W | D | 0.0000 | |
| 37 | V | D | 0.0000 | |
| 38 | R | D | 0.0000 | |
| 39 | Q | D | -0.8342 | |
| 40 | A | D | -1.2267 | |
| 41 | P | D | -0.9954 | |
| 42 | G | D | -1.4499 | |
| 43 | K | D | -2.3650 | |
| 44 | G | D | -1.6458 | |
| 45 | L | D | 0.0000 | |
| 46 | E | D | -1.1211 | |
| 47 | W | D | 0.0000 | |
| 48 | V | D | 0.0000 | |
| 49 | S | D | 0.0000 | |
| 50 | A | D | 0.0000 | |
| 51 | I | D | 0.0000 | |
| 52 | T | D | 0.0000 | |
| 53 | W | D | -0.8554 | |
| 54 | N | D | -1.7929 | |
| 55 | S | D | -1.2512 | |
| 56 | G | D | -1.2266 | |
| 57 | H | D | -1.1629 | |
| 58 | I | D | -0.0231 | |
| 59 | D | D | -0.6611 | |
| 60 | Y | D | -0.8401 | |
| 61 | A | D | 0.0000 | |
| 62 | D | D | -2.5344 | |
| 63 | S | D | -1.8009 | |
| 64 | V | D | 0.0000 | |
| 65 | E | D | -2.7466 | |
| 66 | G | D | -1.8262 | |
| 67 | R | D | -1.5841 | |
| 68 | F | D | 0.0000 | |
| 69 | T | D | -0.7014 | |
| 70 | I | D | 0.0000 | |
| 71 | S | D | -0.3141 | |
| 72 | R | D | -0.9132 | |
| 73 | D | D | -1.1679 | |
| 74 | N | D | -1.4152 | |
| 75 | A | D | -0.8290 | |
| 76 | K | D | -0.8663 | |
| 77 | N | D | -1.1855 | |
| 78 | S | D | -0.7092 | |
| 79 | L | D | 0.0000 | |
| 80 | Y | D | 0.0000 | |
| 81 | L | D | 0.0000 | |
| 82 | Q | D | -0.8087 | |
| 83 | M | D | 0.0000 | |
| 84 | N | D | -1.7845 | |
| 85 | S | D | -1.8469 | |
| 86 | L | D | 0.0000 | |
| 87 | R | D | -2.7502 | |
| 88 | A | D | -1.7973 | |
| 89 | E | D | -2.3004 | |
| 90 | D | D | 0.0000 | |
| 91 | T | D | -0.8307 | |
| 92 | A | D | 0.0000 | |
| 93 | V | D | 0.1479 | |
| 94 | Y | D | 0.0000 | |
| 95 | Y | D | 0.0000 | |
| 96 | C | D | 0.0000 | |
| 97 | A | D | 0.0000 | |
| 98 | K | D | 0.0000 | |
| 99 | V | D | 0.0000 | |
| 100 | S | D | 0.1286 | |
| 101 | Y | D | 0.1783 | |
| 102 | L | D | -0.0092 | |
| 103 | S | D | -0.0597 | |
| 104 | T | D | 0.0000 | |
| 105 | A | D | -0.4874 | |
| 106 | S | D | 0.0000 | |
| 107 | S | D | 0.0000 | |
| 108 | L | D | 0.0000 | |
| 109 | D | D | -0.3268 | |
| 110 | Y | D | -0.3726 | |
| 111 | W | D | 0.0000 | |
| 112 | G | D | 0.0000 | |
| 113 | Q | D | -1.4986 | |
| 114 | G | D | 0.0000 | |
| 115 | T | D | 0.0000 | |
| 116 | L | D | 0.0000 | |
| 117 | V | D | 0.0000 | |
| 118 | T | D | -0.5245 | |
| 119 | V | D | 0.0000 | |
| 120 | S | D | -0.7794 | |
| 121 | S | D | -0.6455 | |
| 122 | A | D | -0.4524 | |
| 123 | S | D | -0.5867 | |
| 124 | T | D | -0.6522 | |
| 125 | K | D | -1.1019 | |
| 126 | G | D | -1.0048 | |
| 127 | P | D | -0.5522 | |
| 128 | S | D | -0.4213 | |
| 129 | V | D | 0.0000 | |
| 130 | F | D | 0.0000 | |
| 131 | P | D | -1.0459 | |
| 132 | L | D | 0.0000 | |
| 133 | A | D | -1.2788 | |
| 134 | P | D | 0.0000 | |
| 135 | S | D | -0.9718 | |
| 136 | S | D | -0.7361 | |
| 137 | K | D | -1.0079 | |
| 138 | S | D | 0.0000 | |
| 139 | T | D | -0.6736 | |
| 140 | S | D | -0.6877 | |
| 141 | G | D | -0.7945 | |
| 142 | G | D | -0.8612 | |
| 143 | T | D | -0.6005 | |
| 144 | A | D | 0.0000 | |
| 145 | A | D | 0.0000 | |
| 146 | L | D | 0.0000 | |
| 147 | G | D | 0.0000 | |
| 148 | C | D | 0.0000 | |
| 149 | L | D | 0.0000 | |
| 150 | V | D | 0.0000 | |
| 151 | K | D | 0.0000 | |
| 152 | D | D | -0.3220 | |
| 153 | Y | D | 0.0000 | |
| 154 | F | D | 0.0000 | |
| 155 | P | D | 0.0000 | |
| 156 | E | D | -0.2341 | |
| 157 | P | D | -0.3323 | |
| 158 | V | D | -0.3347 | |
| 159 | T | D | -0.3370 | |
| 160 | V | D | -0.2622 | |
| 161 | S | D | -0.2819 | |
| 162 | W | D | 0.0000 | |
| 163 | N | D | 0.0000 | |
| 164 | S | D | -0.4305 | |
| 165 | G | D | -0.4203 | |
| 166 | A | D | -0.3598 | |
| 167 | L | D | -0.1356 | |
| 168 | T | D | -0.2900 | |
| 169 | S | D | -0.3074 | |
| 170 | G | D | -0.2088 | |
| 171 | V | D | 0.1677 | |
| 172 | H | D | -0.3211 | |
| 173 | T | D | 0.0076 | |
| 174 | F | D | 0.0000 | |
| 175 | P | D | -0.2585 | |
| 176 | A | D | 0.2940 | |
| 177 | V | D | 0.5712 | |
| 178 | L | D | 1.2380 | |
| 179 | Q | D | 0.3254 | |
| 180 | S | D | -0.0600 | |
| 181 | S | D | -0.2077 | |
| 182 | G | D | 0.0259 | |
| 183 | L | D | 0.1740 | |
| 184 | Y | D | 0.5173 | |
| 185 | S | D | 0.0000 | |
| 186 | L | D | 0.0000 | |
| 187 | S | D | 0.0000 | |
| 188 | S | D | 0.0000 | |
| 189 | V | D | 0.0000 | |
| 190 | V | D | 0.0000 | |
| 191 | T | D | -0.1186 | |
| 192 | V | D | 0.0000 | |
| 193 | P | D | -0.5505 | |
| 194 | S | D | -0.5599 | |
| 195 | S | D | -0.5087 | |
| 196 | S | D | -0.3856 | |
| 197 | L | D | -0.6082 | |
| 198 | G | D | -0.8002 | |
| 199 | T | D | -0.6218 | |
| 200 | Q | D | -0.8622 | |
| 201 | T | D | -0.7045 | |
| 202 | Y | D | 0.0000 | |
| 203 | I | D | -0.9402 | |
| 204 | C | D | 0.0000 | |
| 205 | N | D | 0.0000 | |
| 206 | V | D | 0.0000 | |
| 207 | N | D | -1.2623 | |
| 208 | H | D | 0.0000 | |
| 209 | K | D | -1.1640 | |
| 210 | P | D | -0.7557 | |
| 211 | S | D | -1.2533 | |
| 212 | N | D | -1.7096 | |
| 213 | T | D | -1.3074 | |
| 214 | K | D | -2.1640 | |
| 215 | V | D | -1.4792 | |
| 216 | D | D | -2.5285 | |
| 217 | K | D | -1.8883 | |
| 218 | K | D | -2.0616 | |
| 219 | V | D | 0.0000 | |
| 220 | E | D | -2.7097 | |
| 221 | P | D | -1.8760 | |
| 222 | K | D | -2.4685 | |
| 223 | S | D | -1.8065 | |
| 224 | C | D | -1.2556 | |
| 225 | D | D | -2.7020 | |
| 226 | K | D | -2.7363 | |
| 227 | T | D | -1.7688 | |
| 228 | H | D | -1.6001 | |
| 229 | T | D | -0.5538 | |
| 230 | C | D | 0.3023 | |
| 231 | P | D | -0.1070 | |
| 232 | P | D | 0.0642 | |
| 233 | C | D | 0.3313 | |
| 234 | P | D | -0.7727 | |
| 235 | A | D | -0.3363 | |
| 236 | P | D | -0.8489 | |
| 237 | E | D | -1.1528 | |
| 238 | L | D | 1.1544 | |
| 239 | L | D | 1.6318 | |
| 240 | G | D | 0.3521 | |
| 241 | G | D | 0.0266 | |
| 242 | P | D | 0.0000 | |
| 243 | S | D | -0.0157 | |
| 244 | V | D | 0.0000 | |
| 245 | F | D | 1.0559 | |
| 246 | L | D | 0.7129 | |
| 247 | F | D | 0.8112 | |
| 248 | P | D | -0.0844 | |
| 249 | P | D | 0.0000 | |
| 250 | K | D | -1.6505 | |
| 251 | P | D | -1.1466 | |
| 252 | K | D | -1.1934 | |
| 253 | D | D | 0.0000 | |
| 254 | T | D | 0.0000 | |
| 255 | L | D | 0.0000 | |
| 256 | M | D | 0.2665 | |
| 257 | I | D | 1.4218 | |
| 258 | S | D | 0.0502 | |
| 259 | R | D | -1.1469 | |
| 260 | T | D | -0.5767 | |
| 261 | P | D | 0.0000 | |
| 262 | E | D | -0.6907 | |
| 263 | V | D | 0.0000 | |
| 264 | T | D | 0.0000 | |
| 265 | C | D | 0.0000 | |
| 266 | V | D | 0.0000 | |
| 267 | V | D | 0.0000 | |
| 268 | V | D | -0.3232 | |
| 269 | D | D | -0.9888 | |
| 270 | V | D | 0.0000 | |
| 271 | S | D | -2.1604 | |
| 272 | H | D | -2.6607 | |
| 273 | E | D | -3.0872 | |
| 274 | D | D | -2.7450 | |
| 275 | P | D | -2.8628 | |
| 276 | E | D | -3.2392 | |
| 277 | V | D | -2.0709 | |
| 278 | K | D | -2.2328 | |
| 279 | F | D | -1.1348 | |
| 280 | N | D | -1.0430 | |
| 281 | W | D | 0.0000 | |
| 282 | Y | D | -0.6067 | |
| 283 | V | D | -0.8626 | |
| 284 | D | D | -2.1120 | |
| 285 | G | D | -0.8936 | |
| 286 | V | D | 0.5835 | |
| 287 | E | D | -0.6476 | |
| 288 | V | D | -0.5670 | |
| 289 | H | D | -1.8786 | |
| 290 | N | D | -2.1774 | |
| 291 | A | D | -1.7607 | |
| 292 | K | D | -2.2707 | |
| 293 | T | D | -1.6691 | |
| 294 | K | D | -1.4430 | |
| 295 | P | D | -1.6523 | |
| 296 | R | D | -2.5187 | |
| 297 | E | D | -1.6746 | |
| 298 | E | D | -1.7005 | |
| 299 | Q | D | 0.0000 | |
| 300 | Y | D | -0.2415 | |
| 301 | N | D | -0.7597 | |
| 302 | S | D | -0.9714 | |
| 303 | T | D | -1.4542 | |
| 304 | Y | D | 0.0000 | |
| 305 | R | D | 0.0000 | |
| 306 | V | D | 0.0000 | |
| 307 | V | D | 0.0000 | |
| 308 | S | D | 0.0000 | |
| 309 | V | D | 0.0000 | |
| 310 | L | D | 0.0000 | |
| 311 | T | D | -0.5708 | |
| 312 | V | D | 0.0000 | |
| 313 | L | D | 0.4710 | |
| 314 | H | D | -0.2303 | |
| 315 | Q | D | -1.2257 | |
| 316 | D | D | -1.2602 | |
| 317 | W | D | 0.0000 | |
| 318 | L | D | -1.1103 | |
| 319 | N | D | -1.9840 | |
| 320 | G | D | -1.8399 | |
| 321 | K | D | -2.2151 | |
| 322 | E | D | -2.0688 | |
| 323 | Y | D | 0.0000 | |
| 324 | K | D | -1.3646 | |
| 325 | C | D | 0.0000 | |
| 326 | K | D | -1.2581 | |
| 327 | V | D | 0.0000 | |
| 328 | S | D | -1.4424 | |
| 329 | N | D | 0.0000 | |
| 330 | K | D | -2.6825 | |
| 331 | A | D | -1.3152 | |
| 332 | L | D | 0.0000 | |
| 333 | P | D | -0.3081 | |
| 334 | A | D | 0.0000 | |
| 335 | P | D | -0.8842 | |
| 336 | I | D | -0.5118 | |
| 337 | E | D | -1.4128 | |
| 338 | K | D | -0.9844 | |
| 339 | T | D | -0.9385 | |
| 340 | I | D | -0.2232 | |
| 341 | S | D | -0.9991 | |
| 342 | K | D | 0.0000 | |
| 343 | A | D | -0.7958 | |
| 344 | K | D | -1.6395 | |
| 345 | G | D | -1.4391 | |
| 346 | Q | D | -1.9056 | |
| 347 | P | D | -1.5635 | |
| 348 | R | D | -1.7396 | |
| 349 | E | D | -2.4478 | |
| 350 | P | D | 0.0000 | |
| 351 | Q | D | -1.0857 | |
| 352 | V | D | 0.0000 | |
| 353 | Y | D | 0.0000 | |
| 354 | T | D | -0.8645 | |
| 355 | L | D | 0.0000 | |
| 356 | P | D | -0.4173 | |
| 357 | P | D | -0.8942 | |
| 358 | S | D | -1.5462 | |
| 359 | R | D | -2.6923 | |
| 360 | D | D | -2.8420 | |
| 361 | E | D | 0.0000 | |
| 362 | L | D | -1.9201 | |
| 363 | T | D | -1.6562 | |
| 364 | K | D | -2.2473 | |
| 365 | N | D | -2.5189 | |
| 366 | Q | D | -2.2831 | |
| 367 | V | D | 0.0000 | |
| 368 | S | D | 0.0000 | |
| 369 | L | D | 0.0000 | |
| 370 | T | D | 0.0000 | |
| 371 | C | D | 0.0000 | |
| 372 | L | D | 0.0000 | |
| 373 | V | D | 0.0000 | |
| 374 | K | D | -0.4933 | |
| 375 | G | D | -0.7332 | |
| 376 | F | D | 0.0000 | |
| 377 | Y | D | 0.0000 | |
| 378 | P | D | 0.0000 | |
| 379 | S | D | -0.3263 | |
| 380 | D | D | -1.0185 | |
| 381 | I | D | -0.5553 | |
| 382 | A | D | -0.5440 | |
| 383 | V | D | 0.0000 | |
| 384 | E | D | -1.2734 | |
| 385 | W | D | 0.0000 | |
| 386 | E | D | -1.7822 | |
| 387 | S | D | 0.0000 | |
| 388 | N | D | -1.7984 | |
| 389 | G | D | -1.7093 | |
| 390 | Q | D | -2.2980 | |
| 391 | P | D | -1.9491 | |
| 392 | E | D | -1.8271 | |
| 393 | N | D | -1.9322 | |
| 394 | N | D | -1.0973 | |
| 395 | Y | D | -0.7907 | |
| 396 | K | D | -0.4980 | |
| 397 | T | D | -0.2428 | |
| 398 | T | D | 0.0000 | |
| 399 | P | D | -0.0685 | |
| 400 | P | D | -0.0028 | |
| 401 | V | D | 0.3700 | |
| 402 | L | D | 0.5268 | |
| 403 | D | D | -0.0462 | |
| 404 | S | D | -0.1525 | |
| 405 | D | D | -0.4595 | |
| 406 | G | D | 0.0000 | |
| 407 | S | D | 0.0000 | |
| 408 | F | D | 0.1811 | |
| 409 | F | D | 0.0000 | |
| 410 | L | D | 0.0000 | |
| 411 | Y | D | 0.0000 | |
| 412 | S | D | 0.0000 | |
| 413 | K | D | 0.0000 | |
| 414 | L | D | 0.0000 | |
| 415 | T | D | -0.7746 | |
| 416 | V | D | 0.0000 | |
| 417 | D | D | -2.4996 | |
| 418 | K | D | -2.7058 | |
| 419 | S | D | -2.3063 | |
| 420 | R | D | -2.0402 | |
| 421 | W | D | 0.0000 | |
| 422 | Q | D | -2.4537 | |
| 423 | Q | D | -2.1696 | |
| 424 | G | D | -1.1738 | |
| 425 | N | D | -0.8498 | |
| 426 | V | D | 0.5920 | |
| 427 | F | D | 0.0000 | |
| 428 | S | D | -0.9850 | |
| 429 | C | D | 0.0000 | |
| 430 | S | D | 0.0000 | |
| 431 | V | D | 0.0000 | |
| 432 | M | D | 0.0000 | |
| 433 | H | D | 0.0000 | |
| 434 | E | D | -1.1159 | |
| 435 | A | D | -1.4505 | |
| 436 | L | D | -1.3645 | |
| 437 | H | D | -1.7624 | |
| 438 | N | D | -1.6660 | |
| 439 | H | D | -1.1785 | |
| 440 | Y | D | -0.5383 | |
| 441 | T | D | -0.9485 | |
| 442 | Q | D | -1.6429 | |
| 443 | K | D | -1.4013 | |
| 444 | S | D | -0.5418 | |
| 445 | L | D | 0.0000 | |
| 446 | S | D | -0.0220 | |
| 447 | L | D | -0.3306 | |
| 448 | S | D | -0.5597 | |
| 449 | P | D | -1.2338 | |
| 450 | G | D | -1.4187 | |
| 451 | K | D | -2.0307 |