| Chain sequence(s) |
A: KGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTLVQCFSRYPDHMKRHDFFKSAMPEGYVQERTISFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYITADKQKNGIKANFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGITH C: KGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTLVQCFSRYPDHMKRHDFFKSAMPEGYVQERTISFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYITADKQKNGIKANFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGITH B: KGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTLVQCFSRYPDHMKRHDFFKSAMPEGYVQERTISFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYITADKQKNGIKANFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGITH D: KGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTLVQCFSRYPDHMKRHDFFKSAMPEGYVQERTISFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYITADKQKNGIKANFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGITH |
| Distance of aggregation | 10 Å |
| Dynamic mode | No |
| Mutated residues | VA11K |
| Energy difference between WT (input) and mutated protein (by FoldX) | -0.359979 kcal/mol
Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive. |
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 | |
| 3 | K | A | -2.4320 | |
| 4 | G | A | 0.0000 | |
| 5 | E | A | -2.3956 | |
| 6 | E | A | -2.4776 | |
| 7 | L | A | -1.2653 | |
| 8 | F | A | 0.0000 | |
| 9 | T | A | -1.0028 | |
| 10 | G | A | -1.2057 | |
| 11 | K | A | -2.0789 | mutated: VA11K |
| 12 | V | A | 0.0000 | |
| 13 | P | A | -1.6810 | |
| 14 | I | A | 0.0000 | |
| 15 | L | A | -0.6582 | |
| 16 | V | A | 0.0000 | |
| 17 | E | A | -1.3101 | |
| 18 | L | A | 0.0000 | |
| 19 | D | A | -3.2614 | |
| 20 | G | A | 0.0000 | |
| 21 | D | A | -2.8210 | |
| 22 | V | A | 0.0000 | |
| 23 | N | A | -2.1097 | |
| 24 | G | A | -1.7120 | |
| 25 | H | A | -2.2373 | |
| 26 | K | A | -3.0037 | |
| 27 | F | A | 0.0000 | |
| 28 | S | A | -1.7559 | |
| 29 | V | A | 0.0000 | |
| 30 | S | A | -0.6253 | |
| 31 | G | A | 0.0000 | |
| 32 | E | A | -1.3198 | |
| 33 | G | A | -1.2194 | |
| 34 | E | A | -1.8957 | |
| 35 | G | A | 0.0000 | |
| 36 | D | A | 0.0000 | |
| 37 | A | A | 0.0000 | |
| 38 | T | A | -0.4869 | |
| 39 | Y | A | -0.5848 | |
| 40 | G | A | 0.0000 | |
| 41 | K | A | -1.0674 | |
| 42 | L | A | 0.0000 | |
| 43 | T | A | -0.8076 | |
| 44 | L | A | 0.0000 | |
| 45 | K | A | -0.7188 | |
| 46 | F | A | 0.0000 | |
| 47 | I | A | -0.3405 | |
| 48 | C | A | 0.0000 | |
| 49 | T | A | -0.7226 | |
| 50 | T | A | -1.1626 | |
| 51 | G | A | -1.2046 | |
| 52 | K | A | -2.0035 | |
| 53 | L | A | 0.0000 | |
| 54 | P | A | -1.2253 | |
| 55 | V | A | 0.0000 | |
| 56 | P | A | -0.6035 | |
| 57 | W | A | 0.0000 | |
| 58 | P | A | 0.0000 | |
| 59 | T | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | V | A | 0.0000 | |
| 62 | T | A | -0.0001 | |
| 63 | T | A | 0.0000 | |
| 64 | L | A | 0.0000 | |
| 68 | V | A | 0.0031 | |
| 69 | Q | A | -0.0988 | |
| 70 | C | A | 0.0000 | |
| 71 | F | A | 0.0000 | |
| 72 | S | A | 0.0000 | |
| 73 | R | A | -0.9388 | |
| 74 | Y | A | 0.0000 | |
| 75 | P | A | -1.7415 | |
| 76 | D | A | -2.7699 | |
| 77 | H | A | -2.1426 | |
| 78 | M | A | 0.0000 | |
| 79 | K | A | -2.7585 | |
| 80 | R | A | -2.8591 | |
| 81 | H | A | -1.7335 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | F | A | 0.0000 | |
| 85 | K | A | 0.0000 | |
| 86 | S | A | -1.1923 | |
| 87 | A | A | 0.0000 | |
| 88 | M | A | 0.0000 | |
| 89 | P | A | -1.3713 | |
| 90 | E | A | -1.9716 | |
| 91 | G | A | 0.0000 | |
| 92 | Y | A | 0.0000 | |
| 93 | V | A | -0.6945 | |
| 94 | Q | A | 0.0000 | |
| 95 | E | A | -2.4770 | |
| 96 | R | A | 0.0000 | |
| 97 | T | A | -1.0131 | |
| 98 | I | A | 0.0000 | |
| 99 | S | A | -1.0991 | |
| 100 | F | A | 0.0000 | |
| 101 | K | A | -2.3909 | |
| 102 | D | A | -2.8891 | |
| 103 | D | A | -2.8415 | |
| 104 | G | A | 0.0000 | |
| 105 | N | A | -1.5180 | |
| 106 | Y | A | 0.0000 | |
| 107 | K | A | -2.6242 | |
| 108 | T | A | 0.0000 | |
| 109 | R | A | -3.3403 | |
| 110 | A | A | 0.0000 | |
| 111 | E | A | -1.8408 | |
| 112 | V | A | 0.0000 | |
| 113 | K | A | -1.1093 | |
| 114 | F | A | -1.0889 | |
| 115 | E | A | -1.1462 | |
| 116 | G | A | -1.5336 | |
| 117 | D | A | -1.9918 | |
| 118 | T | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | V | A | 0.0000 | |
| 121 | N | A | 0.0000 | |
| 122 | R | A | -1.8447 | |
| 123 | I | A | 0.0000 | |
| 124 | E | A | -3.9358 | |
| 125 | L | A | 0.0000 | |
| 126 | K | A | -3.1909 | |
| 127 | G | A | 0.0000 | |
| 128 | I | A | -1.2544 | |
| 129 | D | A | -2.2763 | |
| 130 | F | A | 0.0000 | |
| 131 | K | A | -3.9563 | |
| 132 | E | A | -4.0011 | |
| 133 | D | A | -3.6593 | |
| 134 | G | A | -2.8716 | |
| 135 | N | A | -2.1845 | |
| 136 | I | A | 0.0000 | |
| 137 | L | A | -2.0616 | |
| 138 | G | A | -2.3974 | |
| 139 | H | A | -2.1424 | |
| 140 | K | A | -2.3763 | |
| 141 | L | A | -1.3075 | |
| 142 | E | A | -1.1587 | |
| 143 | Y | A | -0.2928 | |
| 144 | N | A | 0.0000 | |
| 145 | Y | A | 0.0000 | |
| 146 | N | A | 0.0000 | |
| 147 | S | A | 0.0000 | |
| 148 | H | A | 0.0000 | |
| 149 | N | A | -0.1490 | |
| 150 | V | A | 0.0000 | |
| 151 | Y | A | 0.3546 | |
| 152 | I | A | 0.0000 | |
| 153 | T | A | -1.2857 | |
| 154 | A | A | -1.8667 | |
| 155 | D | A | -2.3707 | |
| 156 | K | A | -3.2549 | |
| 157 | Q | A | -3.1578 | |
| 158 | K | A | -3.2944 | |
| 159 | N | A | -2.8663 | |
| 160 | G | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | K | A | -1.5138 | |
| 163 | A | A | 0.0000 | |
| 164 | N | A | -0.9380 | |
| 165 | F | A | 0.0000 | |
| 166 | K | A | -1.2006 | |
| 167 | I | A | 0.0000 | |
| 168 | R | A | -0.2462 | |
| 169 | H | A | 0.0000 | |
| 170 | N | A | -0.6307 | |
| 171 | I | A | 0.0000 | |
| 172 | E | A | -3.1153 | |
| 173 | D | A | -2.8770 | |
| 174 | G | A | -1.6870 | |
| 175 | S | A | -0.5992 | |
| 176 | V | A | 0.6485 | |
| 177 | Q | A | 0.0000 | |
| 178 | L | A | -0.4829 | |
| 179 | A | A | 0.0000 | |
| 180 | D | A | -0.9251 | |
| 181 | H | A | 0.0000 | |
| 182 | Y | A | -0.2080 | |
| 183 | Q | A | 0.0000 | |
| 184 | Q | A | -1.3636 | |
| 185 | N | A | 0.0000 | |
| 186 | T | A | -0.8418 | |
| 187 | P | A | -0.8753 | |
| 188 | I | A | -0.3476 | |
| 189 | G | A | -1.3015 | |
| 190 | D | A | -2.1192 | |
| 191 | G | A | -1.4796 | |
| 192 | P | A | -0.7949 | |
| 193 | V | A | -0.1061 | |
| 194 | L | A | -0.2436 | |
| 195 | L | A | -0.6632 | |
| 196 | P | A | 0.0000 | |
| 197 | D | A | -2.4925 | |
| 198 | N | A | -1.8715 | |
| 199 | H | A | 0.0000 | |
| 200 | Y | A | -0.0235 | |
| 201 | L | A | 0.0000 | |
| 202 | S | A | 0.0127 | |
| 203 | T | A | -0.1477 | |
| 204 | Q | A | 0.0000 | |
| 205 | S | A | -0.2043 | |
| 206 | A | A | 0.0000 | |
| 207 | L | A | 0.0000 | |
| 208 | S | A | -0.2900 | |
| 209 | K | A | -1.0669 | |
| 210 | D | A | -1.2854 | |
| 211 | P | A | -1.2958 | |
| 212 | N | A | -2.2608 | |
| 213 | E | A | -2.0549 | |
| 214 | K | A | -2.3139 | |
| 215 | R | A | -1.6347 | |
| 216 | D | A | -1.4634 | |
| 217 | H | A | 0.0000 | |
| 218 | M | A | 0.0000 | |
| 219 | V | A | -0.1349 | |
| 220 | L | A | 0.0000 | |
| 221 | L | A | 0.0000 | |
| 222 | E | A | -0.5040 | |
| 223 | F | A | 0.0000 | |
| 224 | V | A | 0.0000 | |
| 225 | T | A | -0.3730 | |
| 226 | A | A | 0.0000 | |
| 227 | A | A | -0.2197 | |
| 228 | G | A | -0.6690 | |
| 229 | I | A | -0.7392 | |
| 230 | T | A | -0.5729 | |
| 231 | H | A | -1.3143 | |
| 3 | K | B | -2.4376 | |
| 4 | G | B | 0.0000 | |
| 5 | E | B | -2.4226 | |
| 6 | E | B | -2.4630 | |
| 7 | L | B | -1.0926 | |
| 8 | F | B | 0.0000 | |
| 9 | T | B | -0.9511 | |
| 10 | G | B | 0.0000 | |
| 11 | V | B | 0.2893 | |
| 12 | V | B | 0.0000 | |
| 13 | P | B | -1.1384 | |
| 14 | I | B | 0.0000 | |
| 15 | L | B | -1.2001 | |
| 16 | V | B | 0.0000 | |
| 17 | E | B | -1.9841 | |
| 18 | L | B | 0.0000 | |
| 19 | D | B | -3.3263 | |
| 20 | G | B | 0.0000 | |
| 21 | D | B | -2.5583 | |
| 22 | V | B | 0.0000 | |
| 23 | N | B | -1.9993 | |
| 24 | G | B | -1.6807 | |
| 25 | H | B | -2.2327 | |
| 26 | K | B | -2.9236 | |
| 27 | F | B | 0.0000 | |
| 28 | S | B | -1.6172 | |
| 29 | V | B | 0.0000 | |
| 30 | S | B | -1.1699 | |
| 31 | G | B | 0.0000 | |
| 32 | E | B | -2.4236 | |
| 33 | G | B | -1.8203 | |
| 34 | E | B | -1.6772 | |
| 35 | G | B | 0.0000 | |
| 36 | D | B | -0.2248 | |
| 37 | A | B | 0.0000 | |
| 38 | T | B | -0.0126 | |
| 39 | Y | B | -0.1958 | |
| 40 | G | B | 0.0000 | |
| 41 | K | B | -0.7746 | |
| 42 | L | B | 0.0000 | |
| 43 | T | B | -1.0597 | |
| 44 | L | B | 0.0000 | |
| 45 | K | B | -1.5240 | |
| 46 | F | B | 0.0000 | |
| 47 | I | B | 0.0000 | |
| 48 | C | B | 0.0000 | |
| 49 | T | B | -0.7953 | |
| 50 | T | B | -1.1776 | |
| 51 | G | B | -1.6982 | |
| 52 | K | B | -2.2792 | |
| 53 | L | B | 0.0000 | |
| 54 | P | B | -1.1711 | |
| 55 | V | B | 0.0000 | |
| 56 | P | B | 0.0000 | |
| 57 | W | B | 0.0000 | |
| 58 | P | B | 0.0000 | |
| 59 | T | B | 0.0000 | |
| 60 | L | B | 0.0000 | |
| 61 | V | B | 0.1744 | |
| 62 | T | B | 0.0867 | |
| 63 | T | B | 0.0000 | |
| 64 | L | B | 0.0000 | |
| 68 | V | B | -0.0201 | |
| 69 | Q | B | -0.1669 | |
| 70 | C | B | 0.0000 | |
| 71 | F | B | 0.0000 | |
| 72 | S | B | 0.0000 | |
| 73 | R | B | -0.8869 | |
| 74 | Y | B | 0.0000 | |
| 75 | P | B | -1.8163 | |
| 76 | D | B | -2.9410 | |
| 77 | H | B | -2.2386 | |
| 78 | M | B | 0.0000 | |
| 79 | K | B | -3.3334 | |
| 80 | R | B | -3.0570 | |
| 81 | H | B | -2.1701 | |
| 82 | D | B | 0.0000 | |
| 83 | F | B | 0.0000 | |
| 84 | F | B | 0.0000 | |
| 85 | K | B | 0.0000 | |
| 86 | S | B | -1.3167 | |
| 87 | A | B | 0.0000 | |
| 88 | M | B | 0.0000 | |
| 89 | P | B | -1.7032 | |
| 90 | E | B | -2.3414 | |
| 91 | G | B | 0.0000 | |
| 92 | Y | B | 0.0000 | |
| 93 | V | B | -0.6874 | |
| 94 | Q | B | 0.0000 | |
| 95 | E | B | -1.8653 | |
| 96 | R | B | 0.0000 | |
| 97 | T | B | -1.3138 | |
| 98 | I | B | 0.0000 | |
| 99 | S | B | -1.9021 | |
| 100 | F | B | 0.0000 | |
| 101 | K | B | -2.9039 | |
| 102 | D | B | -3.0740 | |
| 103 | D | B | -2.8022 | |
| 104 | G | B | 0.0000 | |
| 105 | N | B | -1.7903 | |
| 106 | Y | B | 0.0000 | |
| 107 | K | B | -2.7635 | |
| 108 | T | B | 0.0000 | |
| 109 | R | B | -3.1895 | |
| 110 | A | B | 0.0000 | |
| 111 | E | B | -1.9625 | |
| 112 | V | B | 0.0000 | |
| 113 | K | B | -1.5386 | |
| 114 | F | B | -1.6408 | |
| 115 | E | B | -1.9741 | |
| 116 | G | B | -1.8737 | |
| 117 | D | B | -2.2325 | |
| 118 | T | B | -1.5982 | |
| 119 | L | B | 0.0000 | |
| 120 | V | B | 0.0000 | |
| 121 | N | B | 0.0000 | |
| 122 | R | B | -2.4991 | |
| 123 | I | B | 0.0000 | |
| 124 | E | B | -4.0410 | |
| 125 | L | B | 0.0000 | |
| 126 | K | B | -3.3030 | |
| 127 | G | B | 0.0000 | |
| 128 | I | B | -1.0185 | |
| 129 | D | B | -2.1583 | |
| 130 | F | B | 0.0000 | |
| 131 | K | B | -3.8990 | |
| 132 | E | B | -3.8707 | |
| 133 | D | B | -3.4866 | |
| 134 | G | B | 0.0000 | |
| 135 | N | B | -2.1700 | |
| 136 | I | B | 0.0000 | |
| 137 | L | B | -1.7495 | |
| 138 | G | B | -2.0490 | |
| 139 | H | B | -1.5963 | |
| 140 | K | B | -2.2265 | |
| 141 | L | B | -1.3359 | |
| 142 | E | B | -1.1967 | |
| 143 | Y | B | -0.2966 | |
| 144 | N | B | 0.0000 | |
| 145 | Y | B | 0.0000 | |
| 146 | N | B | 0.0000 | |
| 147 | S | B | 0.0000 | |
| 148 | H | B | 0.0000 | |
| 149 | N | B | -0.2966 | |
| 150 | V | B | 0.0000 | |
| 151 | Y | B | 0.5647 | |
| 152 | I | B | 0.0000 | |
| 153 | T | B | -1.1887 | |
| 154 | A | B | -1.8086 | |
| 155 | D | B | -2.2517 | |
| 156 | K | B | -3.1438 | |
| 157 | Q | B | -3.2125 | |
| 158 | K | B | -3.3944 | |
| 159 | N | B | -2.8973 | |
| 160 | G | B | 0.0000 | |
| 161 | I | B | 0.0000 | |
| 162 | K | B | -0.9498 | |
| 163 | A | B | 0.0000 | |
| 164 | N | B | -1.2792 | |
| 165 | F | B | -1.1341 | |
| 166 | K | B | -2.1142 | |
| 167 | I | B | 0.0000 | |
| 168 | R | B | -0.5944 | |
| 169 | H | B | 0.0000 | |
| 170 | N | B | -0.7717 | |
| 171 | I | B | 0.0000 | |
| 172 | E | B | -3.1135 | |
| 173 | D | B | -2.9831 | |
| 174 | G | B | -1.8363 | |
| 175 | S | B | -0.8198 | |
| 176 | V | B | 0.0217 | |
| 177 | Q | B | 0.0000 | |
| 178 | L | B | -1.1397 | |
| 179 | A | B | 0.0000 | |
| 180 | D | B | -2.6665 | |
| 181 | H | B | 0.0000 | |
| 182 | Y | B | -0.7362 | |
| 183 | Q | B | 0.0000 | |
| 184 | Q | B | -1.0958 | |
| 185 | N | B | 0.0000 | |
| 186 | T | B | -0.7535 | |
| 187 | P | B | -0.9634 | |
| 188 | I | B | -0.4857 | |
| 189 | G | B | -1.3989 | |
| 190 | D | B | -2.2629 | |
| 191 | G | B | -1.5782 | |
| 192 | P | B | -0.8596 | |
| 193 | V | B | -0.4086 | |
| 194 | L | B | -0.4416 | |
| 195 | L | B | -0.8104 | |
| 196 | P | B | 0.0000 | |
| 197 | D | B | -2.5391 | |
| 198 | N | B | -1.8517 | |
| 199 | H | B | 0.0000 | |
| 200 | Y | B | 0.0198 | |
| 201 | L | B | 0.0000 | |
| 202 | S | B | -0.0185 | |
| 203 | T | B | -0.2631 | |
| 204 | Q | B | 0.0000 | |
| 205 | S | B | 0.0000 | |
| 206 | A | B | 0.0000 | |
| 207 | L | B | 0.0000 | |
| 208 | S | B | -0.4282 | |
| 209 | K | B | -1.3661 | |
| 210 | D | B | -1.5859 | |
| 211 | P | B | -1.4876 | |
| 212 | N | B | -2.2499 | |
| 213 | E | B | -2.4940 | |
| 214 | K | B | -3.1170 | |
| 215 | R | B | -3.1056 | |
| 216 | D | B | -2.2388 | |
| 217 | H | B | 0.0000 | |
| 218 | M | B | 0.0000 | |
| 219 | V | B | -0.3367 | |
| 220 | L | B | 0.0000 | |
| 221 | L | B | -0.1660 | |
| 222 | E | B | -0.3946 | |
| 223 | F | B | 0.0000 | |
| 224 | V | B | 0.0000 | |
| 225 | T | B | -0.3250 | |
| 226 | A | B | 0.0000 | |
| 227 | A | B | -0.1870 | |
| 228 | G | B | -0.5383 | |
| 229 | I | B | -0.6415 | |
| 230 | T | B | -0.5465 | |
| 231 | H | B | -1.2624 | |
| 3 | K | C | -2.4516 | |
| 4 | G | C | 0.0000 | |
| 5 | E | C | -2.5015 | |
| 6 | E | C | -2.4756 | |
| 7 | L | C | -1.0319 | |
| 8 | F | C | 0.0000 | |
| 9 | T | C | -0.4181 | |
| 10 | G | C | 0.3349 | |
| 11 | V | C | 1.1881 | |
| 12 | V | C | 0.0000 | |
| 13 | P | C | -0.8829 | |
| 14 | I | C | 0.0000 | |
| 15 | L | C | -0.8382 | |
| 16 | V | C | 0.0000 | |
| 17 | E | C | -1.8730 | |
| 18 | L | C | 0.0000 | |
| 19 | D | C | -3.3914 | |
| 20 | G | C | 0.0000 | |
| 21 | D | C | -2.6726 | |
| 22 | V | C | 0.0000 | |
| 23 | N | C | -2.0809 | |
| 24 | G | C | -1.7479 | |
| 25 | H | C | -2.4305 | |
| 26 | K | C | -2.9888 | |
| 27 | F | C | 0.0000 | |
| 28 | S | C | -1.6680 | |
| 29 | V | C | 0.0000 | |
| 30 | S | C | -0.9445 | |
| 31 | G | C | 0.0000 | |
| 32 | E | C | -1.4351 | |
| 33 | G | C | -1.1477 | |
| 34 | E | C | -1.3230 | |
| 35 | G | C | 0.0000 | |
| 36 | D | C | -0.0425 | |
| 37 | A | C | 0.0000 | |
| 38 | T | C | 0.0414 | |
| 39 | Y | C | -0.1256 | |
| 40 | G | C | 0.0000 | |
| 41 | K | C | -0.7014 | |
| 42 | L | C | 0.0000 | |
| 43 | T | C | -0.9343 | |
| 44 | L | C | 0.0000 | |
| 45 | K | C | -1.2022 | |
| 46 | F | C | 0.0000 | |
| 47 | I | C | 0.0000 | |
| 48 | C | C | 0.0000 | |
| 49 | T | C | -0.9432 | |
| 50 | T | C | -1.3887 | |
| 51 | G | C | -1.5708 | |
| 52 | K | C | -1.9029 | |
| 53 | L | C | -1.2356 | |
| 54 | P | C | -1.1440 | |
| 55 | V | C | 0.0000 | |
| 56 | P | C | 0.0000 | |
| 57 | W | C | 0.0000 | |
| 58 | P | C | 0.0000 | |
| 59 | T | C | 0.0000 | |
| 60 | L | C | 0.0000 | |
| 61 | V | C | 0.0000 | |
| 62 | T | C | 0.0064 | |
| 63 | T | C | 0.0000 | |
| 64 | L | C | 0.0000 | |
| 68 | V | C | 0.0452 | |
| 69 | Q | C | -0.0416 | |
| 70 | C | C | 0.0000 | |
| 71 | F | C | 0.0000 | |
| 72 | S | C | 0.0000 | |
| 73 | R | C | -0.7645 | |
| 74 | Y | C | 0.0000 | |
| 75 | P | C | -1.8562 | |
| 76 | D | C | -2.8078 | |
| 77 | H | C | -2.1941 | |
| 78 | M | C | 0.0000 | |
| 79 | K | C | -3.3487 | |
| 80 | R | C | -3.1711 | |
| 81 | H | C | -1.9913 | |
| 82 | D | C | 0.0000 | |
| 83 | F | C | 0.0000 | |
| 84 | F | C | 0.0000 | |
| 85 | K | C | 0.0000 | |
| 86 | S | C | -1.2228 | |
| 87 | A | C | -1.0946 | |
| 88 | M | C | 0.0000 | |
| 89 | P | C | -1.9911 | |
| 90 | E | C | -2.6042 | |
| 91 | G | C | 0.0000 | |
| 92 | Y | C | 0.0000 | |
| 93 | V | C | -0.9105 | |
| 94 | Q | C | -1.5131 | |
| 95 | E | C | -2.2338 | |
| 96 | R | C | 0.0000 | |
| 97 | T | C | -0.8909 | |
| 98 | I | C | 0.0000 | |
| 99 | S | C | -1.2188 | |
| 100 | F | C | 0.0000 | |
| 101 | K | C | -2.4400 | |
| 102 | D | C | -2.9550 | |
| 103 | D | C | -2.8737 | |
| 104 | G | C | 0.0000 | |
| 105 | N | C | -1.3514 | |
| 106 | Y | C | 0.0000 | |
| 107 | K | C | -1.9620 | |
| 108 | T | C | 0.0000 | |
| 109 | R | C | -3.4197 | |
| 110 | A | C | 0.0000 | |
| 111 | E | C | -2.3329 | |
| 112 | V | C | 0.0000 | |
| 113 | K | C | -1.8315 | |
| 114 | F | C | 0.0000 | |
| 115 | E | C | -2.8262 | |
| 116 | G | C | -2.3333 | |
| 117 | D | C | -2.4830 | |
| 118 | T | C | -1.5912 | |
| 119 | L | C | 0.0000 | |
| 120 | V | C | 0.0000 | |
| 121 | N | C | 0.0000 | |
| 122 | R | C | -3.1785 | |
| 123 | I | C | 0.0000 | |
| 124 | E | C | -4.0777 | |
| 125 | L | C | 0.0000 | |
| 126 | K | C | -2.6613 | |
| 127 | G | C | 0.0000 | |
| 128 | I | C | -1.0325 | |
| 129 | D | C | -2.2668 | |
| 130 | F | C | 0.0000 | |
| 131 | K | C | -3.9275 | |
| 132 | E | C | -3.8703 | |
| 133 | D | C | -3.5907 | |
| 134 | G | C | -2.8112 | |
| 135 | N | C | -2.1982 | |
| 136 | I | C | 0.0000 | |
| 137 | L | C | -1.8853 | |
| 138 | G | C | -2.2687 | |
| 139 | H | C | -1.9337 | |
| 140 | K | C | -2.4287 | |
| 141 | L | C | 0.0000 | |
| 142 | E | C | -1.2952 | |
| 143 | Y | C | -0.2872 | |
| 144 | N | C | 0.0000 | |
| 145 | Y | C | 0.0000 | |
| 146 | N | C | 0.0000 | |
| 147 | S | C | 0.0000 | |
| 148 | H | C | 0.0000 | |
| 149 | N | C | -0.2327 | |
| 150 | V | C | 0.0000 | |
| 151 | Y | C | 0.3480 | |
| 152 | I | C | 0.0000 | |
| 153 | T | C | -1.1317 | |
| 154 | A | C | -1.7002 | |
| 155 | D | C | -2.2046 | |
| 156 | K | C | -3.1663 | |
| 157 | Q | C | -3.2238 | |
| 158 | K | C | -3.2384 | |
| 159 | N | C | -2.9629 | |
| 160 | G | C | 0.0000 | |
| 161 | I | C | 0.0000 | |
| 162 | K | C | -0.8708 | |
| 163 | A | C | 0.0000 | |
| 164 | N | C | -1.1469 | |
| 165 | F | C | 0.0000 | |
| 166 | K | C | -1.3993 | |
| 167 | I | C | 0.0000 | |
| 168 | R | C | -0.9148 | |
| 169 | H | C | 0.0000 | |
| 170 | N | C | -0.8660 | |
| 171 | I | C | 0.0000 | |
| 172 | E | C | -3.1276 | |
| 173 | D | C | -2.9260 | |
| 174 | G | C | -1.7869 | |
| 175 | S | C | -0.7762 | |
| 176 | V | C | 0.1708 | |
| 177 | Q | C | 0.0000 | |
| 178 | L | C | -0.9146 | |
| 179 | A | C | 0.0000 | |
| 180 | D | C | -1.4463 | |
| 181 | H | C | 0.0000 | |
| 182 | Y | C | -0.4418 | |
| 183 | Q | C | 0.0000 | |
| 184 | Q | C | -1.1559 | |
| 185 | N | C | 0.0000 | |
| 186 | T | C | -0.9991 | |
| 187 | P | C | -1.0159 | |
| 188 | I | C | -0.5704 | |
| 189 | G | C | -1.5100 | |
| 190 | D | C | -2.2383 | |
| 191 | G | C | -1.8323 | |
| 192 | P | C | -1.0387 | |
| 193 | V | C | -0.5970 | |
| 194 | L | C | -0.4361 | |
| 195 | L | C | -0.7717 | |
| 196 | P | C | 0.0000 | |
| 197 | D | C | -2.5192 | |
| 198 | N | C | -1.8793 | |
| 199 | H | C | 0.0000 | |
| 200 | Y | C | -0.0493 | |
| 201 | L | C | 0.0000 | |
| 202 | S | C | -0.0264 | |
| 203 | T | C | -0.2321 | |
| 204 | Q | C | 0.0000 | |
| 205 | S | C | 0.0000 | |
| 206 | A | C | 0.0000 | |
| 207 | L | C | 0.0000 | |
| 208 | S | C | 0.0000 | |
| 209 | K | C | -1.2680 | |
| 210 | D | C | -1.4815 | |
| 211 | P | C | -1.4055 | |
| 212 | N | C | -2.2271 | |
| 213 | E | C | -2.1310 | |
| 214 | K | C | -2.4834 | |
| 215 | R | C | -2.1585 | |
| 216 | D | C | -1.4718 | |
| 217 | H | C | 0.0000 | |
| 218 | M | C | 0.0000 | |
| 219 | V | C | -0.3329 | |
| 220 | L | C | 0.0000 | |
| 221 | L | C | -0.1864 | |
| 222 | E | C | -0.4324 | |
| 223 | F | C | 0.0000 | |
| 224 | V | C | 0.0000 | |
| 225 | T | C | -0.2854 | |
| 226 | A | C | 0.0000 | |
| 227 | A | C | -0.1901 | |
| 228 | G | C | -0.6763 | |
| 229 | I | C | -0.6487 | |
| 230 | T | C | -0.5322 | |
| 231 | H | C | -1.0739 | |
| 3 | K | D | -2.5211 | |
| 4 | G | D | 0.0000 | |
| 5 | E | D | -2.4343 | |
| 6 | E | D | -2.5549 | |
| 7 | L | D | -0.9730 | |
| 8 | F | D | 0.0000 | |
| 9 | T | D | -0.4119 | |
| 10 | G | D | 0.4066 | |
| 11 | V | D | 1.2206 | |
| 12 | V | D | 0.0000 | |
| 13 | P | D | -1.0366 | |
| 14 | I | D | 0.0000 | |
| 15 | L | D | -1.1468 | |
| 16 | V | D | 0.0000 | |
| 17 | E | D | -1.8346 | |
| 18 | L | D | 0.0000 | |
| 19 | D | D | -3.3459 | |
| 20 | G | D | 0.0000 | |
| 21 | D | D | -2.7871 | |
| 22 | V | D | 0.0000 | |
| 23 | N | D | -2.0389 | |
| 24 | G | D | -1.6427 | |
| 25 | H | D | -2.3017 | |
| 26 | K | D | -3.0278 | |
| 27 | F | D | 0.0000 | |
| 28 | S | D | -1.7352 | |
| 29 | V | D | 0.0000 | |
| 30 | S | D | -1.0008 | |
| 31 | G | D | 0.0000 | |
| 32 | E | D | -2.4158 | |
| 33 | G | D | -1.9731 | |
| 34 | E | D | -1.7543 | |
| 35 | G | D | 0.0000 | |
| 36 | D | D | -0.0659 | |
| 37 | A | D | 0.0000 | |
| 38 | T | D | 0.0005 | |
| 39 | Y | D | -0.1866 | |
| 40 | G | D | 0.0000 | |
| 41 | K | D | -0.5599 | |
| 42 | L | D | 0.0000 | |
| 43 | T | D | -1.0824 | |
| 44 | L | D | 0.0000 | |
| 45 | K | D | -1.4818 | |
| 46 | F | D | 0.0000 | |
| 47 | I | D | -0.8668 | |
| 48 | C | D | 0.0000 | |
| 49 | T | D | -0.7250 | |
| 50 | T | D | -1.1377 | |
| 51 | G | D | -1.6723 | |
| 52 | K | D | -2.2754 | |
| 53 | L | D | 0.0000 | |
| 54 | P | D | -1.2582 | |
| 55 | V | D | 0.0000 | |
| 56 | P | D | 0.0000 | |
| 57 | W | D | 0.0000 | |
| 58 | P | D | 0.0000 | |
| 59 | T | D | 0.0000 | |
| 60 | L | D | 0.0000 | |
| 61 | V | D | 0.0000 | |
| 62 | T | D | -0.0051 | |
| 63 | T | D | 0.0000 | |
| 64 | L | D | 0.0000 | |
| 68 | V | D | -0.0034 | |
| 69 | Q | D | -0.1049 | |
| 70 | C | D | 0.0000 | |
| 71 | F | D | 0.0000 | |
| 72 | S | D | 0.0000 | |
| 73 | R | D | -0.9198 | |
| 74 | Y | D | 0.0000 | |
| 75 | P | D | -1.7973 | |
| 76 | D | D | -2.8796 | |
| 77 | H | D | -2.2799 | |
| 78 | M | D | 0.0000 | |
| 79 | K | D | -3.0184 | |
| 80 | R | D | -2.9071 | |
| 81 | H | D | -1.8836 | |
| 82 | D | D | 0.0000 | |
| 83 | F | D | 0.0000 | |
| 84 | F | D | 0.0000 | |
| 85 | K | D | 0.0000 | |
| 86 | S | D | -1.3205 | |
| 87 | A | D | 0.0000 | |
| 88 | M | D | 0.0000 | |
| 89 | P | D | -1.4525 | |
| 90 | E | D | -2.3274 | |
| 91 | G | D | 0.0000 | |
| 92 | Y | D | 0.0000 | |
| 93 | V | D | -0.7150 | |
| 94 | Q | D | 0.0000 | |
| 95 | E | D | -2.2157 | |
| 96 | R | D | 0.0000 | |
| 97 | T | D | -0.9325 | |
| 98 | I | D | 0.0000 | |
| 99 | S | D | -1.2598 | |
| 100 | F | D | 0.0000 | |
| 101 | K | D | -2.5155 | |
| 102 | D | D | -3.1523 | |
| 103 | D | D | -2.7642 | |
| 104 | G | D | 0.0000 | |
| 105 | N | D | -1.3517 | |
| 106 | Y | D | 0.0000 | |
| 107 | K | D | -2.0086 | |
| 108 | T | D | 0.0000 | |
| 109 | R | D | -3.4810 | |
| 110 | A | D | 0.0000 | |
| 111 | E | D | -2.0819 | |
| 112 | V | D | 0.0000 | |
| 113 | K | D | -1.4654 | |
| 114 | F | D | -1.4498 | |
| 115 | E | D | -1.7247 | |
| 116 | G | D | -1.7547 | |
| 117 | D | D | -2.1270 | |
| 118 | T | D | -1.4040 | |
| 119 | L | D | 0.0000 | |
| 120 | V | D | 0.0000 | |
| 121 | N | D | 0.0000 | |
| 122 | R | D | -2.4717 | |
| 123 | I | D | 0.0000 | |
| 124 | E | D | -4.0400 | |
| 125 | L | D | 0.0000 | |
| 126 | K | D | -2.7806 | |
| 127 | G | D | 0.0000 | |
| 128 | I | D | -1.0555 | |
| 129 | D | D | -2.4398 | |
| 130 | F | D | 0.0000 | |
| 131 | K | D | -3.8763 | |
| 132 | E | D | -3.8375 | |
| 133 | D | D | -3.4837 | |
| 134 | G | D | 0.0000 | |
| 135 | N | D | -2.0844 | |
| 136 | I | D | 0.0000 | |
| 137 | L | D | -1.8144 | |
| 138 | G | D | -2.1580 | |
| 139 | H | D | -1.7598 | |
| 140 | K | D | -2.2407 | |
| 141 | L | D | -1.2819 | |
| 142 | E | D | -1.0795 | |
| 143 | Y | D | -0.1612 | |
| 144 | N | D | 0.0000 | |
| 145 | Y | D | 0.0000 | |
| 146 | N | D | 0.0000 | |
| 147 | S | D | -0.3652 | |
| 148 | H | D | -0.4619 | |
| 149 | N | D | -0.4249 | |
| 150 | V | D | 0.0000 | |
| 151 | Y | D | 0.5030 | |
| 152 | I | D | 0.0000 | |
| 153 | T | D | -1.2150 | |
| 154 | A | D | -1.8796 | |
| 155 | D | D | -2.3250 | |
| 156 | K | D | -3.2990 | |
| 157 | Q | D | -3.1554 | |
| 158 | K | D | -3.2777 | |
| 159 | N | D | -3.1461 | |
| 160 | G | D | 0.0000 | |
| 161 | I | D | 0.0000 | |
| 162 | K | D | -1.1482 | |
| 163 | A | D | 0.0000 | |
| 164 | N | D | -1.1251 | |
| 165 | F | D | 0.0000 | |
| 166 | K | D | -1.6880 | |
| 167 | I | D | 0.0000 | |
| 168 | R | D | -1.5592 | |
| 169 | H | D | 0.0000 | |
| 170 | N | D | -1.0742 | |
| 171 | I | D | 0.0000 | |
| 172 | E | D | -3.0882 | |
| 173 | D | D | -2.9598 | |
| 174 | G | D | -1.8623 | |
| 175 | S | D | -1.0066 | |
| 176 | V | D | -0.4020 | |
| 177 | Q | D | 0.0000 | |
| 178 | L | D | -1.1819 | |
| 179 | A | D | 0.0000 | |
| 180 | D | D | -1.5388 | |
| 181 | H | D | 0.0000 | |
| 182 | Y | D | -0.5340 | |
| 183 | Q | D | 0.0000 | |
| 184 | Q | D | -1.2033 | |
| 185 | N | D | 0.0000 | |
| 186 | T | D | -0.7567 | |
| 187 | P | D | -0.9575 | |
| 188 | I | D | -0.3996 | |
| 189 | G | D | -1.4244 | |
| 190 | D | D | -2.3260 | |
| 191 | G | D | -1.5719 | |
| 192 | P | D | -0.9079 | |
| 193 | V | D | -0.4605 | |
| 194 | L | D | -0.6319 | |
| 195 | L | D | -0.9220 | |
| 196 | P | D | 0.0000 | |
| 197 | D | D | -2.5196 | |
| 198 | N | D | -1.8445 | |
| 199 | H | D | 0.0000 | |
| 200 | Y | D | 0.0353 | |
| 201 | L | D | 0.0000 | |
| 202 | S | D | 0.0202 | |
| 203 | T | D | -0.1588 | |
| 204 | Q | D | 0.0000 | |
| 205 | S | D | -0.0909 | |
| 206 | A | D | 0.0000 | |
| 207 | L | D | 0.0000 | |
| 208 | S | D | -0.4196 | |
| 209 | K | D | -1.2923 | |
| 210 | D | D | -1.6900 | |
| 211 | P | D | -1.3810 | |
| 212 | N | D | -2.2784 | |
| 213 | E | D | -2.5494 | |
| 214 | K | D | -3.2644 | |
| 215 | R | D | -3.3591 | |
| 216 | D | D | -2.2126 | |
| 217 | H | D | 0.0000 | |
| 218 | M | D | 0.0000 | |
| 219 | V | D | -0.2869 | |
| 220 | L | D | 0.0000 | |
| 221 | L | D | -0.0161 | |
| 222 | E | D | -0.2325 | |
| 223 | F | D | -0.2422 | |
| 224 | V | D | 0.0000 | |
| 225 | T | D | -0.2890 | |
| 226 | A | D | 0.0000 | |
| 227 | A | D | -0.2884 | |
| 228 | G | D | -0.8237 | |
| 229 | I | D | -0.6542 | |
| 230 | T | D | -0.5614 | |
| 231 | H | D | -1.3291 |