FMODB: The database of quantum mechanical data based on the FMO method
Last updated: 2025-10-17
All entries: 77277
Number of unique PDB entries: 32023
FMODB ID: 9G912
Calculation Name: 2Y9Y-B-Xray372
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 2Y9Y
Chain ID: B
UniProt ID: P43596
Base Structure: X-ray
Registration Date: 2023-06-20
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptHSide |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Structure Preparation |
| Water | No |
| Procedure | Auto-FMO protocol ver. 2.20220422 |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 592 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -13017853.431072 |
|---|---|
| FMO2-HF: Nuclear repulsion | 12778951.060349 |
| FMO2-HF: Total energy | -238902.370722 |
| FMO2-MP2: Total energy | -239606.55963 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(B:138:VAL)
Summations of interaction energy for
fragment #1(B:138:VAL)
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| -6.576 | -2.094 | 3.158 | -3.008 | -4.635 | -0.002 |
Interaction energy analysis for fragmet #1(B:138:VAL)
| frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 3 | B | 140 | PRO | 0 | -0.031 | 0.005 | 3.807 | -0.483 | 1.918 | -0.033 | -1.238 | -1.131 | 0.001 |
| 4 | B | 141 | ALA | 0 | 0.033 | 0.010 | 6.359 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 5 | B | 142 | LEU | 0 | -0.038 | -0.027 | 9.858 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | B | 143 | ILE | 0 | 0.007 | 0.012 | 13.351 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | B | 144 | PRO | 0 | 0.070 | 0.020 | 16.824 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | B | 145 | SER | 0 | 0.029 | 0.021 | 19.743 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | B | 146 | ASN | 0 | -0.071 | -0.044 | 18.950 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | B | 147 | TRP | 0 | -0.008 | -0.008 | 16.281 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | B | 148 | THR | 0 | 0.060 | 0.051 | 21.547 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | B | 149 | SER | 0 | 0.021 | 0.023 | 24.680 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | B | 150 | VAL | 0 | -0.093 | -0.053 | 26.625 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | B | 151 | ILE | 0 | 0.032 | 0.014 | 28.313 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | B | 152 | PRO | 0 | -0.047 | 0.000 | 28.495 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | B | 153 | LEU | 0 | 0.024 | 0.018 | 28.705 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | B | 154 | LEU | 0 | -0.029 | -0.003 | 32.078 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | B | 155 | THR | 0 | 0.004 | -0.022 | 33.091 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | B | 156 | SER | 0 | 0.031 | 0.002 | 35.888 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | B | 157 | ASP | -1 | -0.865 | -0.914 | 34.492 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | B | 158 | PHE | 0 | -0.002 | -0.001 | 32.137 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | B | 159 | LYS | 1 | 0.798 | 0.921 | 37.098 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | B | 160 | ASN | 0 | 0.047 | 0.019 | 39.677 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | B | 161 | GLN | 0 | 0.016 | 0.006 | 39.792 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | B | 162 | TYR | 0 | -0.007 | -0.008 | 43.413 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | B | 163 | SER | 0 | -0.056 | -0.035 | 44.324 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | B | 164 | VAL | 0 | 0.036 | 0.035 | 46.525 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | B | 165 | ILE | 0 | -0.060 | -0.027 | 47.746 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | B | 166 | SER | 0 | 0.085 | 0.030 | 51.054 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | B | 167 | ARG | 1 | 0.917 | 0.981 | 47.444 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | B | 168 | LEU | 0 | 0.039 | 0.001 | 48.355 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | B | 169 | LYS | 1 | 0.969 | 0.999 | 53.023 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | B | 170 | ASN | 0 | 0.008 | 0.003 | 53.788 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | B | 171 | PRO | 0 | 0.083 | 0.025 | 57.373 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | B | 172 | ASN | 0 | 0.001 | 0.002 | 55.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | B | 173 | MET | 0 | -0.110 | -0.028 | 51.557 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | B | 174 | LYS | 1 | 0.865 | 0.919 | 55.954 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | B | 175 | PRO | 0 | 0.019 | 0.003 | 56.822 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | B | 176 | VAL | 0 | -0.001 | 0.009 | 56.130 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | B | 177 | PRO | 0 | 0.033 | 0.033 | 56.406 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | B | 178 | TYR | 0 | 0.003 | -0.027 | 57.160 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | B | 179 | ALA | 0 | 0.013 | 0.006 | 53.563 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | B | 180 | GLY | 0 | 0.008 | -0.008 | 51.938 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | B | 181 | ASP | -1 | -0.809 | -0.886 | 52.313 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | B | 182 | ILE | 0 | 0.012 | 0.006 | 54.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | B | 183 | ILE | 0 | 0.000 | 0.005 | 48.465 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | B | 184 | LYS | 1 | 0.796 | 0.898 | 49.517 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | B | 185 | LEU | 0 | -0.007 | 0.001 | 50.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | B | 186 | MET | 0 | -0.007 | 0.019 | 50.306 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | B | 187 | ALA | 0 | -0.040 | -0.029 | 46.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | B | 188 | PHE | 0 | -0.023 | -0.014 | 47.020 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | B | 189 | ILE | 0 | 0.003 | 0.003 | 48.906 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | B | 190 | ASN | 0 | 0.009 | -0.003 | 43.206 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | B | 191 | LYS | 1 | 0.774 | 0.886 | 40.893 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | B | 192 | PHE | 0 | -0.039 | -0.023 | 44.942 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | B | 193 | SER | 0 | 0.025 | 0.031 | 46.227 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | B | 194 | SER | 0 | -0.041 | -0.022 | 46.861 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | B | 195 | PHE | 0 | -0.041 | -0.030 | 47.552 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | B | 196 | PHE | 0 | 0.007 | 0.017 | 51.436 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | B | 197 | HIS | 0 | 0.063 | 0.039 | 53.534 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | B | 198 | SER | 0 | 0.043 | 0.001 | 53.715 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | B | 199 | ASP | -1 | -0.868 | -0.929 | 54.560 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | B | 200 | LEU | 0 | -0.009 | 0.000 | 55.366 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | B | 201 | GLN | 0 | -0.033 | -0.019 | 49.604 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | B | 202 | ASN | 0 | 0.000 | -0.015 | 51.015 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | B | 203 | LEU | 0 | -0.029 | 0.005 | 53.210 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | B | 204 | SER | 0 | 0.000 | -0.016 | 53.268 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | B | 205 | PHE | 0 | 0.006 | -0.017 | 53.014 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | B | 206 | GLN | 0 | 0.023 | -0.012 | 54.967 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | B | 207 | ASP | -1 | -0.797 | -0.879 | 57.777 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | B | 208 | PHE | 0 | 0.041 | -0.003 | 54.839 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | B | 209 | GLU | -1 | -0.789 | -0.878 | 58.957 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | B | 210 | VAL | 0 | 0.046 | 0.019 | 61.536 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | B | 211 | GLY | 0 | -0.025 | 0.003 | 62.842 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | B | 212 | LEU | 0 | -0.065 | -0.058 | 61.394 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | B | 213 | ASP | -1 | -0.868 | -0.909 | 64.932 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | B | 214 | LEU | 0 | -0.043 | -0.016 | 60.655 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | B | 215 | TYR | 0 | 0.052 | 0.011 | 63.742 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | B | 216 | PRO | 0 | 0.003 | 0.013 | 59.354 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | B | 217 | GLY | 0 | 0.004 | -0.008 | 60.637 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | B | 218 | ASP | -1 | -0.803 | -0.910 | 62.076 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | B | 219 | PRO | 0 | -0.055 | -0.035 | 61.236 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | B | 220 | ASN | 0 | -0.058 | -0.022 | 62.035 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | B | 221 | GLY | 0 | -0.017 | -0.012 | 63.302 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | B | 222 | SER | 0 | -0.044 | -0.020 | 63.273 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | B | 223 | ALA | 0 | -0.041 | -0.039 | 64.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | B | 224 | ALA | 0 | 0.008 | 0.000 | 66.661 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | B | 225 | GLY | 0 | 0.033 | 0.014 | 68.575 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | B | 226 | ILE | 0 | -0.072 | -0.029 | 64.507 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | B | 227 | VAL | 0 | -0.007 | -0.009 | 64.091 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | B | 228 | LYS | 1 | 0.900 | 0.966 | 65.797 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | B | 229 | GLY | 0 | 0.028 | 0.020 | 65.266 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | B | 230 | PRO | 0 | -0.019 | -0.025 | 62.374 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | B | 231 | GLU | -1 | -0.984 | -0.992 | 64.489 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | B | 232 | ASP | -1 | -0.785 | -0.890 | 68.045 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | B | 233 | THR | 0 | -0.145 | -0.065 | 69.482 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | B | 234 | SER | 0 | 0.023 | 0.019 | 70.834 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | B | 235 | LEU | 0 | -0.071 | -0.038 | 70.298 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | B | 236 | LEU | 0 | -0.051 | -0.020 | 69.569 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | B | 237 | LEU | 0 | 0.085 | 0.037 | 69.770 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | B | 238 | TYR | 0 | -0.003 | -0.039 | 63.631 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | B | 239 | PRO | 0 | -0.058 | -0.041 | 69.190 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | B | 240 | ASP | -1 | -0.824 | -0.906 | 72.302 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | B | 241 | PHE | 0 | -0.062 | -0.017 | 64.689 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | B | 242 | MET | 0 | -0.047 | -0.026 | 64.012 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | B | 243 | ALA | 0 | 0.046 | 0.036 | 69.142 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | B | 244 | ILE | 0 | 0.075 | 0.019 | 70.132 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | B | 245 | LYS | 1 | 0.867 | 0.932 | 66.237 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | B | 246 | ASP | -1 | -0.826 | -0.921 | 66.294 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | B | 247 | ILE | 0 | 0.042 | 0.029 | 66.000 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | B | 248 | VAL | 0 | 0.002 | -0.011 | 67.120 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | B | 249 | TYR | 0 | -0.110 | -0.064 | 60.699 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | B | 250 | CYS | 0 | -0.010 | -0.005 | 62.790 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | B | 251 | GLN | 0 | 0.000 | -0.008 | 63.365 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | B | 252 | ASP | -1 | -0.852 | -0.924 | 65.271 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | B | 253 | LYS | 1 | 0.776 | 0.901 | 58.100 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | B | 254 | MET | 0 | 0.044 | 0.034 | 58.847 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | B | 255 | ASN | 0 | 0.056 | 0.029 | 62.155 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | B | 256 | LEU | 0 | -0.009 | 0.013 | 60.023 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | B | 257 | LEU | 0 | 0.008 | 0.000 | 56.091 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | B | 258 | PHE | 0 | 0.002 | -0.020 | 59.501 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | B | 259 | LEU | 0 | -0.026 | -0.017 | 62.037 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | B | 260 | SER | 0 | -0.004 | -0.035 | 57.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | B | 261 | LEU | 0 | -0.026 | -0.010 | 55.364 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | B | 262 | LEU | 0 | -0.024 | -0.008 | 58.537 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | B | 263 | ASP | -1 | -0.836 | -0.904 | 60.917 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | B | 264 | LEU | 0 | 0.029 | 0.033 | 53.200 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | B | 265 | THR | 0 | -0.037 | -0.026 | 56.547 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | B | 266 | PHE | 0 | -0.069 | -0.027 | 58.135 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | B | 267 | THR | 0 | -0.092 | -0.081 | 61.417 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | B | 268 | GLU | -1 | -0.910 | -0.936 | 56.638 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | B | 269 | ASN | 0 | 0.012 | 0.001 | 57.371 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | B | 270 | PHE | 0 | -0.053 | -0.014 | 58.534 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | B | 271 | ASP | -1 | -0.752 | -0.872 | 55.013 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | B | 272 | GLY | 0 | 0.044 | 0.025 | 56.233 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | B | 273 | LYS | 1 | 0.788 | 0.895 | 51.219 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | B | 274 | SER | 0 | 0.062 | 0.020 | 52.208 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | B | 275 | ALA | 0 | -0.020 | -0.012 | 48.591 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | B | 276 | LYS | 1 | 0.962 | 0.978 | 47.456 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | B | 277 | LYS | 1 | 0.857 | 0.925 | 49.440 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | B | 278 | LYS | 1 | 0.993 | 0.985 | 50.153 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | B | 279 | GLY | 0 | -0.013 | 0.011 | 52.892 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | B | 280 | PRO | 0 | -0.017 | -0.022 | 56.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | B | 281 | LEU | 0 | 0.054 | 0.034 | 54.076 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | B | 282 | THR | 0 | 0.069 | 0.056 | 58.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | B | 283 | THR | 0 | -0.016 | -0.013 | 60.652 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | B | 284 | TRP | 0 | 0.021 | -0.008 | 62.453 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | B | 285 | GLU | -1 | -0.933 | -0.970 | 63.973 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | B | 286 | ASN | 0 | -0.018 | 0.003 | 64.781 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | B | 287 | LEU | 0 | 0.024 | 0.011 | 65.082 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | B | 288 | LYS | 1 | 0.804 | 0.913 | 67.091 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | B | 289 | SER | 0 | 0.060 | 0.049 | 70.355 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | B | 290 | SER | 0 | 0.003 | 0.003 | 72.317 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | B | 291 | SER | 0 | -0.057 | -0.034 | 74.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | B | 292 | LYS | 1 | 0.991 | 0.975 | 75.398 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | B | 293 | LYS | 1 | 0.871 | 0.933 | 73.373 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | B | 294 | VAL | 0 | 0.024 | 0.025 | 69.241 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | B | 295 | PHE | 0 | 0.093 | 0.039 | 66.326 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | B | 296 | SER | 0 | -0.071 | -0.047 | 69.803 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | B | 297 | ASN | 0 | 0.010 | -0.001 | 70.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | B | 298 | PRO | 0 | 0.059 | 0.030 | 65.388 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | B | 299 | LEU | 0 | 0.064 | 0.024 | 66.905 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | B | 300 | TYR | 0 | -0.029 | 0.000 | 68.534 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | B | 301 | ARG | 1 | 0.937 | 0.973 | 63.291 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | B | 302 | LEU | 0 | 0.020 | 0.014 | 62.820 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | B | 303 | ARG | 1 | 0.793 | 0.862 | 65.924 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | B | 304 | LEU | 0 | -0.014 | 0.007 | 68.438 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | B | 305 | VAL | 0 | 0.017 | 0.008 | 63.044 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | B | 306 | ALA | 0 | -0.040 | -0.015 | 64.135 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | B | 307 | ARG | 1 | 0.794 | 0.864 | 64.486 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | B | 308 | GLU | -1 | -0.900 | -0.951 | 62.793 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | B | 309 | TRP | 0 | -0.050 | -0.042 | 60.057 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | B | 310 | GLY | 0 | 0.047 | 0.045 | 59.571 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | B | 311 | TYR | 0 | 0.026 | 0.013 | 61.068 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | B | 312 | PRO | 0 | 0.038 | 0.014 | 60.183 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | B | 313 | ARG | 1 | 0.907 | 0.943 | 56.932 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | B | 314 | GLU | -1 | -0.850 | -0.924 | 60.499 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | B | 315 | TRP | 0 | -0.033 | -0.041 | 63.962 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | B | 316 | ARG | 1 | 0.848 | 0.933 | 59.548 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | B | 317 | GLN | 0 | 0.035 | 0.007 | 66.496 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | B | 318 | GLN | 0 | -0.061 | -0.014 | 67.692 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | B | 319 | LEU | 0 | 0.029 | -0.003 | 67.317 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | B | 320 | PRO | 0 | -0.008 | -0.012 | 70.936 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | B | 321 | SER | 0 | 0.027 | 0.022 | 72.710 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | B | 322 | ASP | -1 | -0.925 | -0.942 | 70.930 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | B | 323 | GLN | 0 | -0.103 | -0.061 | 71.326 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | B | 324 | ASP | -1 | -0.788 | -0.869 | 70.263 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | B | 325 | ILE | 0 | -0.069 | -0.046 | 64.041 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | B | 326 | SER | 0 | 0.040 | 0.015 | 63.129 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | B | 327 | LYS | 1 | 0.868 | 0.937 | 58.622 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | B | 328 | PRO | 0 | 0.003 | 0.006 | 61.789 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | B | 329 | LYS | 1 | 0.895 | 0.972 | 63.926 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | B | 330 | THR | 0 | -0.054 | -0.063 | 66.832 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | B | 331 | ALA | 0 | 0.040 | 0.026 | 70.407 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | B | 332 | LEU | 0 | -0.029 | 0.008 | 72.274 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | B | 333 | PHE | 0 | -0.035 | -0.005 | 74.052 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | B | 334 | GLU | -1 | -0.822 | -0.924 | 75.253 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | B | 335 | GLN | 0 | -0.068 | -0.041 | 76.675 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | B | 336 | ASP | -1 | -0.941 | -0.977 | 78.179 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | B | 337 | GLU | -1 | -0.880 | -0.927 | 71.933 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | B | 338 | GLN | 0 | 0.000 | -0.006 | 73.546 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | B | 339 | THR | 0 | -0.020 | -0.024 | 75.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | B | 340 | PRO | 0 | -0.029 | 0.001 | 76.926 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | B | 341 | VAL | 0 | -0.008 | 0.001 | 73.903 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | B | 342 | VAL | 0 | 0.049 | 0.019 | 75.586 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | B | 343 | ASP | -1 | -0.777 | -0.871 | 73.203 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | B | 344 | PRO | 0 | -0.005 | -0.005 | 73.685 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | B | 345 | SER | 0 | -0.045 | -0.033 | 72.734 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | B | 346 | HIS | 1 | 0.750 | 0.859 | 68.233 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | B | 347 | PRO | 0 | 0.001 | 0.007 | 69.624 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | B | 348 | GLU | -1 | -0.943 | -0.970 | 66.081 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | B | 349 | ILE | 0 | -0.023 | -0.016 | 67.999 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | B | 350 | LEU | 0 | 0.034 | 0.022 | 64.081 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | B | 351 | THR | 0 | -0.060 | -0.038 | 66.406 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | B | 352 | PRO | 0 | -0.006 | 0.007 | 67.977 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | B | 353 | ASN | 0 | 0.037 | 0.011 | 70.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | B | 354 | ILE | 0 | -0.049 | -0.006 | 70.267 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | B | 355 | TYR | 0 | -0.002 | -0.018 | 67.878 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | B | 356 | THR | 0 | -0.008 | -0.005 | 69.210 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | B | 357 | TRP | 0 | -0.005 | -0.011 | 63.994 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | B | 358 | ASN | 0 | -0.013 | -0.015 | 67.620 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | B | 359 | ALA | 0 | -0.008 | 0.000 | 63.713 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | B | 360 | ASN | 0 | -0.045 | -0.045 | 60.545 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | B | 361 | GLU | -1 | -0.712 | -0.814 | 64.745 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | B | 362 | PRO | 0 | -0.022 | -0.010 | 67.601 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | B | 363 | LEU | 0 | -0.001 | 0.020 | 68.793 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | B | 364 | PRO | 0 | 0.040 | 0.020 | 71.219 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | B | 365 | LEU | 0 | 0.003 | -0.006 | 74.584 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | B | 366 | GLU | -1 | -0.902 | -0.960 | 76.215 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | B | 367 | SER | 0 | -0.013 | -0.013 | 73.533 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | B | 368 | ASN | 0 | -0.044 | -0.010 | 69.782 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | B | 369 | PRO | 0 | 0.038 | 0.014 | 68.492 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | B | 370 | LEU | 0 | 0.007 | 0.012 | 66.098 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | B | 371 | TYR | 0 | -0.048 | -0.033 | 69.322 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | B | 372 | ASN | 0 | 0.022 | 0.012 | 72.275 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | B | 373 | ARG | 1 | 0.948 | 0.966 | 73.962 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | B | 374 | GLU | -1 | -0.919 | -0.961 | 75.507 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | B | 375 | MET | 0 | -0.070 | -0.030 | 68.960 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | B | 376 | ASP | -1 | -0.826 | -0.863 | 72.231 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | B | 377 | LYS | 1 | 0.948 | 0.969 | 73.349 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | B | 378 | ASN | 0 | -0.048 | -0.008 | 73.594 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | B | 379 | GLY | 0 | 0.087 | 0.045 | 69.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | B | 380 | ILE | 0 | 0.001 | -0.012 | 63.689 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | B | 381 | LEU | 0 | -0.014 | -0.021 | 67.763 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | B | 382 | ALA | 0 | -0.019 | 0.019 | 69.472 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | B | 383 | LEU | 0 | -0.035 | -0.007 | 67.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | B | 384 | LYS | 1 | 0.946 | 0.960 | 69.572 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | B | 385 | PRO | 0 | 0.065 | 0.028 | 66.991 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | B | 386 | MET | 0 | 0.032 | 0.020 | 61.149 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | B | 387 | ASP | -1 | -0.784 | -0.887 | 63.760 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | B | 388 | ARG | 1 | 0.795 | 0.898 | 64.303 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | B | 389 | VAL | 0 | 0.032 | 0.016 | 58.847 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | B | 390 | VAL | 0 | -0.008 | 0.008 | 59.851 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | B | 391 | LEU | 0 | -0.014 | 0.007 | 60.390 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | B | 392 | LEU | 0 | 0.031 | 0.008 | 58.646 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | B | 393 | ARG | 1 | 0.753 | 0.857 | 55.247 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | B | 394 | ALA | 0 | 0.010 | -0.012 | 56.397 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | B | 395 | LEU | 0 | 0.002 | 0.001 | 58.047 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | B | 396 | THR | 0 | -0.034 | -0.004 | 52.606 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | B | 397 | ASP | -1 | -0.824 | -0.893 | 52.671 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | B | 398 | TRP | 0 | -0.014 | -0.028 | 54.078 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | B | 399 | CYS | 0 | -0.002 | -0.002 | 54.782 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | B | 400 | ALA | 0 | 0.038 | 0.018 | 50.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | B | 401 | SER | 0 | -0.060 | -0.018 | 50.982 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | B | 402 | HIS | 1 | 0.837 | 0.918 | 53.349 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | B | 403 | SER | 0 | 0.044 | 0.014 | 53.603 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | B | 404 | SER | 0 | -0.046 | -0.009 | 52.952 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | B | 405 | ALA | 0 | -0.022 | -0.003 | 52.043 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | B | 406 | ILE | 0 | 0.048 | 0.009 | 49.311 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | B | 407 | HIS | 0 | -0.043 | -0.020 | 48.177 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | B | 408 | ASP | -1 | -0.851 | -0.932 | 47.686 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | B | 409 | GLU | -1 | -0.926 | -0.966 | 43.957 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | B | 410 | ILE | 0 | 0.040 | -0.002 | 43.804 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | B | 411 | TYR | 0 | 0.022 | 0.024 | 42.553 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | B | 412 | LYS | 1 | 0.921 | 0.947 | 41.510 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | B | 413 | LEU | 0 | -0.096 | -0.032 | 38.131 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | B | 414 | THR | 0 | -0.053 | -0.019 | 38.145 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | B | 415 | HIS | 0 | -0.043 | -0.008 | 37.779 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | B | 416 | GLY | 0 | 0.025 | 0.023 | 34.518 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | B | 417 | LYS | 1 | 0.924 | 0.943 | 32.337 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | B | 418 | LYS | 1 | 0.853 | 0.922 | 25.505 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | B | 419 | ASP | -1 | -0.820 | -0.912 | 29.293 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | B | 420 | PRO | 0 | -0.033 | -0.014 | 27.951 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | B | 421 | VAL | 0 | 0.028 | 0.013 | 22.681 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | B | 422 | PHE | 0 | -0.092 | -0.047 | 25.641 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | B | 423 | GLY | 0 | 0.027 | 0.021 | 27.447 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | B | 424 | ILE | 0 | -0.004 | -0.004 | 30.083 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | B | 425 | GLN | 0 | 0.021 | 0.007 | 32.129 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | B | 426 | THR | 0 | -0.028 | -0.024 | 35.255 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | B | 427 | GLN | 0 | -0.035 | -0.022 | 37.524 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | B | 428 | GLN | 0 | 0.044 | 0.016 | 33.621 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | B | 429 | VAL | 0 | 0.023 | 0.015 | 34.335 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | B | 430 | PRO | 0 | 0.122 | 0.046 | 32.819 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | B | 431 | ARG | 1 | 0.819 | 0.922 | 24.837 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | B | 432 | TYR | 0 | 0.062 | 0.009 | 30.544 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | B | 433 | THR | 0 | -0.034 | -0.010 | 32.375 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | B | 434 | ILE | 0 | 0.012 | -0.005 | 31.488 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | B | 435 | GLU | -1 | -0.834 | -0.883 | 26.887 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | B | 436 | GLY | 0 | 0.025 | 0.024 | 30.586 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | B | 437 | VAL | 0 | 0.079 | 0.024 | 30.549 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | B | 438 | ASP | -1 | -0.804 | -0.911 | 30.025 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | B | 439 | ASN | 0 | -0.158 | -0.091 | 27.311 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | B | 440 | THR | 0 | -0.040 | -0.021 | 25.974 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | B | 441 | ILE | 0 | 0.049 | 0.034 | 25.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | B | 442 | ASN | 0 | -0.001 | -0.009 | 23.111 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | B | 443 | GLN | 0 | -0.061 | -0.037 | 21.302 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | B | 444 | PHE | 0 | 0.086 | 0.052 | 20.535 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | B | 445 | LYS | 1 | 0.974 | 0.992 | 19.604 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | B | 446 | LYS | 1 | 0.935 | 0.968 | 16.866 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | B | 447 | LEU | 0 | 0.032 | 0.022 | 15.585 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | B | 448 | CYS | 0 | -0.002 | -0.001 | 15.217 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | B | 449 | SER | 0 | -0.040 | -0.031 | 13.696 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | B | 450 | LEU | 0 | -0.028 | -0.009 | 11.056 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | B | 451 | ILE | 0 | -0.031 | -0.017 | 10.368 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | B | 452 | GLN | 0 | -0.026 | -0.005 | 10.439 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | B | 453 | SER | 0 | -0.004 | -0.007 | 5.551 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | B | 454 | ARG | 1 | 0.842 | 0.904 | 6.043 | 0.523 | 0.523 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | B | 455 | TYR | 0 | -0.004 | -0.025 | 8.218 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | B | 456 | GLU | -1 | -0.985 | -0.973 | 5.807 | 1.628 | 1.628 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | B | 457 | ILE | 0 | 0.035 | 0.026 | 2.102 | 0.799 | 1.412 | 3.100 | -1.535 | -2.178 | -0.001 |
| 321 | B | 458 | ARG | 1 | 0.880 | 0.934 | 3.308 | -5.329 | -4.539 | 0.079 | -0.100 | -0.769 | -0.003 |
| 322 | B | 459 | SER | 0 | 0.078 | 0.045 | 3.069 | 0.167 | 0.766 | 0.013 | -0.130 | -0.483 | 0.001 |
| 323 | B | 460 | LYS | 1 | 0.932 | 0.959 | 4.666 | -0.178 | -0.099 | -0.001 | -0.005 | -0.074 | 0.000 |
| 324 | B | 461 | LYS | 1 | 1.068 | 1.028 | 7.381 | -1.625 | -1.625 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | B | 462 | LYS | 1 | 0.937 | 0.974 | 9.640 | -0.492 | -0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | B | 463 | HIS | 0 | -0.046 | -0.025 | 12.036 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | B | 464 | PHE | 0 | -0.010 | -0.009 | 11.601 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | B | 465 | VAL | 0 | 0.017 | 0.001 | 12.083 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | B | 466 | LYS | 1 | 0.958 | 0.987 | 14.789 | -0.440 | -0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | B | 467 | GLN | 0 | 0.053 | 0.031 | 17.186 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | B | 468 | LEU | 0 | 0.055 | 0.037 | 18.658 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | B | 469 | LYS | 1 | 0.914 | 0.945 | 19.405 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | B | 470 | GLU | -1 | -0.866 | -0.960 | 21.693 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | B | 471 | GLY | 0 | 0.075 | 0.048 | 22.751 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | B | 472 | LYS | 1 | 0.912 | 0.947 | 16.541 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | B | 473 | LYS | 1 | 0.953 | 0.985 | 17.515 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | B | 474 | PRO | 0 | 0.022 | 0.023 | 19.236 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | B | 475 | ASP | -1 | -0.767 | -0.875 | 15.743 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | B | 476 | LEU | 0 | -0.056 | -0.035 | 13.296 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | B | 477 | SER | 0 | -0.043 | -0.023 | 15.793 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | B | 478 | ARG | 1 | 0.961 | 0.954 | 18.495 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | B | 479 | LYS | 1 | 0.826 | 0.919 | 11.984 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | B | 480 | LEU | 0 | -0.044 | -0.018 | 13.981 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | B | 481 | GLU | -1 | -0.866 | -0.920 | 16.143 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | B | 482 | ILE | 0 | 0.072 | 0.033 | 14.414 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | B | 483 | LEU | 0 | -0.015 | -0.006 | 11.310 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | B | 484 | LYS | 1 | 0.835 | 0.910 | 15.771 | -0.354 | -0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | B | 485 | GLU | -1 | -0.777 | -0.859 | 18.795 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | B | 486 | ILE | 0 | 0.063 | 0.035 | 14.664 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | B | 487 | LYS | 1 | 0.877 | 0.931 | 13.112 | -0.728 | -0.728 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | B | 488 | ALA | 0 | -0.046 | -0.016 | 19.613 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | B | 489 | GLU | -1 | -0.838 | -0.909 | 22.247 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | B | 490 | LEU | 0 | -0.039 | -0.032 | 18.365 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | B | 491 | LYS | 1 | 0.861 | 0.926 | 19.139 | -0.431 | -0.431 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | B | 492 | ASN | 0 | -0.069 | -0.018 | 23.792 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | B | 493 | ALA | 0 | 0.128 | 0.068 | 26.744 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | B | 494 | VAL | 0 | -0.044 | -0.022 | 27.233 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | B | 495 | LYS | 1 | 0.886 | 0.937 | 27.322 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | B | 496 | SER | 0 | 0.056 | 0.051 | 28.622 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | B | 497 | GLU | -1 | -0.884 | -0.946 | 29.514 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | B | 498 | LYS | 1 | 0.850 | 0.913 | 25.139 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | B | 499 | ASP | -1 | -0.854 | -0.919 | 27.214 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | B | 500 | GLU | -1 | -0.763 | -0.877 | 28.746 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | B | 501 | LEU | 0 | -0.103 | -0.027 | 21.750 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | B | 502 | LEU | 0 | -0.053 | -0.057 | 23.910 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | B | 503 | PHE | 0 | 0.004 | -0.001 | 25.801 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | B | 504 | SER | 0 | 0.009 | -0.002 | 27.753 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | B | 505 | LEU | 0 | -0.036 | -0.022 | 21.396 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | B | 506 | TYR | 0 | -0.076 | -0.046 | 23.599 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | B | 507 | ASP | -1 | -0.776 | -0.882 | 25.019 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | B | 508 | LYS | 1 | 0.823 | 0.894 | 22.530 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | B | 509 | TRP | 0 | 0.028 | 0.001 | 15.795 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | B | 510 | VAL | 0 | 0.015 | 0.021 | 20.195 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | B | 511 | PRO | 0 | -0.009 | -0.020 | 21.594 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | B | 512 | LEU | 0 | -0.071 | -0.017 | 14.262 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | B | 513 | PHE | 0 | -0.009 | -0.029 | 17.400 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | B | 514 | GLU | -1 | -0.954 | -0.959 | 18.803 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | B | 515 | GLY | 0 | 0.016 | 0.004 | 18.095 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | B | 516 | GLU | -1 | -0.862 | -0.906 | 12.704 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | B | 517 | LEU | 0 | -0.045 | -0.020 | 15.137 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | B | 518 | PRO | 0 | -0.003 | -0.001 | 18.755 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | B | 519 | ASP | -1 | -0.773 | -0.853 | 21.885 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | B | 520 | GLN | 0 | 0.065 | 0.029 | 21.449 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | B | 521 | PRO | 0 | -0.008 | -0.016 | 22.301 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | B | 522 | LEU | 0 | -0.054 | -0.046 | 24.794 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | B | 523 | ALA | 0 | 0.047 | 0.060 | 26.914 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | B | 524 | ASN | 0 | 0.032 | 0.005 | 28.472 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | B | 525 | PRO | 0 | 0.028 | 0.024 | 31.891 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | B | 526 | PHE | 0 | -0.050 | -0.027 | 32.855 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | B | 527 | SER | 0 | -0.010 | -0.021 | 33.491 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | B | 528 | GLU | -1 | -0.856 | -0.918 | 30.407 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | B | 529 | ARG | 1 | 0.849 | 0.912 | 33.684 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | B | 530 | LEU | 0 | -0.030 | -0.014 | 29.837 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | B | 531 | TYR | 0 | -0.001 | -0.029 | 27.395 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | B | 532 | LYS | 1 | 0.870 | 0.956 | 34.288 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | B | 533 | LEU | 0 | 0.017 | 0.010 | 37.714 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | B | 534 | ARG | 1 | 0.954 | 0.971 | 37.362 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | B | 535 | LEU | 0 | -0.012 | 0.023 | 35.364 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | B | 536 | GLN | 0 | -0.016 | 0.008 | 37.889 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | B | 537 | GLU | -1 | -0.710 | -0.834 | 39.893 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | B | 538 | PHE | 0 | -0.021 | 0.000 | 41.293 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | B | 539 | PHE | 0 | -0.037 | -0.020 | 36.852 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | B | 540 | LEU | 0 | 0.020 | 0.001 | 39.971 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | B | 541 | GLY | 0 | 0.059 | 0.033 | 38.067 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | B | 542 | ARG | 1 | 0.700 | 0.812 | 36.926 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | B | 543 | VAL | 0 | 0.020 | 0.024 | 38.219 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | B | 544 | PRO | 0 | -0.014 | -0.023 | 37.089 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | B | 545 | HIS | 0 | -0.018 | -0.023 | 39.894 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | B | 546 | ILE | 0 | 0.010 | 0.012 | 43.164 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | B | 547 | GLY | 0 | -0.021 | 0.002 | 43.181 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | B | 548 | ASP | -1 | -0.782 | -0.865 | 41.617 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | B | 549 | PHE | 0 | 0.035 | 0.021 | 42.584 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | B | 550 | TYR | 0 | -0.029 | -0.018 | 42.808 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | B | 551 | MET | 0 | 0.013 | 0.011 | 44.327 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | B | 552 | PRO | 0 | -0.023 | -0.003 | 46.412 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | B | 553 | ARG | 1 | 0.838 | 0.915 | 45.827 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | B | 554 | LEU | 0 | 0.028 | 0.004 | 46.672 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | B | 555 | HIS | 1 | 0.840 | 0.920 | 46.261 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | B | 556 | SER | 0 | -0.025 | -0.010 | 41.369 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | B | 557 | TYR | 0 | 0.003 | -0.049 | 39.713 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | B | 558 | GLY | 0 | -0.041 | -0.028 | 42.219 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | B | 559 | ASP | -1 | -0.911 | -0.944 | 43.098 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | B | 560 | SER | 0 | -0.017 | -0.031 | 45.326 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | B | 561 | LEU | 0 | -0.084 | -0.014 | 40.335 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | B | 562 | GLU | -1 | -0.904 | -0.963 | 41.923 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | B | 563 | MET | 0 | -0.020 | -0.011 | 42.758 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | B | 564 | SER | 0 | -0.012 | -0.001 | 41.793 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | B | 565 | THR | 0 | 0.008 | -0.006 | 41.089 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | B | 566 | PHE | 0 | -0.074 | -0.021 | 39.102 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | B | 567 | THR | 0 | 0.060 | 0.026 | 35.357 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | B | 568 | ASP | -1 | -0.819 | -0.901 | 30.949 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | B | 569 | LEU | 0 | -0.021 | -0.020 | 30.000 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | B | 570 | ARG | 1 | 0.832 | 0.902 | 29.288 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | B | 571 | ASN | 0 | 0.027 | -0.006 | 31.947 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | B | 572 | LEU | 0 | -0.030 | 0.006 | 35.107 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | B | 573 | GLN | 0 | -0.037 | -0.031 | 34.430 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | B | 574 | ALA | 0 | -0.012 | -0.002 | 35.368 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | B | 575 | LEU | 0 | -0.007 | 0.003 | 37.226 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | B | 576 | LEU | 0 | -0.002 | -0.017 | 39.746 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | B | 577 | SER | 0 | 0.013 | 0.006 | 39.033 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | B | 578 | LYS | 1 | 0.850 | 0.925 | 40.326 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | B | 579 | PHE | 0 | -0.022 | -0.019 | 43.447 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | B | 580 | LYS | 1 | 0.822 | 0.907 | 40.931 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | B | 581 | ASN | 0 | -0.028 | -0.013 | 44.070 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | B | 582 | ASN | 0 | -0.059 | -0.032 | 46.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | B | 583 | GLU | -1 | -0.831 | -0.888 | 43.537 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | B | 584 | TYR | 0 | -0.026 | -0.013 | 44.064 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | B | 585 | ASN | 0 | 0.059 | 0.020 | 48.284 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | B | 586 | ALA | 0 | 0.059 | 0.028 | 51.411 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | B | 587 | PHE | 0 | -0.022 | -0.015 | 53.178 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | B | 588 | THR | 0 | -0.003 | -0.023 | 49.316 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | B | 589 | LEU | 0 | 0.036 | 0.026 | 49.011 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | B | 590 | PHE | 0 | -0.057 | -0.018 | 51.031 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | B | 591 | GLU | -1 | -0.938 | -0.975 | 51.758 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | B | 592 | ASN | 0 | -0.061 | -0.023 | 47.031 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | B | 593 | ASP | -1 | -0.842 | -0.914 | 48.615 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | B | 594 | GLY | 0 | 0.031 | -0.001 | 49.664 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | B | 595 | GLN | 0 | 0.004 | -0.026 | 50.704 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | B | 596 | SER | 0 | -0.063 | -0.019 | 49.917 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | B | 597 | MET | 0 | -0.040 | 0.001 | 45.450 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | B | 598 | SER | 0 | -0.024 | 0.000 | 49.689 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | B | 599 | ALA | 0 | 0.002 | 0.017 | 51.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | B | 600 | GLN | 0 | 0.064 | 0.040 | 52.956 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | B | 601 | PHE | 0 | 0.019 | -0.005 | 50.103 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | B | 602 | LYS | 1 | 0.834 | 0.921 | 51.380 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | B | 603 | LEU | 0 | 0.000 | 0.007 | 46.118 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | B | 604 | PHE | 0 | 0.024 | 0.001 | 48.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | B | 605 | TYR | 0 | -0.051 | -0.043 | 46.592 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | B | 606 | HIS | 0 | -0.013 | -0.028 | 46.091 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | B | 607 | ASP | -1 | -0.738 | -0.853 | 46.693 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | B | 608 | THR | 0 | 0.000 | -0.020 | 43.353 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | B | 609 | PRO | 0 | -0.007 | 0.005 | 44.416 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | B | 610 | SER | 0 | -0.010 | -0.033 | 46.010 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | B | 611 | LEU | 0 | -0.014 | 0.017 | 47.120 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | B | 612 | ALA | 0 | 0.014 | -0.004 | 44.494 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | B | 613 | HIS | 1 | 0.846 | 0.920 | 44.440 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | B | 614 | ASP | -1 | -0.798 | -0.874 | 48.417 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | B | 615 | VAL | 0 | -0.021 | -0.011 | 48.376 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | B | 616 | ALA | 0 | -0.017 | 0.006 | 46.804 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | B | 617 | ARG | 1 | 0.869 | 0.944 | 48.623 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | B | 618 | GLY | 0 | 0.047 | 0.019 | 52.065 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | B | 619 | ARG | 1 | 0.871 | 0.934 | 51.393 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | B | 620 | ASN | 0 | -0.019 | -0.016 | 55.407 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | B | 621 | THR | 0 | 0.007 | -0.008 | 53.085 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | B | 622 | SER | 0 | -0.018 | -0.011 | 56.477 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | B | 623 | GLY | 0 | 0.106 | 0.061 | 59.331 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | B | 624 | LYS | 1 | 0.824 | 0.927 | 55.247 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | B | 625 | VAL | 0 | 0.052 | 0.026 | 55.776 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | B | 626 | TYR | 0 | -0.040 | -0.049 | 50.652 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | B | 627 | TRP | 0 | 0.049 | 0.050 | 47.535 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | B | 628 | TYR | 0 | -0.004 | -0.007 | 51.790 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | B | 629 | GLU | -1 | -0.772 | -0.864 | 52.103 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | B | 630 | LEU | 0 | -0.055 | -0.028 | 48.759 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | B | 631 | CYS | 0 | -0.015 | -0.004 | 52.064 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | B | 632 | HIS | 0 | -0.032 | -0.017 | 54.159 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | B | 633 | ASP | -1 | -0.754 | -0.844 | 55.294 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | B | 634 | SER | 0 | -0.061 | -0.081 | 52.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | B | 635 | ALA | 0 | -0.013 | 0.000 | 53.571 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | B | 636 | THR | 0 | 0.049 | -0.021 | 55.543 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | B | 637 | LEU | 0 | -0.056 | -0.032 | 48.099 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | B | 638 | LEU | 0 | 0.000 | -0.004 | 50.450 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | B | 639 | GLU | -1 | -0.797 | -0.886 | 51.968 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | B | 640 | PHE | 0 | -0.028 | -0.020 | 46.954 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | B | 641 | LEU | 0 | -0.044 | -0.029 | 45.627 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | B | 642 | GLU | -1 | -0.923 | -0.948 | 48.530 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | B | 643 | PHE | 0 | -0.035 | -0.018 | 50.609 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | B | 644 | LEU | 0 | -0.025 | -0.026 | 44.490 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | B | 645 | ASP | -1 | -0.735 | -0.865 | 46.459 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | B | 646 | TYR | 0 | -0.023 | -0.015 | 47.296 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | B | 647 | LYS | 1 | 0.756 | 0.888 | 45.888 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | B | 648 | ILE | 0 | -0.028 | -0.001 | 42.109 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | B | 649 | VAL | 0 | -0.001 | 0.028 | 42.559 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | B | 650 | LYS | 1 | 0.916 | 0.944 | 40.341 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | B | 651 | PRO | 0 | -0.038 | -0.035 | 43.611 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | B | 652 | GLN | 0 | -0.001 | 0.000 | 44.612 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | B | 653 | ASP | -1 | -0.899 | -0.943 | 47.394 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | B | 654 | GLU | -1 | -0.907 | -0.936 | 49.613 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | B | 655 | LYS | 1 | 0.849 | 0.913 | 51.858 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | B | 656 | LYS | 1 | 0.906 | 0.963 | 55.590 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | B | 657 | GLU | -1 | -0.856 | -0.918 | 59.102 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | B | 658 | GLY | 0 | -0.055 | -0.039 | 60.378 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | B | 659 | ASN | 0 | -0.027 | -0.015 | 63.093 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | B | 660 | GLU | -1 | -0.915 | -0.956 | 65.639 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | B | 661 | LYS | 1 | 0.968 | 0.989 | 69.287 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | B | 679 | THR | 0 | 0.065 | 0.026 | 67.169 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | B | 680 | ASP | -1 | -0.914 | -0.936 | 63.009 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | B | 681 | ASN | 0 | 0.025 | 0.011 | 66.420 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | B | 682 | LYS | 1 | 0.798 | 0.863 | 60.320 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | B | 683 | PRO | 0 | 0.045 | 0.032 | 64.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | B | 684 | SER | 0 | 0.028 | 0.011 | 62.078 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | B | 685 | ILE | 0 | -0.022 | -0.015 | 55.209 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | B | 686 | ASN | 0 | 0.019 | 0.016 | 58.342 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | B | 687 | THR | 0 | -0.087 | -0.044 | 53.232 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | B | 688 | ASN | 0 | 0.101 | 0.035 | 52.086 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | B | 689 | PRO | 0 | 0.033 | 0.023 | 50.231 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | B | 690 | LEU | 0 | 0.006 | 0.000 | 44.432 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | B | 691 | PRO | 0 | -0.052 | -0.019 | 42.810 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | B | 692 | LYS | 1 | 0.997 | 1.001 | 44.820 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | B | 693 | ASP | -1 | -0.819 | -0.906 | 43.170 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | B | 694 | ALA | 0 | -0.008 | -0.014 | 39.006 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | B | 695 | LYS | 1 | 0.966 | 0.995 | 38.871 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | B | 696 | TYR | 0 | -0.023 | -0.016 | 39.222 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | B | 697 | ASN | 0 | 0.049 | 0.016 | 35.597 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | B | 698 | THR | 0 | -0.027 | -0.021 | 34.532 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | B | 699 | ALA | 0 | 0.012 | 0.002 | 36.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | B | 700 | ARG | 1 | 0.924 | 0.956 | 38.949 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | B | 701 | LYS | 1 | 0.984 | 0.994 | 31.799 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | B | 702 | LYS | 1 | 0.875 | 0.933 | 31.905 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | B | 703 | LEU | 0 | -0.004 | 0.009 | 37.384 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | B | 704 | GLN | 0 | -0.029 | -0.033 | 37.599 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | B | 705 | ILE | 0 | 0.040 | 0.017 | 34.297 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | B | 706 | LEU | 0 | -0.031 | -0.005 | 37.657 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | B | 707 | LYS | 1 | 0.828 | 0.889 | 40.600 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | B | 708 | GLU | -1 | -0.858 | -0.907 | 36.430 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | B | 709 | PHE | 0 | -0.006 | -0.009 | 34.641 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | B | 710 | LEU | 0 | 0.008 | -0.003 | 40.525 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | B | 711 | SER | 0 | 0.022 | 0.017 | 43.162 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | B | 712 | ASP | -1 | -0.819 | -0.891 | 40.103 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | B | 713 | TYR | 0 | -0.025 | -0.038 | 40.007 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | B | 714 | TYR | 0 | 0.043 | 0.029 | 44.546 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | B | 715 | PHE | 0 | 0.020 | 0.010 | 45.640 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | B | 716 | ILE | 0 | -0.003 | -0.004 | 44.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | B | 717 | LEU | 0 | -0.014 | -0.005 | 47.318 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | B | 718 | ARG | 1 | 0.929 | 0.978 | 49.754 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | B | 719 | GLN | 0 | -0.021 | -0.005 | 50.568 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | B | 720 | PHE | 0 | 0.042 | 0.009 | 46.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | B | 721 | GLU | -1 | -0.775 | -0.853 | 52.605 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | B | 722 | GLN | 0 | 0.026 | 0.011 | 55.724 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | B | 723 | MET | 0 | -0.047 | -0.014 | 53.446 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | B | 724 | LYS | 1 | 0.842 | 0.916 | 56.511 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | B | 725 | VAL | 0 | -0.049 | -0.017 | 58.633 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | B | 726 | GLN | 0 | -0.062 | -0.016 | 59.747 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | B | 727 | PHE | 0 | -0.025 | -0.020 | 57.435 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | B | 728 | ALA | 0 | 0.046 | 0.026 | 59.472 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | B | 729 | ASP | -1 | -0.815 | -0.882 | 58.264 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | B | 730 | MET | 0 | -0.015 | 0.008 | 59.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | B | 731 | LYS | 1 | 0.901 | 0.925 | 59.693 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | B | 732 | PRO | 0 | 0.068 | 0.057 | 56.244 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | B | 733 | GLY | 0 | -0.008 | 0.003 | 59.205 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | B | 734 | LYS | 1 | 0.972 | 0.961 | 58.465 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | B | 735 | ARG | 1 | 0.990 | 0.986 | 60.300 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | B | 736 | GLN | 0 | -0.004 | -0.025 | 62.917 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | B | 737 | LEU | 0 | 0.048 | 0.039 | 55.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | B | 738 | ARG | 1 | 1.018 | 1.018 | 57.007 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | B | 739 | ARG | 1 | 0.847 | 0.913 | 59.760 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | B | 740 | ILE | 0 | 0.050 | 0.023 | 59.442 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | B | 741 | GLN | 0 | 0.037 | 0.029 | 53.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | B | 742 | ARG | 1 | 0.877 | 0.934 | 58.590 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | B | 743 | GLN | 0 | 0.018 | 0.035 | 61.047 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | B | 744 | THR | 0 | -0.028 | -0.012 | 61.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | B | 745 | VAL | 0 | -0.016 | -0.005 | 61.412 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | B | 746 | ASN | 0 | 0.045 | 0.034 | 61.389 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |