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: 97252
Calculation Name: 4YW4-A-Xray547
Preferred Name:
Target Type:
Ligand Name: phosphate ion | glycerol
Ligand 3-letter code: PO4 | GOL
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 4YW4
Chain ID: A
UniProt ID: A0A182
Base Structure: X-ray
Registration Date: 2025-10-04
Reference: Sci Data 11, 1164 (2024).
DOI: https://doi.org/10.1038/s41597-024-03999-2
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptAll |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Homology Modeling |
| Water | No |
| Procedure | Manual calculation |
| Remarks |
ac.sh, 23 2024 Oct; Missing atoms/residues were imported from a 100% homology model, which was constructed by MOE. |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 659 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -15665397.635014 |
|---|---|
| FMO2-HF: Nuclear repulsion | 15408810.474649 |
| FMO2-HF: Total energy | -256587.160366 |
| FMO2-MP2: Total energy | -257347.637512 |
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(A:83:GLU)
Summations of interaction energy for
fragment #1(A:83:GLU)
| 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. |
| -3.441 | -1.219 | 0.119 | -0.96 | -1.382 | -0.002 |
Interaction energy analysis for fragmet #1(A:83:GLU)
| 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 | A | 85 | PRO | 0 | -0.034 | -0.005 | 3.875 | -5.358 | -4.123 | -0.014 | -0.539 | -0.682 | 0.001 |
| 173 | A | 255 | PHE | 0 | 0.026 | 0.003 | 3.812 | -1.031 | -0.665 | 0.001 | -0.149 | -0.218 | 0.000 |
| 177 | A | 259 | LEU | 0 | -0.024 | -0.006 | 2.778 | -2.982 | -2.361 | 0.132 | -0.272 | -0.482 | -0.003 |
| 4 | A | 86 | VAL | 0 | -0.021 | -0.015 | 6.485 | 1.793 | 1.793 | 0.000 | 0.000 | 0.000 | 0.000 |
| 5 | A | 87 | LEU | 0 | -0.042 | -0.029 | 8.963 | 1.575 | 1.575 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 88 | GLU | -1 | -0.793 | -0.877 | 10.409 | -3.876 | -3.876 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 89 | LYS | 1 | 0.811 | 0.913 | 12.575 | 2.330 | 2.330 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 90 | ASN | 0 | 0.021 | 0.004 | 14.958 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 91 | ASN | 0 | -0.004 | -0.004 | 18.331 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 92 | VAL | 0 | 0.027 | 0.032 | 20.034 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 93 | THR | 0 | 0.004 | 0.009 | 22.621 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 94 | LEU | 0 | -0.055 | -0.011 | 23.067 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 95 | THR | 0 | 0.032 | 0.005 | 27.287 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 96 | GLY | 0 | 0.029 | 0.024 | 29.226 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 97 | GLY | 0 | -0.024 | -0.019 | 29.857 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 98 | GLY | 0 | -0.004 | -0.004 | 25.543 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 99 | GLU | -1 | -0.827 | -0.925 | 21.949 | -1.448 | -1.448 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 100 | ASN | 0 | -0.019 | 0.004 | 22.757 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 101 | VAL | 0 | 0.062 | 0.026 | 17.941 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 102 | THR | 0 | 0.030 | 0.002 | 18.852 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 103 | LYS | 1 | 0.878 | 0.930 | 19.608 | 1.386 | 1.386 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 104 | GLU | -1 | -0.841 | -0.913 | 16.264 | -1.858 | -1.858 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 105 | LEU | 0 | -0.015 | -0.007 | 13.370 | -0.501 | -0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 106 | LYS | 1 | 0.881 | 0.925 | 15.601 | 1.565 | 1.565 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 107 | ASP | -1 | -0.854 | -0.914 | 16.966 | -2.182 | -2.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 108 | LYS | 1 | 0.861 | 0.936 | 11.721 | 3.631 | 3.631 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 109 | PHE | 0 | -0.010 | -0.003 | 11.181 | -0.908 | -0.908 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 110 | THR | 0 | 0.012 | 0.000 | 11.584 | 0.352 | 0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 111 | SER | 0 | 0.032 | 0.016 | 10.384 | 0.727 | 0.727 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 112 | GLY | 0 | 0.029 | 0.015 | 12.863 | 0.546 | 0.546 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 113 | ASP | -1 | -0.822 | -0.873 | 10.777 | -4.349 | -4.349 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 114 | PHE | 0 | -0.036 | -0.037 | 10.002 | -0.410 | -0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 115 | THR | 0 | -0.001 | 0.000 | 7.013 | 0.691 | 0.691 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 116 | VAL | 0 | -0.053 | -0.020 | 9.106 | -0.747 | -0.747 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 117 | VAL | 0 | 0.025 | 0.012 | 8.798 | 0.499 | 0.499 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 118 | ILE | 0 | -0.005 | -0.010 | 11.528 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 119 | LYS | 1 | 0.875 | 0.934 | 15.014 | 1.113 | 1.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 120 | TYR | 0 | 0.001 | -0.013 | 17.169 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 121 | ASN | 0 | 0.028 | 0.021 | 20.756 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 122 | GLN | 0 | -0.001 | -0.022 | 24.498 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 123 | SER | 0 | 0.020 | -0.008 | 27.312 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 124 | SER | 0 | -0.025 | -0.019 | 30.362 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 125 | GLU | -1 | -0.810 | -0.914 | 30.321 | -0.652 | -0.652 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 126 | LYS | 1 | 0.887 | 0.958 | 31.159 | 0.507 | 0.507 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 127 | GLY | 0 | 0.041 | 0.030 | 32.148 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 128 | LEU | 0 | -0.044 | -0.011 | 27.401 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 129 | GLN | 0 | -0.029 | -0.023 | 26.603 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 130 | ALA | 0 | 0.015 | 0.001 | 22.819 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 131 | LEU | 0 | 0.009 | 0.003 | 18.710 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 132 | PHE | 0 | -0.015 | -0.020 | 15.526 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 133 | GLY | 0 | 0.043 | 0.026 | 19.633 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 134 | ILE | 0 | -0.065 | -0.022 | 15.558 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 135 | SER | 0 | 0.020 | -0.031 | 20.119 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 136 | ASN | 0 | 0.009 | 0.020 | 23.434 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 137 | SER | 0 | -0.062 | -0.059 | 26.101 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 138 | LYS | 1 | 0.845 | 0.919 | 27.878 | 1.352 | 1.352 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 139 | PRO | 0 | 0.031 | -0.009 | 31.511 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 140 | GLY | 0 | 0.014 | 0.016 | 34.610 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 141 | GLN | 0 | -0.035 | -0.009 | 29.661 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 142 | GLN | 0 | 0.061 | 0.029 | 29.468 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 143 | ASN | 0 | -0.006 | -0.006 | 29.141 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 144 | SER | 0 | 0.035 | 0.045 | 25.916 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 145 | TYR | 0 | -0.110 | -0.087 | 23.034 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 146 | VAL | 0 | 0.018 | 0.018 | 17.178 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 147 | ASP | -1 | -0.866 | -0.946 | 19.996 | -1.749 | -1.749 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 148 | VAL | 0 | 0.009 | 0.007 | 16.499 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 149 | PHE | 0 | -0.051 | -0.008 | 19.867 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 150 | LEU | 0 | 0.023 | 0.014 | 21.944 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 151 | ARG | 1 | 0.862 | 0.907 | 25.247 | 1.018 | 1.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 152 | ASP | -1 | -0.844 | -0.910 | 28.980 | -0.677 | -0.677 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 153 | ASN | 0 | 0.011 | -0.005 | 30.436 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 154 | GLY | 0 | 0.062 | 0.028 | 27.655 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 155 | GLU | -1 | -0.875 | -0.909 | 26.267 | -1.035 | -1.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 156 | LEU | 0 | -0.002 | 0.010 | 18.643 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 157 | GLY | 0 | 0.021 | -0.027 | 22.258 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 158 | MET | 0 | -0.048 | 0.009 | 17.906 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 159 | GLU | -1 | -0.771 | -0.855 | 21.211 | -1.163 | -1.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 160 | ALA | 0 | 0.000 | -0.010 | 19.934 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 161 | ARG | 1 | 0.813 | 0.898 | 21.969 | 1.369 | 1.369 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 162 | ASP | -1 | -0.714 | -0.845 | 24.711 | -1.450 | -1.450 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 163 | THR | 0 | -0.001 | -0.030 | 26.774 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 164 | SER | 0 | -0.098 | -0.052 | 29.057 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 165 | SER | 0 | -0.024 | -0.039 | 28.136 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 166 | ASN | 0 | 0.000 | -0.004 | 30.711 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 167 | LYS | 1 | 0.938 | 1.004 | 25.693 | 1.382 | 1.382 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 168 | ASN | 0 | 0.009 | -0.004 | 27.131 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 169 | ASN | 0 | -0.049 | -0.024 | 23.119 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 170 | LEU | 0 | 0.017 | 0.010 | 24.283 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 171 | VAL | 0 | -0.026 | -0.011 | 20.882 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 172 | SER | 0 | -0.028 | -0.043 | 22.674 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 173 | ARG | 1 | 0.794 | 0.895 | 24.034 | 0.927 | 0.927 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 174 | PRO | 0 | 0.046 | 0.027 | 25.427 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 175 | ALA | 0 | 0.043 | 0.027 | 26.964 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 176 | SER | 0 | -0.025 | -0.013 | 22.278 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 177 | VAL | 0 | -0.041 | -0.010 | 21.884 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 178 | TRP | 0 | -0.032 | -0.025 | 24.458 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 179 | GLY | 0 | 0.051 | 0.026 | 26.481 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 180 | LYS | 1 | 0.878 | 0.947 | 28.947 | 0.409 | 0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 181 | TYR | 0 | -0.011 | -0.024 | 30.776 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 182 | LYS | 1 | 0.868 | 0.946 | 32.616 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 183 | GLN | 0 | -0.036 | -0.030 | 35.817 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 184 | GLU | -1 | -0.901 | -0.921 | 31.464 | -0.308 | -0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 185 | ALA | 0 | -0.006 | -0.006 | 28.390 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 186 | VAL | 0 | -0.028 | -0.020 | 24.867 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 187 | THR | 0 | -0.039 | -0.034 | 21.015 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 188 | ASN | 0 | -0.012 | -0.002 | 20.999 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 189 | THR | 0 | -0.064 | -0.041 | 14.638 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 190 | VAL | 0 | 0.012 | 0.016 | 16.314 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 191 | ALA | 0 | 0.004 | 0.000 | 11.561 | -0.358 | -0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 192 | VAL | 0 | -0.013 | 0.007 | 12.978 | 0.486 | 0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 193 | VAL | 0 | 0.008 | 0.004 | 9.715 | -0.851 | -0.851 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 194 | ALA | 0 | -0.014 | -0.005 | 11.920 | 0.872 | 0.872 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 195 | ASP | -1 | -0.771 | -0.871 | 12.259 | -4.020 | -4.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 196 | SER | 0 | 0.022 | -0.051 | 13.871 | 0.654 | 0.654 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 197 | VAL | 0 | -0.066 | -0.013 | 14.588 | 0.355 | 0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 198 | LYS | 1 | 0.873 | 0.926 | 13.175 | 3.011 | 3.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 199 | LYS | 1 | 0.822 | 0.915 | 17.973 | 1.682 | 1.682 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 200 | THR | 0 | -0.051 | -0.046 | 16.524 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 201 | TYR | 0 | 0.005 | -0.019 | 16.264 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 202 | SER | 0 | -0.017 | -0.009 | 14.041 | 0.419 | 0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 203 | LEU | 0 | -0.016 | -0.003 | 15.209 | -0.380 | -0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 204 | TYR | 0 | 0.008 | -0.012 | 12.545 | 0.306 | 0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 205 | ALA | 0 | 0.039 | 0.008 | 16.260 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 206 | ASN | 0 | 0.045 | 0.021 | 18.275 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 207 | GLY | 0 | 0.048 | 0.058 | 16.482 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 208 | THR | 0 | -0.042 | -0.006 | 17.498 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 209 | LYS | 1 | 0.848 | 0.905 | 15.451 | 1.351 | 1.351 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 210 | VAL | 0 | -0.053 | -0.020 | 17.594 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 211 | VAL | 0 | 0.010 | -0.006 | 19.543 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 212 | GLU | -1 | -0.825 | -0.877 | 16.611 | -2.283 | -2.283 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 213 | LYS | 1 | 0.866 | 0.925 | 19.329 | 1.273 | 1.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 214 | LYS | 1 | 0.976 | 1.000 | 20.562 | 1.057 | 1.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 215 | VAL | 0 | -0.012 | -0.011 | 22.038 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 216 | ASP | -1 | -0.860 | -0.932 | 23.817 | -1.119 | -1.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 217 | ASN | 0 | -0.008 | -0.015 | 25.992 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 218 | PHE | 0 | 0.005 | 0.015 | 16.369 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 219 | LEU | 0 | -0.054 | -0.010 | 21.020 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 220 | ASN | 0 | 0.065 | 0.038 | 15.668 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 221 | ILE | 0 | -0.007 | -0.028 | 14.075 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 222 | LYS | 1 | 0.868 | 0.940 | 16.456 | 2.969 | 2.969 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 223 | ASP | -1 | -0.848 | -0.896 | 18.960 | -1.895 | -1.895 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 224 | ILE | 0 | -0.032 | 0.000 | 20.480 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 225 | LYS | 1 | 0.866 | 0.925 | 22.780 | 1.473 | 1.473 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 226 | GLY | 0 | 0.006 | 0.000 | 25.158 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 227 | ILE | 0 | -0.021 | -0.015 | 19.828 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 228 | ASP | -1 | -0.822 | -0.882 | 23.142 | -1.375 | -1.375 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 229 | TYR | 0 | -0.002 | -0.009 | 23.294 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 230 | TYR | 0 | 0.051 | 0.019 | 16.585 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 231 | MET | 0 | -0.085 | -0.029 | 20.476 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 232 | LEU | 0 | 0.033 | 0.015 | 17.442 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 233 | GLY | 0 | 0.050 | 0.003 | 20.954 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 234 | GLY | 0 | 0.035 | 0.025 | 23.152 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 235 | VAL | 0 | 0.014 | 0.003 | 23.351 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 236 | LYS | 1 | 0.888 | 0.973 | 25.207 | 1.269 | 1.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 237 | ARG | 1 | 0.885 | 0.945 | 27.230 | 1.115 | 1.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 238 | ALA | 0 | 0.019 | 0.010 | 29.947 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 239 | GLY | 0 | 0.002 | 0.009 | 31.668 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 240 | LYS | 1 | 0.935 | 0.967 | 32.468 | 0.794 | 0.794 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 241 | THR | 0 | -0.017 | -0.006 | 28.662 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 242 | ALA | 0 | -0.011 | 0.002 | 28.732 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 243 | PHE | 0 | 0.023 | -0.005 | 26.114 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 244 | GLY | 0 | 0.048 | 0.041 | 27.036 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 245 | PHE | 0 | -0.025 | -0.011 | 23.713 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 246 | ASN | 0 | -0.041 | -0.017 | 26.893 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 247 | GLY | 0 | 0.059 | 0.035 | 26.464 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 248 | THR | 0 | -0.021 | -0.011 | 22.913 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 249 | LEU | 0 | 0.000 | -0.003 | 18.959 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 250 | GLU | -1 | -0.760 | -0.845 | 19.271 | -0.872 | -0.872 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 251 | ASN | 0 | -0.078 | -0.068 | 12.977 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 252 | ILE | 0 | -0.012 | 0.010 | 13.750 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 253 | LYS | 1 | 0.855 | 0.937 | 7.977 | 3.320 | 3.320 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 254 | PHE | 0 | 0.047 | 0.015 | 9.889 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 256 | ASN | 0 | -0.023 | -0.009 | 6.740 | -0.455 | -0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 257 | SER | 0 | 0.025 | 0.006 | 4.902 | -1.175 | -1.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 258 | ALA | 0 | 0.021 | 0.029 | 7.333 | -0.613 | -0.613 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 260 | ASP | -1 | -0.791 | -0.875 | 6.368 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 261 | GLU | -1 | -0.802 | -0.901 | 8.961 | -1.452 | -1.452 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 262 | GLU | -1 | -0.816 | -0.895 | 11.457 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 263 | THR | 0 | -0.055 | -0.052 | 5.183 | 1.242 | 1.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 264 | VAL | 0 | 0.002 | -0.008 | 8.186 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 265 | LYS | 1 | 0.859 | 0.927 | 10.039 | 0.713 | 0.713 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 266 | LYS | 1 | 0.959 | 0.994 | 9.354 | -2.418 | -2.418 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 267 | MET | 0 | -0.066 | -0.039 | 7.188 | -0.453 | -0.453 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 268 | THR | 0 | -0.042 | -0.027 | 11.235 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 269 | THR | 0 | -0.050 | -0.031 | 14.487 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 270 | ASN | 0 | -0.026 | -0.034 | 16.839 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 271 | ALA | 0 | 0.028 | 0.002 | 19.545 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 272 | VAL | 0 | -0.019 | -0.002 | 22.546 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 273 | THR | 0 | 0.028 | -0.017 | 20.094 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 274 | GLY | 0 | -0.018 | -0.004 | 22.651 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 275 | HIS | 1 | 0.824 | 0.919 | 25.193 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 276 | LEU | 0 | -0.010 | 0.003 | 23.790 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 277 | ILE | 0 | -0.006 | 0.011 | 27.585 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 278 | TYR | 0 | 0.024 | -0.007 | 29.699 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 279 | THR | 0 | -0.087 | -0.051 | 24.243 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 280 | ALA | 0 | -0.034 | -0.028 | 23.787 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 281 | ASN | 0 | -0.034 | -0.028 | 23.777 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 282 | ASP | -1 | -0.721 | -0.815 | 25.459 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 283 | THR | 0 | -0.043 | -0.059 | 27.291 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 284 | THR | 0 | -0.062 | -0.049 | 30.130 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 285 | GLY | 0 | 0.059 | 0.037 | 29.570 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 286 | SER | 0 | -0.023 | -0.016 | 30.338 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 287 | ASN | 0 | -0.013 | -0.036 | 25.464 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 288 | TYR | 0 | -0.059 | -0.018 | 27.702 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 289 | PHE | 0 | 0.028 | 0.024 | 28.548 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 290 | ARG | 1 | 0.798 | 0.880 | 33.047 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 291 | ILE | 0 | -0.015 | -0.001 | 36.104 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 292 | PRO | 0 | 0.010 | 0.017 | 36.117 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 293 | VAL | 0 | -0.032 | -0.015 | 38.151 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 294 | LEU | 0 | -0.028 | -0.021 | 37.607 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 295 | TYR | 0 | -0.005 | -0.012 | 41.385 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 296 | THR | 0 | -0.017 | -0.010 | 43.417 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 297 | PHE | 0 | -0.010 | -0.006 | 43.785 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 298 | SER | 0 | -0.062 | -0.054 | 46.865 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 299 | ASN | 0 | 0.014 | 0.009 | 44.790 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 300 | GLY | 0 | -0.003 | 0.004 | 44.906 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 301 | ARG | 1 | 0.694 | 0.818 | 40.598 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 302 | VAL | 0 | -0.020 | -0.011 | 38.881 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 303 | PHE | 0 | 0.033 | 0.000 | 39.331 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 304 | SER | 0 | -0.022 | -0.019 | 36.873 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 305 | SER | 0 | 0.013 | -0.013 | 38.926 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 306 | ILE | 0 | -0.041 | -0.004 | 33.539 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 307 | ASP | -1 | -0.747 | -0.866 | 37.745 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 308 | ALA | 0 | 0.007 | -0.007 | 34.193 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 309 | ARG | 1 | 0.747 | 0.851 | 34.224 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 310 | TYR | 0 | 0.018 | -0.001 | 32.761 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 311 | GLY | 0 | 0.001 | 0.006 | 32.597 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 312 | GLY | 0 | -0.003 | -0.011 | 32.275 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 313 | THR | 0 | 0.010 | -0.011 | 32.258 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 314 | HIS | 0 | -0.067 | -0.027 | 34.875 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 315 | ASP | -1 | -0.823 | -0.893 | 38.330 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 316 | PHE | 0 | -0.003 | -0.010 | 41.559 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 317 | LEU | 0 | -0.018 | -0.007 | 42.602 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 318 | ASN | 0 | 0.021 | -0.026 | 36.486 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 319 | LYS | 1 | 0.828 | 0.911 | 37.438 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 320 | ILE | 0 | -0.052 | -0.020 | 37.949 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 321 | ASN | 0 | 0.049 | 0.021 | 37.089 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 322 | ILE | 0 | -0.003 | 0.015 | 38.542 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 323 | ALA | 0 | -0.012 | -0.006 | 35.498 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 324 | THR | 0 | 0.003 | -0.028 | 37.396 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 325 | SER | 0 | 0.006 | -0.002 | 33.172 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 326 | TYR | 0 | 0.011 | 0.009 | 35.766 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 327 | SER | 0 | 0.035 | 0.020 | 34.983 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 328 | ASP | -1 | -0.746 | -0.846 | 36.660 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 329 | ASP | -1 | -0.786 | -0.866 | 33.468 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 330 | ASN | 0 | -0.029 | -0.032 | 36.691 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 331 | GLY | 0 | 0.043 | 0.026 | 35.238 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 332 | LYS | 1 | 0.837 | 0.915 | 31.699 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 333 | THR | 0 | -0.066 | -0.057 | 29.134 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 334 | TRP | 0 | 0.009 | -0.001 | 30.490 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 335 | THR | 0 | -0.024 | 0.004 | 30.746 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 336 | LYS | 1 | 0.947 | 0.975 | 25.787 | -0.559 | -0.559 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 337 | PRO | 0 | 0.034 | 0.032 | 30.012 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 338 | LYS | 1 | 0.960 | 1.007 | 33.034 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 339 | LEU | 0 | -0.013 | -0.005 | 35.361 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 340 | THR | 0 | -0.076 | -0.016 | 37.965 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 341 | LEU | 0 | 0.006 | 0.012 | 41.452 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 342 | ALA | 0 | 0.027 | 0.004 | 40.147 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 343 | PHE | 0 | 0.002 | 0.014 | 42.063 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 344 | ASP | -1 | -0.838 | -0.897 | 41.150 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 345 | ASP | -1 | -0.743 | -0.859 | 42.049 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 346 | PHE | 0 | -0.047 | -0.023 | 38.742 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 347 | ALA | 0 | 0.032 | 0.015 | 35.590 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 348 | PRO | 0 | -0.041 | -0.019 | 34.522 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 349 | VAL | 0 | -0.012 | -0.004 | 30.788 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 350 | PRO | 0 | 0.020 | 0.022 | 26.348 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 351 | LEU | 0 | -0.019 | -0.015 | 28.528 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 352 | GLU | -1 | -0.821 | -0.875 | 24.153 | -0.666 | -0.666 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 353 | TRP | 0 | 0.001 | -0.017 | 27.363 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 354 | PRO | 0 | -0.014 | 0.012 | 29.029 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 355 | ARG | 1 | 0.879 | 0.896 | 27.291 | 0.801 | 0.801 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 356 | GLU | -1 | -0.852 | -0.921 | 28.460 | -0.828 | -0.828 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 357 | VAL | 0 | -0.035 | -0.028 | 32.025 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 358 | GLY | 0 | 0.033 | 0.026 | 35.602 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 359 | GLY | 0 | 0.016 | 0.007 | 33.852 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 360 | ARG | 1 | 0.931 | 0.985 | 33.483 | 0.606 | 0.606 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 361 | ASP | -1 | -0.781 | -0.877 | 34.841 | -0.391 | -0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 362 | LEU | 0 | -0.050 | -0.005 | 36.274 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 363 | GLN | 0 | 0.018 | 0.027 | 37.315 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 364 | ILE | 0 | -0.003 | -0.001 | 37.304 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 365 | SER | 0 | -0.048 | -0.063 | 39.905 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 366 | GLY | 0 | -0.003 | 0.000 | 42.165 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 367 | GLY | 0 | 0.016 | 0.016 | 42.000 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 368 | ALA | 0 | -0.034 | -0.029 | 42.954 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 369 | THR | 0 | -0.044 | -0.031 | 42.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 370 | TYR | 0 | -0.019 | -0.004 | 43.027 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 371 | ILE | 0 | -0.027 | -0.020 | 42.205 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 372 | ASP | -1 | -0.834 | -0.932 | 42.923 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 373 | SER | 0 | -0.014 | 0.003 | 42.351 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 374 | VAL | 0 | -0.003 | -0.002 | 44.800 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 375 | ILE | 0 | -0.007 | 0.003 | 43.106 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 376 | VAL | 0 | 0.013 | -0.001 | 47.672 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 377 | GLU | -1 | -0.765 | -0.849 | 49.719 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 378 | LYS | 1 | 0.846 | 0.936 | 51.529 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 379 | LYS | 1 | 0.904 | 0.932 | 54.935 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 380 | ASN | 0 | -0.011 | -0.015 | 56.735 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 381 | LYS | 1 | 0.910 | 0.949 | 52.121 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 382 | GLN | 0 | -0.020 | 0.010 | 51.548 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 383 | VAL | 0 | -0.005 | 0.003 | 46.928 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 384 | LEU | 0 | -0.033 | -0.021 | 50.220 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 385 | MET | 0 | -0.006 | 0.001 | 42.774 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 386 | PHE | 0 | 0.005 | -0.010 | 48.457 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 387 | ALA | 0 | 0.020 | -0.005 | 46.007 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 388 | ASP | -1 | -0.793 | -0.885 | 47.390 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 389 | VAL | 0 | -0.046 | -0.030 | 47.149 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 390 | MET | 0 | -0.036 | -0.007 | 46.795 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 391 | PRO | 0 | 0.007 | 0.009 | 47.774 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 392 | ALA | 0 | 0.010 | -0.001 | 46.286 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 393 | GLY | 0 | -0.013 | 0.002 | 46.319 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 394 | VAL | 0 | -0.057 | -0.016 | 47.498 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 395 | SER | 0 | 0.033 | 0.014 | 47.377 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 396 | PHE | 0 | 0.072 | 0.013 | 47.306 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 397 | ARG | 1 | 0.786 | 0.892 | 49.143 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 398 | GLU | -1 | -0.837 | -0.910 | 50.858 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 399 | ALA | 0 | -0.025 | 0.017 | 52.666 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 400 | THR | 0 | -0.028 | -0.011 | 54.242 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 401 | ARG | 1 | 0.940 | 0.958 | 53.437 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 402 | LYS | 1 | 0.922 | 0.963 | 59.707 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 403 | ASP | -1 | -0.804 | -0.887 | 61.405 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 404 | SER | 0 | 0.035 | 0.025 | 60.374 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 405 | GLY | 0 | -0.012 | -0.013 | 59.535 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 406 | TYR | 0 | -0.032 | -0.036 | 59.184 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 407 | LYS | 1 | 0.790 | 0.881 | 63.511 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 408 | GLN | 0 | 0.021 | 0.002 | 67.061 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 409 | ILE | 0 | -0.038 | -0.018 | 69.465 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 410 | ASP | -1 | -0.874 | -0.940 | 71.946 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 411 | GLY | 0 | -0.029 | -0.007 | 73.622 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 412 | ASN | 0 | -0.019 | 0.002 | 68.720 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 413 | TYR | 0 | -0.039 | -0.031 | 65.130 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 414 | TYR | 0 | 0.040 | 0.022 | 64.462 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 415 | LEU | 0 | 0.009 | 0.013 | 57.172 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 416 | LYS | 1 | 0.787 | 0.881 | 61.828 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 417 | LEU | 0 | 0.002 | -0.010 | 58.312 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 418 | ARG | 1 | 0.858 | 0.932 | 59.314 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 419 | LYS | 1 | 0.964 | 0.998 | 60.177 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 420 | GLN | 0 | 0.029 | 0.007 | 56.688 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 421 | GLY | 0 | -0.001 | -0.003 | 59.992 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 422 | ASP | -1 | -0.842 | -0.905 | 62.872 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 423 | THR | 0 | -0.012 | -0.009 | 63.612 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 424 | ASP | -1 | -0.865 | -0.924 | 64.812 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 425 | TYR | 0 | -0.025 | -0.037 | 59.884 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 426 | ASN | 0 | -0.017 | -0.030 | 65.054 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 427 | TYR | 0 | -0.044 | -0.008 | 64.186 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 428 | THR | 0 | 0.006 | -0.009 | 64.280 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 429 | ILE | 0 | -0.034 | 0.002 | 58.625 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 430 | ARG | 1 | 0.847 | 0.900 | 63.026 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 431 | GLU | -1 | -0.785 | -0.867 | 64.038 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 432 | ASN | 0 | -0.054 | -0.037 | 62.828 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 433 | GLY | 0 | 0.040 | 0.038 | 60.516 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 434 | THR | 0 | -0.035 | -0.028 | 61.444 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 435 | VAL | 0 | -0.011 | -0.001 | 61.362 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 436 | TYR | 0 | -0.017 | -0.037 | 64.394 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 437 | ASP | -1 | -0.814 | -0.894 | 67.309 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 438 | ASP | -1 | -0.732 | -0.850 | 68.363 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 439 | ARG | 1 | 0.797 | 0.885 | 69.060 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 440 | THR | 0 | -0.051 | -0.031 | 73.068 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 441 | ASN | 0 | 0.013 | 0.021 | 73.268 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 442 | ARG | 1 | 0.948 | 1.004 | 70.342 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 443 | PRO | 0 | 0.049 | 0.028 | 69.065 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 444 | THR | 0 | -0.086 | -0.062 | 65.726 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 445 | GLU | -1 | -0.806 | -0.882 | 64.554 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 446 | PHE | 0 | -0.019 | -0.016 | 60.297 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 447 | SER | 0 | 0.000 | -0.001 | 60.561 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 448 | VAL | 0 | -0.025 | -0.009 | 55.796 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 449 | ASP | -1 | -0.806 | -0.874 | 52.837 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 450 | LYS | 1 | 0.986 | 0.965 | 54.044 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 451 | ASN | 0 | 0.006 | 0.007 | 49.099 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 452 | PHE | 0 | -0.007 | -0.010 | 50.453 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 453 | GLY | 0 | 0.033 | 0.026 | 52.056 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 454 | ILE | 0 | -0.033 | -0.031 | 52.647 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 455 | LYS | 1 | 0.908 | 0.965 | 55.000 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 456 | GLN | 0 | -0.012 | -0.029 | 57.584 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 457 | ASN | 0 | -0.028 | -0.033 | 60.237 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 458 | GLY | 0 | -0.014 | 0.002 | 60.154 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 459 | ASN | 0 | -0.004 | 0.005 | 56.731 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 460 | TYR | 0 | -0.051 | -0.065 | 52.374 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 461 | LEU | 0 | 0.003 | 0.013 | 54.134 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 462 | THR | 0 | -0.020 | -0.012 | 48.846 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 463 | VAL | 0 | -0.015 | -0.013 | 46.903 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 464 | GLU | -1 | -0.837 | -0.909 | 43.103 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 465 | GLN | 0 | -0.016 | 0.003 | 38.387 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 466 | TYR | 0 | -0.058 | -0.058 | 40.518 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 467 | SER | 0 | 0.019 | 0.017 | 34.822 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 468 | VAL | 0 | -0.025 | -0.016 | 34.502 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 469 | SER | 0 | -0.005 | 0.002 | 31.131 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 470 | PHE | 0 | 0.031 | -0.012 | 29.510 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 471 | GLU | -1 | -0.910 | -0.937 | 27.658 | -0.386 | -0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 472 | ASN | 0 | 0.016 | 0.001 | 27.143 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 473 | ASN | 0 | -0.054 | -0.039 | 28.761 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 474 | LYS | 1 | 0.917 | 0.972 | 31.667 | 0.368 | 0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 475 | LYS | 1 | 0.894 | 0.964 | 33.471 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 476 | THR | 0 | -0.030 | -0.022 | 34.817 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 477 | GLU | -1 | -0.767 | -0.851 | 36.433 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 478 | TYR | 0 | -0.004 | -0.003 | 34.132 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 479 | ARG | 1 | 0.882 | 0.941 | 39.604 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 480 | ASN | 0 | 0.013 | -0.020 | 37.069 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 481 | GLY | 0 | 0.026 | 0.020 | 38.523 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 482 | THR | 0 | -0.030 | -0.019 | 38.754 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 483 | LYS | 1 | 0.802 | 0.895 | 41.360 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 484 | VAL | 0 | 0.020 | 0.020 | 42.753 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 485 | HIS | 0 | 0.048 | 0.016 | 45.688 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 486 | MET | 0 | -0.015 | 0.043 | 48.770 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 487 | ASN | 0 | 0.059 | 0.020 | 49.252 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 488 | ILE | 0 | 0.021 | 0.021 | 51.512 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 489 | PHE | 0 | 0.013 | 0.004 | 49.560 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 490 | TYR | 0 | -0.025 | -0.041 | 45.668 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 491 | LYS | 1 | 0.902 | 0.944 | 44.869 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 492 | ASP | -1 | -0.800 | -0.872 | 48.102 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 493 | ALA | 0 | -0.019 | 0.001 | 51.137 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 494 | LEU | 0 | -0.009 | -0.026 | 53.580 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 495 | PHE | 0 | -0.003 | -0.014 | 56.822 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 496 | LYS | 1 | 0.805 | 0.910 | 53.224 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 497 | VAL | 0 | 0.055 | 0.031 | 54.493 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 498 | VAL | 0 | 0.004 | 0.011 | 57.084 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 499 | PRO | 0 | -0.008 | 0.006 | 54.356 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 500 | THR | 0 | -0.020 | -0.043 | 54.470 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 501 | ASN | 0 | 0.030 | 0.013 | 51.667 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 502 | TYR | 0 | -0.026 | -0.032 | 52.185 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 503 | ILE | 0 | 0.034 | 0.027 | 51.836 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 504 | ALA | 0 | -0.024 | -0.011 | 50.449 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 505 | TYR | 0 | -0.003 | -0.001 | 50.760 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 506 | ILE | 0 | 0.013 | 0.024 | 45.830 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 507 | SER | 0 | -0.013 | -0.021 | 50.449 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 508 | SER | 0 | 0.035 | 0.024 | 46.607 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 509 | ASN | 0 | 0.018 | -0.006 | 49.029 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 510 | ASP | -1 | -0.750 | -0.838 | 45.815 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 511 | HIS | 0 | -0.029 | -0.020 | 45.235 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 512 | GLY | 0 | 0.043 | 0.019 | 43.310 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 513 | GLU | -1 | -0.882 | -0.909 | 40.593 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 514 | SER | 0 | -0.139 | -0.107 | 41.814 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 515 | TRP | 0 | 0.016 | -0.015 | 42.869 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 516 | SER | 0 | -0.057 | -0.017 | 47.009 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 517 | ALA | 0 | 0.013 | 0.007 | 49.056 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 518 | PRO | 0 | -0.013 | -0.003 | 49.241 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 519 | THR | 0 | -0.031 | -0.005 | 51.568 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 520 | LEU | 0 | -0.005 | -0.006 | 53.378 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 521 | LEU | 0 | 0.019 | 0.008 | 55.794 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 522 | PRO | 0 | 0.032 | 0.026 | 57.979 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 523 | PRO | 0 | 0.014 | 0.030 | 60.876 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 524 | ILE | 0 | -0.024 | -0.027 | 59.600 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 525 | MET | 0 | -0.017 | 0.006 | 60.000 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 526 | GLY | 0 | 0.013 | 0.004 | 63.240 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 527 | LEU | 0 | -0.001 | -0.011 | 64.387 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 528 | ASN | 0 | -0.008 | 0.001 | 64.826 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 529 | ARG | 1 | 0.807 | 0.881 | 61.325 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 530 | ASN | 0 | -0.001 | -0.002 | 55.684 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 531 | ALA | 0 | -0.010 | 0.002 | 55.284 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 532 | PRO | 0 | -0.022 | -0.015 | 55.357 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 533 | TYR | 0 | -0.024 | 0.001 | 50.269 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 534 | LEU | 0 | 0.013 | 0.005 | 48.851 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 535 | GLY | 0 | -0.032 | -0.020 | 49.077 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 536 | PRO | 0 | -0.013 | -0.003 | 44.077 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 537 | GLY | 0 | 0.046 | 0.022 | 44.633 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 538 | ARG | 1 | 0.842 | 0.919 | 45.257 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 539 | GLY | 0 | 0.027 | 0.012 | 48.380 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 540 | ILE | 0 | -0.049 | -0.032 | 51.659 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 541 | ILE | 0 | -0.037 | -0.026 | 54.424 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 542 | GLU | -1 | -0.744 | -0.804 | 57.567 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 543 | SER | 0 | -0.081 | -0.087 | 60.479 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 544 | SER | 0 | -0.091 | -0.074 | 62.126 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 545 | THR | 0 | -0.033 | -0.050 | 64.615 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 546 | GLY | 0 | -0.012 | 0.007 | 62.136 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 547 | ARG | 1 | 0.792 | 0.873 | 61.429 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 548 | ILE | 0 | -0.035 | -0.010 | 56.271 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 549 | LEU | 0 | 0.000 | -0.008 | 57.065 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 550 | ILE | 0 | 0.014 | -0.001 | 52.604 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 551 | PRO | 0 | -0.021 | 0.008 | 51.108 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 552 | SER | 0 | -0.006 | -0.021 | 52.472 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 553 | TYR | 0 | 0.004 | 0.006 | 48.608 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 554 | THR | 0 | 0.046 | -0.019 | 54.881 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 555 | GLY | 0 | -0.001 | 0.006 | 54.882 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 556 | LYS | 1 | 0.897 | 0.928 | 55.740 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 557 | GLU | -1 | -0.790 | -0.823 | 59.035 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 558 | SER | 0 | 0.047 | 0.025 | 57.397 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 559 | ALA | 0 | -0.012 | -0.017 | 57.434 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 560 | PHE | 0 | 0.025 | 0.025 | 56.666 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 561 | ILE | 0 | 0.030 | 0.023 | 55.658 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 562 | TYR | 0 | -0.041 | -0.019 | 58.308 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 563 | SER | 0 | 0.010 | 0.004 | 60.411 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 564 | ASP | -1 | -0.789 | -0.883 | 62.125 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 565 | ASP | -1 | -0.788 | -0.855 | 63.692 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 566 | ASN | 0 | -0.042 | -0.033 | 59.237 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 567 | GLY | 0 | 0.035 | 0.005 | 58.900 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 568 | ALA | 0 | -0.064 | -0.012 | 59.571 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 569 | SER | 0 | -0.091 | -0.078 | 62.356 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 570 | TRP | 0 | 0.024 | -0.003 | 56.779 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 571 | LYS | 1 | 0.933 | 0.974 | 62.132 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 572 | VAL | 0 | 0.032 | 0.009 | 60.312 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 573 | LYS | 1 | 0.861 | 0.955 | 62.063 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 574 | VAL | 0 | 0.009 | 0.003 | 61.949 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 575 | VAL | 0 | 0.003 | 0.002 | 61.804 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 576 | PRO | 0 | -0.005 | -0.010 | 61.751 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 577 | LEU | 0 | -0.006 | 0.014 | 57.375 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 578 | PRO | 0 | -0.010 | -0.011 | 60.354 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 579 | SER | 0 | -0.010 | 0.003 | 58.458 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 580 | SER | 0 | -0.033 | -0.009 | 56.157 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 581 | TRP | 0 | 0.008 | -0.001 | 54.364 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 582 | SER | 0 | 0.020 | 0.005 | 49.640 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 583 | ALA | 0 | 0.020 | 0.018 | 50.824 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 584 | GLU | -1 | -0.796 | -0.865 | 46.241 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 585 | ALA | 0 | 0.008 | -0.006 | 50.043 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 586 | GLN | 0 | 0.005 | 0.009 | 47.736 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 587 | PHE | 0 | -0.009 | -0.007 | 51.210 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 588 | VAL | 0 | 0.015 | 0.011 | 52.816 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 589 | GLU | -1 | -0.762 | -0.846 | 55.158 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 590 | LEU | 0 | -0.028 | 0.006 | 57.798 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 591 | SER | 0 | 0.007 | -0.001 | 60.142 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 592 | PRO | 0 | 0.072 | 0.038 | 63.053 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 593 | GLY | 0 | 0.036 | 0.027 | 64.530 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 594 | VAL | 0 | -0.106 | -0.046 | 62.867 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 595 | ILE | 0 | 0.012 | 0.013 | 58.347 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 596 | GLN | 0 | 0.027 | 0.011 | 57.647 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 597 | ALA | 0 | 0.002 | 0.003 | 55.676 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 598 | TYR | 0 | 0.005 | -0.011 | 52.081 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 599 | MET | 0 | -0.021 | -0.020 | 51.696 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 600 | ARG | 1 | 0.792 | 0.898 | 45.852 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 601 | THR | 0 | -0.033 | -0.037 | 50.721 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 602 | ASN | 0 | 0.001 | -0.013 | 51.465 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 603 | ASN | 0 | 0.006 | -0.016 | 53.311 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 604 | GLY | 0 | 0.054 | 0.031 | 50.373 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 605 | LYS | 1 | 0.889 | 0.973 | 50.668 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 606 | ILE | 0 | 0.034 | 0.036 | 48.140 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 607 | ALA | 0 | -0.007 | -0.007 | 52.276 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 608 | TYR | 0 | -0.056 | -0.040 | 54.756 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 609 | LEU | 0 | 0.002 | 0.008 | 57.230 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 610 | THR | 0 | 0.054 | 0.017 | 59.856 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 611 | SER | 0 | -0.003 | 0.003 | 62.464 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 612 | LYS | 1 | 0.959 | 0.960 | 64.400 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 613 | ASP | -1 | -0.720 | -0.826 | 66.742 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 614 | ALA | 0 | 0.024 | 0.020 | 63.966 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 615 | GLY | 0 | 0.028 | 0.017 | 62.854 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 616 | THR | 0 | -0.067 | -0.034 | 63.762 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 617 | THR | 0 | -0.092 | -0.081 | 67.151 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 618 | TRP | 0 | -0.002 | -0.010 | 59.544 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 619 | SER | 0 | -0.013 | -0.002 | 63.850 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 620 | ALA | 0 | 0.016 | 0.010 | 64.467 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 621 | PRO | 0 | -0.048 | -0.030 | 59.720 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 622 | GLU | -1 | -0.861 | -0.901 | 60.541 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 623 | TYR | 0 | -0.005 | -0.029 | 56.222 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 624 | LEU | 0 | -0.009 | 0.014 | 51.764 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 625 | LYS | 1 | 0.945 | 0.957 | 54.568 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 626 | PHE | 0 | 0.011 | 0.019 | 49.602 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 627 | VAL | 0 | -0.013 | 0.002 | 47.733 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 628 | SER | 0 | -0.048 | -0.018 | 48.721 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 629 | ASN | 0 | 0.005 | -0.001 | 45.273 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 630 | PRO | 0 | 0.008 | 0.008 | 44.029 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 631 | SER | 0 | -0.020 | -0.014 | 47.356 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 632 | TYR | 0 | 0.034 | 0.017 | 43.151 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 633 | GLY | 0 | 0.035 | 0.033 | 47.109 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 634 | THR | 0 | -0.012 | -0.017 | 41.653 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 635 | GLN | 0 | 0.009 | 0.024 | 43.107 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 636 | LEU | 0 | -0.012 | 0.003 | 44.131 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 637 | SER | 0 | 0.034 | 0.015 | 43.952 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 638 | ILE | 0 | -0.044 | -0.018 | 45.902 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 639 | ILE | 0 | -0.013 | 0.009 | 45.860 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 640 | ASN | 0 | 0.020 | -0.009 | 49.556 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 641 | TYR | 0 | -0.052 | -0.044 | 46.965 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 642 | SER | 0 | -0.053 | -0.061 | 50.407 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 643 | GLN | 0 | -0.025 | -0.007 | 50.209 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 644 | LEU | 0 | -0.021 | -0.009 | 52.857 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 645 | ILE | 0 | -0.002 | -0.006 | 49.667 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 646 | ASP | -1 | -0.784 | -0.861 | 53.774 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 647 | GLY | 0 | 0.013 | 0.009 | 56.256 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 648 | LYS | 1 | 0.908 | 0.953 | 57.461 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 649 | LYS | 1 | 0.940 | 0.962 | 56.326 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 650 | ALA | 0 | 0.024 | 0.020 | 51.903 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 651 | VAL | 0 | -0.011 | -0.003 | 51.813 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 652 | ILE | 0 | -0.012 | -0.004 | 45.349 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 653 | LEU | 0 | 0.001 | 0.000 | 47.256 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 654 | SER | 0 | 0.006 | 0.002 | 41.698 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 655 | THR | 0 | -0.006 | -0.032 | 43.267 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 656 | PRO | 0 | 0.005 | 0.024 | 40.727 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 657 | ASN | 0 | -0.022 | -0.001 | 42.266 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 658 | SER | 0 | 0.064 | 0.027 | 42.171 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 659 | THR | 0 | 0.031 | 0.008 | 44.134 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 660 | ASN | 0 | -0.053 | -0.023 | 41.579 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 661 | GLY | 0 | 0.009 | 0.010 | 40.157 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 662 | ARG | 1 | 0.810 | 0.901 | 38.836 | 0.319 | 0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 663 | LYS | 1 | 0.906 | 0.957 | 36.219 | 0.496 | 0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 664 | HIS | 0 | -0.046 | -0.031 | 38.112 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 665 | GLY | 0 | 0.039 | 0.015 | 38.142 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 666 | GLN | 0 | -0.051 | -0.018 | 39.392 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 667 | ILE | 0 | 0.025 | 0.015 | 39.611 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 668 | TRP | 0 | -0.017 | -0.027 | 43.275 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 669 | ILE | 0 | -0.021 | -0.016 | 46.794 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 670 | GLY | 0 | 0.026 | 0.007 | 49.515 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 671 | LEU | 0 | -0.038 | -0.026 | 53.178 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 672 | ILE | 0 | -0.033 | -0.015 | 55.984 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 673 | ASN | 0 | -0.023 | -0.012 | 58.959 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 674 | ASP | -1 | -0.886 | -0.950 | 62.321 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 675 | ASP | -1 | -0.853 | -0.894 | 64.992 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 676 | ASN | 0 | -0.089 | -0.058 | 62.765 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 677 | THR | 0 | -0.010 | -0.016 | 61.892 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 678 | ILE | 0 | -0.028 | -0.026 | 55.343 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 679 | ASP | -1 | -0.842 | -0.900 | 57.083 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 680 | TRP | 0 | -0.011 | -0.024 | 50.346 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 681 | ARG | 1 | 0.840 | 0.912 | 52.965 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 682 | TYR | 0 | 0.021 | -0.021 | 47.976 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 683 | HIS | 1 | 0.886 | 0.940 | 44.176 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 684 | HIS | 0 | 0.005 | 0.023 | 37.718 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 685 | ASP | -1 | -0.814 | -0.882 | 39.596 | -0.298 | -0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 686 | VAL | 0 | -0.024 | -0.015 | 34.916 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 687 | ASP | -1 | -0.713 | -0.824 | 30.690 | -0.599 | -0.599 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 688 | TYR | 0 | -0.040 | -0.033 | 31.106 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 689 | SER | 0 | 0.025 | 0.009 | 35.129 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 690 | ASN | 0 | 0.002 | -0.016 | 34.976 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 691 | TYR | 0 | -0.027 | -0.007 | 28.482 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 692 | GLY | 0 | -0.013 | 0.002 | 32.990 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 693 | TYR | 0 | -0.042 | -0.040 | 34.119 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 694 | SER | 0 | -0.014 | -0.035 | 36.751 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 695 | TYR | 0 | -0.051 | -0.058 | 38.655 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 696 | SER | 0 | -0.039 | -0.004 | 38.341 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 697 | THR | 0 | 0.025 | 0.026 | 39.172 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | A | 698 | LEU | 0 | 0.048 | 0.021 | 40.398 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | A | 699 | THR | 0 | -0.005 | -0.024 | 41.375 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | A | 700 | GLU | -1 | -0.733 | -0.811 | 43.009 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | A | 701 | LEU | 0 | -0.020 | 0.006 | 39.049 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | A | 702 | PRO | 0 | 0.018 | 0.006 | 41.925 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 621 | A | 703 | ASN | 0 | -0.038 | -0.023 | 40.080 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 622 | A | 704 | HIS | 1 | 0.839 | 0.916 | 44.080 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 623 | A | 705 | GLU | -1 | -0.823 | -0.872 | 39.205 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 624 | A | 706 | ILE | 0 | -0.020 | -0.011 | 41.465 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 625 | A | 707 | GLY | 0 | 0.024 | 0.016 | 38.472 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 626 | A | 708 | LEU | 0 | -0.025 | -0.014 | 36.440 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 627 | A | 709 | MET | 0 | -0.015 | -0.008 | 34.227 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 628 | A | 710 | PHE | 0 | 0.020 | -0.012 | 32.963 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 629 | A | 711 | GLU | -1 | -0.679 | -0.803 | 33.822 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
| 630 | A | 712 | LYS | 1 | 0.812 | 0.911 | 29.315 | 0.508 | 0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
| 631 | A | 713 | PHE | 0 | 0.020 | -0.012 | 31.104 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 632 | A | 714 | ASP | -1 | -0.759 | -0.854 | 33.034 | -0.369 | -0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
| 633 | A | 715 | SER | 0 | -0.058 | -0.055 | 35.854 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 634 | A | 716 | TRP | 0 | -0.043 | -0.020 | 37.222 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 635 | A | 717 | SER | 0 | -0.018 | -0.010 | 35.759 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 636 | A | 718 | ARG | 1 | 0.896 | 0.915 | 36.314 | 0.366 | 0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
| 637 | A | 719 | ASN | 0 | -0.029 | -0.015 | 31.731 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 638 | A | 720 | GLU | -1 | -0.876 | -0.940 | 31.610 | -0.648 | -0.648 | 0.000 | 0.000 | 0.000 | 0.000 |
| 639 | A | 721 | LEU | 0 | 0.027 | 0.027 | 32.267 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 640 | A | 722 | HIS | 0 | -0.026 | -0.015 | 30.391 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 641 | A | 723 | MET | 0 | -0.046 | 0.006 | 27.347 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 642 | A | 724 | LYS | 1 | 0.889 | 0.923 | 22.423 | 0.725 | 0.725 | 0.000 | 0.000 | 0.000 | 0.000 |
| 643 | A | 725 | ASN | 0 | 0.031 | -0.008 | 22.141 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 644 | A | 726 | VAL | 0 | 0.013 | 0.023 | 25.957 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 645 | A | 727 | VAL | 0 | -0.001 | -0.006 | 28.721 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 646 | A | 728 | PRO | 0 | -0.014 | 0.012 | 28.857 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 647 | A | 729 | TYR | 0 | 0.038 | 0.017 | 30.656 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 648 | A | 730 | ILE | 0 | -0.054 | -0.029 | 31.530 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 649 | A | 731 | THR | 0 | 0.040 | 0.031 | 33.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 650 | A | 732 | PHE | 0 | -0.022 | -0.025 | 36.151 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 651 | A | 733 | LYS | 1 | 0.924 | 0.965 | 38.398 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 652 | A | 734 | ILE | 0 | 0.056 | 0.014 | 41.740 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 653 | A | 735 | GLU | -1 | -0.897 | -0.950 | 42.301 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 654 | A | 736 | ASP | -1 | -0.821 | -0.918 | 38.767 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 655 | A | 737 | LEU | 0 | -0.011 | -0.014 | 41.063 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 656 | A | 738 | LYS | 1 | 0.839 | 0.942 | 43.593 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 657 | A | 739 | LYS | 1 | 0.811 | 0.906 | 41.521 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 658 | A | 740 | ASN | 0 | -0.116 | -0.080 | 43.551 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 659 | A | 741 | LEU | -1 | -0.863 | -0.907 | 47.724 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |