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: JYRL9
Calculation Name: 4RXH-B-Xray547
Preferred Name: Large T antigen
Target Type: SINGLE PROTEIN
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 4RXH
Chain ID: B
ChEMBL ID: CHEMBL1075257
UniProt ID: P03070
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 | 426 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -6716142.06176 |
|---|---|
| FMO2-HF: Nuclear repulsion | 6552211.14774 |
| FMO2-HF: Total energy | -163930.91402 |
| FMO2-MP2: Total energy | -164405.039538 |
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:82:ASP)
Summations of interaction energy for
fragment #1(A:82:ASP)
| 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. |
| -54.061 | -52.998 | 14.586 | -7.043 | -8.605 | 0.067 |
Interaction energy analysis for fragmet #1(A:82:ASP)
| 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 | 84 | PRO | 0 | 0.066 | 0.029 | 2.677 | -5.124 | -1.544 | 1.176 | -1.705 | -3.051 | 0.010 |
| 4 | A | 85 | LYS | 1 | 0.974 | 0.974 | 1.792 | -58.800 | -61.773 | 13.401 | -5.150 | -5.278 | 0.058 |
| 5 | A | 86 | MET | 0 | -0.093 | -0.019 | 3.995 | -8.598 | -8.216 | 0.010 | -0.184 | -0.208 | -0.001 |
| 23 | A | 104 | LYS | 1 | 0.882 | 0.934 | 4.572 | 12.406 | 12.480 | -0.001 | -0.004 | -0.068 | 0.000 |
| 6 | A | 87 | VAL | 0 | 0.053 | 0.028 | 6.549 | 0.387 | 0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 88 | GLU | -1 | -0.933 | -0.964 | 7.636 | 6.459 | 6.459 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 89 | GLY | 0 | -0.023 | -0.016 | 8.778 | -0.414 | -0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 90 | VAL | 0 | -0.007 | -0.007 | 10.525 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 91 | PHE | 0 | 0.017 | -0.002 | 12.654 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 92 | SER | 0 | 0.012 | 0.036 | 13.459 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 93 | SER | 0 | 0.030 | 0.012 | 15.181 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 94 | GLU | -1 | -0.842 | -0.899 | 16.158 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 95 | ILE | 0 | 0.057 | 0.019 | 16.298 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 96 | ASP | -1 | -0.841 | -0.916 | 15.952 | -1.135 | -1.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 97 | LYS | 1 | 0.792 | 0.871 | 12.193 | -1.079 | -1.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 98 | GLN | 0 | -0.006 | -0.003 | 11.604 | -0.771 | -0.771 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 99 | ILE | 0 | 0.024 | 0.032 | 13.032 | -0.592 | -0.592 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 100 | GLN | 0 | -0.022 | -0.004 | 9.881 | -1.339 | -1.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 101 | ALA | 0 | -0.050 | -0.013 | 7.973 | -1.775 | -1.775 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 102 | THR | 0 | 0.030 | -0.005 | 8.981 | -1.170 | -1.170 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 103 | THR | 0 | -0.030 | -0.023 | 11.051 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 105 | PHE | 0 | 0.042 | 0.007 | 7.977 | -1.477 | -1.477 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 106 | ARG | 1 | 0.836 | 0.895 | 9.336 | 3.702 | 3.702 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 107 | LYS | 1 | 0.897 | 0.958 | 9.376 | 6.115 | 6.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 108 | LEU | 0 | -0.047 | -0.019 | 5.172 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 109 | LEU | 0 | -0.023 | -0.012 | 9.227 | 0.741 | 0.741 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 110 | SER | 0 | 0.002 | 0.001 | 12.509 | 0.822 | 0.822 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 111 | LYS | 1 | 0.861 | 0.953 | 9.887 | 5.463 | 5.463 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 112 | GLU | -1 | -0.938 | -0.963 | 13.870 | -2.041 | -2.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 113 | ARG | 1 | 0.977 | 0.972 | 16.093 | 1.921 | 1.921 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 114 | ASN | 0 | -0.030 | -0.015 | 15.206 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 115 | PRO | 0 | 0.085 | 0.053 | 12.707 | -0.392 | -0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 116 | PRO | 0 | -0.021 | -0.002 | 8.850 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 117 | ILE | 0 | 0.045 | 0.008 | 11.770 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 118 | GLU | -1 | -0.795 | -0.880 | 14.436 | -0.450 | -0.450 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 119 | GLU | -1 | -0.919 | -0.972 | 10.296 | -1.460 | -1.460 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 120 | VAL | 0 | -0.019 | -0.014 | 9.345 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 121 | ILE | 0 | 0.039 | 0.039 | 11.543 | 0.402 | 0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 122 | LYS | 1 | 0.827 | 0.912 | 13.341 | 0.390 | 0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 123 | THR | 0 | -0.094 | -0.057 | 9.104 | 0.363 | 0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 124 | GLY | 0 | 0.025 | 0.016 | 12.339 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 125 | VAL | 0 | -0.050 | -0.028 | 11.398 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 126 | VAL | 0 | 0.032 | 0.020 | 14.645 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 127 | GLY | 0 | 0.064 | 0.032 | 17.401 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 128 | ARG | 1 | 0.813 | 0.894 | 16.173 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 129 | PHE | 0 | -0.004 | -0.015 | 12.115 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 130 | VAL | 0 | 0.044 | 0.020 | 18.028 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 131 | GLU | -1 | -0.885 | -0.928 | 20.545 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 132 | PHE | 0 | -0.072 | -0.045 | 14.583 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 133 | LEU | 0 | 0.017 | 0.021 | 20.392 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 134 | ARG | 1 | 0.834 | 0.878 | 23.095 | 0.466 | 0.466 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 135 | SER | 0 | -0.017 | 0.009 | 21.400 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 136 | PRO | 0 | -0.004 | -0.008 | 23.916 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 137 | HIS | 0 | -0.018 | -0.008 | 21.605 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 138 | THR | 0 | 0.075 | 0.026 | 21.997 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 139 | LEU | 0 | 0.014 | 0.017 | 17.454 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 140 | VAL | 0 | -0.014 | -0.017 | 16.244 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 141 | GLN | 0 | 0.012 | 0.009 | 18.641 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 142 | PHE | 0 | 0.023 | 0.012 | 19.512 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 143 | GLU | -1 | -0.756 | -0.850 | 14.738 | -3.641 | -3.641 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 144 | ALA | 0 | -0.006 | -0.003 | 16.355 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 145 | ALA | 0 | 0.052 | 0.027 | 17.696 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 146 | TRP | 0 | 0.009 | 0.019 | 17.129 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 147 | ALA | 0 | -0.051 | -0.031 | 14.394 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 148 | LEU | 0 | 0.015 | -0.007 | 15.908 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 149 | THR | 0 | 0.014 | 0.003 | 18.947 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 150 | ASN | 0 | -0.010 | -0.013 | 16.355 | 0.312 | 0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 151 | ILE | 0 | -0.039 | -0.008 | 14.936 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 152 | ALA | 0 | -0.004 | -0.005 | 18.262 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 153 | SER | 0 | -0.056 | -0.037 | 19.687 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 154 | GLY | 0 | -0.014 | 0.006 | 20.502 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 155 | SER | 0 | -0.020 | -0.017 | 21.289 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 156 | ALA | 0 | 0.115 | 0.056 | 23.802 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 157 | THR | 0 | -0.035 | -0.024 | 22.860 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 158 | GLN | 0 | -0.064 | -0.038 | 18.430 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 159 | THR | 0 | 0.048 | 0.004 | 21.616 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 160 | GLN | 0 | 0.017 | 0.009 | 24.192 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 161 | VAL | 0 | -0.029 | -0.012 | 19.324 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 162 | VAL | 0 | -0.027 | -0.015 | 20.375 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 163 | ILE | 0 | -0.028 | -0.017 | 22.737 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 164 | GLU | -1 | -0.945 | -0.969 | 24.840 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 165 | ALA | 0 | -0.065 | -0.025 | 21.976 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 166 | GLY | 0 | 0.034 | 0.013 | 24.004 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 167 | ALA | 0 | -0.015 | -0.011 | 23.577 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 168 | VAL | 0 | 0.024 | 0.019 | 25.567 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 169 | PRO | 0 | 0.046 | 0.006 | 28.662 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 170 | ILE | 0 | -0.009 | 0.006 | 26.127 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 171 | PHE | 0 | 0.027 | 0.001 | 22.122 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 172 | VAL | 0 | -0.006 | 0.003 | 28.111 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 173 | GLU | -1 | -0.827 | -0.867 | 30.175 | -0.484 | -0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 174 | LEU | 0 | -0.036 | -0.021 | 25.217 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 175 | LEU | 0 | -0.013 | -0.003 | 29.588 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 176 | GLY | 0 | 0.001 | -0.001 | 32.118 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 177 | SER | 0 | -0.012 | 0.008 | 28.130 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 178 | PRO | 0 | 0.020 | 0.009 | 30.759 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 179 | GLU | -1 | -0.895 | -0.944 | 26.067 | -1.075 | -1.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 180 | PRO | 0 | 0.002 | -0.007 | 29.106 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 181 | ASP | -1 | -0.826 | -0.914 | 24.890 | -1.299 | -1.299 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 182 | VAL | 0 | -0.051 | -0.038 | 23.813 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 183 | ARG | 1 | 0.847 | 0.935 | 25.868 | 0.764 | 0.764 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 184 | GLU | -1 | -0.775 | -0.874 | 27.191 | -1.131 | -1.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 185 | GLN | 0 | -0.030 | -0.025 | 21.352 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 186 | ALA | 0 | -0.001 | 0.006 | 24.747 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 187 | VAL | 0 | 0.002 | 0.000 | 26.693 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 188 | TRP | 0 | 0.009 | 0.018 | 23.382 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 189 | ALA | 0 | -0.009 | 0.003 | 23.751 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 190 | LEU | 0 | -0.004 | -0.013 | 25.057 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 191 | GLY | 0 | 0.039 | 0.023 | 28.586 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 192 | ASN | 0 | -0.055 | -0.038 | 22.750 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 193 | ILE | 0 | -0.001 | -0.005 | 24.837 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 194 | ALA | 0 | -0.036 | -0.022 | 27.831 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 195 | GLY | 0 | 0.006 | -0.003 | 29.970 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 196 | ASP | -1 | -0.870 | -0.910 | 27.543 | -0.654 | -0.654 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 197 | SER | 0 | 0.004 | -0.019 | 29.728 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 198 | PRO | 0 | -0.030 | -0.011 | 33.226 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 199 | GLN | 0 | 0.019 | 0.007 | 34.774 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 200 | CYS | 0 | -0.008 | 0.013 | 30.429 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 201 | ARG | 1 | 0.759 | 0.849 | 32.489 | 0.399 | 0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 202 | ASP | -1 | -0.806 | -0.888 | 34.612 | -0.368 | -0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 203 | TYR | 0 | 0.008 | 0.010 | 29.774 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 204 | VAL | 0 | 0.024 | 0.015 | 30.809 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 205 | LEU | 0 | -0.044 | -0.024 | 33.583 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 206 | SER | 0 | -0.079 | -0.043 | 36.254 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 207 | CYS | 0 | -0.066 | -0.029 | 33.597 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 208 | GLY | 0 | 0.027 | 0.012 | 35.679 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 209 | ALA | 0 | -0.002 | -0.008 | 33.874 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 210 | LEU | 0 | 0.016 | 0.008 | 35.550 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 211 | ARG | 0 | 0.015 | 0.016 | 38.354 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 212 | PRO | 0 | 0.027 | 0.024 | 35.800 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 213 | LEU | 0 | 0.014 | 0.018 | 33.520 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 214 | LEU | 0 | -0.017 | -0.014 | 36.472 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 215 | THR | 0 | -0.033 | -0.015 | 39.296 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 216 | LEU | 0 | -0.014 | -0.009 | 33.328 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 217 | LEU | 0 | -0.022 | -0.015 | 36.971 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 218 | GLY | 0 | -0.046 | -0.002 | 39.214 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 219 | ASP | -1 | -0.888 | -0.944 | 39.652 | -0.487 | -0.487 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 220 | SER | 0 | -0.051 | -0.020 | 35.531 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 221 | ARG | 1 | 0.844 | 0.893 | 37.679 | 0.577 | 0.577 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 222 | LYS | 1 | 0.821 | 0.928 | 28.076 | 1.163 | 1.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 223 | LEU | 0 | 0.049 | 0.013 | 34.602 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 224 | SER | 0 | -0.026 | -0.036 | 29.324 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 225 | MET | 0 | 0.017 | 0.031 | 30.969 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 226 | LEU | 0 | -0.012 | 0.002 | 32.182 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 227 | ARG | 1 | 0.778 | 0.876 | 32.214 | 0.924 | 0.924 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 228 | ASN | 0 | -0.015 | -0.007 | 27.800 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 229 | ALA | 0 | 0.046 | 0.008 | 31.104 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 230 | THR | 0 | -0.015 | -0.025 | 33.691 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 231 | TRP | 0 | 0.006 | 0.023 | 27.777 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 232 | THR | 0 | -0.013 | -0.013 | 30.304 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 233 | LEU | 0 | -0.012 | -0.003 | 32.766 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 234 | SER | 0 | -0.035 | -0.027 | 34.866 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 235 | ASN | 0 | -0.002 | -0.025 | 30.823 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 236 | PHE | 0 | -0.033 | -0.023 | 32.352 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 237 | CYS | 0 | -0.037 | -0.008 | 36.743 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 238 | ARG | 1 | 0.946 | 0.999 | 34.954 | 0.654 | 0.654 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 239 | GLY | 0 | 0.008 | 0.013 | 38.360 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 240 | LYS | 1 | 0.853 | 0.876 | 39.627 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 241 | THR | 0 | -0.039 | 0.013 | 39.602 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 242 | PRO | 0 | 0.062 | 0.028 | 40.242 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 243 | GLN | 0 | 0.022 | -0.005 | 41.438 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 244 | PRO | 0 | 0.022 | 0.026 | 40.547 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 245 | ASP | -1 | -0.813 | -0.902 | 42.415 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 246 | TRP | 0 | 0.030 | 0.014 | 45.103 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 247 | ASN | 0 | -0.016 | -0.018 | 47.588 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 248 | THR | 0 | -0.047 | -0.034 | 41.941 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 249 | ILE | 0 | 0.013 | -0.008 | 40.472 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 250 | ALA | 0 | 0.044 | 0.034 | 43.947 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 251 | PRO | 0 | -0.028 | -0.021 | 44.851 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 252 | ALA | 0 | 0.025 | 0.009 | 42.424 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 253 | LEU | 0 | -0.004 | 0.006 | 44.057 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 254 | PRO | 0 | 0.020 | -0.002 | 47.137 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 255 | VAL | 0 | -0.032 | -0.006 | 41.752 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 256 | LEU | 0 | 0.025 | 0.007 | 41.121 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 257 | ALA | 0 | 0.025 | 0.009 | 44.549 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 258 | LYS | 1 | 0.909 | 0.956 | 45.693 | 0.441 | 0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 259 | LEU | 0 | 0.008 | 0.009 | 40.147 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 260 | VAL | 0 | 0.012 | 0.013 | 43.724 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 261 | TYR | 0 | -0.029 | -0.022 | 46.058 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 262 | SER | 0 | -0.037 | -0.010 | 41.055 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 263 | LEU | 0 | -0.012 | -0.014 | 43.352 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 264 | ASP | -1 | -0.795 | -0.874 | 37.026 | -0.788 | -0.788 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 265 | ASP | -1 | -0.775 | -0.911 | 39.726 | -0.582 | -0.582 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 266 | GLU | -1 | -0.898 | -0.946 | 32.701 | -0.944 | -0.944 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 267 | VAL | 0 | -0.010 | -0.005 | 36.786 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 268 | LEU | 0 | -0.022 | 0.003 | 38.253 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 269 | ILE | 0 | -0.016 | -0.008 | 37.979 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 270 | ASP | -1 | -0.831 | -0.926 | 34.672 | -0.731 | -0.731 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 271 | ALA | 0 | -0.016 | -0.009 | 38.310 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 272 | CYS | 0 | -0.029 | -0.014 | 41.308 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 273 | TRP | 0 | -0.011 | -0.008 | 38.789 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 274 | ALA | 0 | 0.034 | 0.030 | 39.759 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 275 | ILE | 0 | 0.012 | 0.002 | 41.297 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 276 | SER | 0 | -0.076 | -0.023 | 42.836 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 277 | TYR | 0 | -0.048 | -0.039 | 37.884 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 278 | LEU | 0 | -0.022 | -0.011 | 43.283 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 279 | SER | 0 | -0.004 | -0.020 | 45.959 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 280 | ASP | -1 | -0.841 | -0.879 | 46.837 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 281 | GLY | 0 | 0.013 | -0.013 | 48.397 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 282 | SER | 0 | -0.038 | -0.029 | 51.051 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 283 | ASN | 0 | 0.082 | 0.022 | 54.050 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 284 | ASP | -1 | -0.826 | -0.874 | 53.967 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 285 | LYS | 1 | 0.893 | 0.955 | 47.935 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 286 | ILE | 0 | 0.013 | 0.017 | 52.265 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 287 | GLN | 0 | -0.020 | -0.015 | 54.107 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 288 | ALA | 0 | 0.005 | 0.002 | 52.102 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 289 | VAL | 0 | -0.009 | -0.013 | 49.476 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 290 | ILE | 0 | -0.020 | -0.022 | 52.122 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 291 | GLU | -1 | -0.908 | -0.942 | 55.682 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 292 | ALA | 0 | -0.047 | -0.010 | 50.867 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 293 | GLY | 0 | -0.023 | -0.015 | 52.498 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 294 | ILE | 0 | -0.033 | -0.015 | 48.460 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 295 | PRO | 0 | 0.017 | 0.012 | 52.014 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 296 | ARG | 1 | 0.990 | 0.990 | 54.442 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 297 | ARG | 1 | 0.852 | 0.920 | 48.251 | 0.414 | 0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 298 | LEU | 0 | 0.021 | 0.006 | 48.163 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 299 | VAL | 0 | 0.003 | -0.006 | 51.146 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 300 | GLU | -1 | -0.903 | -0.938 | 52.767 | -0.355 | -0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 301 | LEU | 0 | -0.044 | -0.023 | 46.707 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 302 | LEU | 0 | -0.009 | 0.009 | 49.179 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 303 | MET | 0 | -0.023 | -0.007 | 51.387 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 304 | HIS | 0 | 0.001 | 0.020 | 44.246 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 305 | ALA | 0 | 0.020 | 0.005 | 47.080 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 306 | SER | 0 | 0.001 | 0.006 | 41.437 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 307 | THR | 0 | 0.034 | 0.004 | 43.803 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 308 | SER | 0 | -0.022 | -0.005 | 39.699 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 309 | VAL | 0 | 0.009 | 0.013 | 41.763 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 310 | GLN | 0 | -0.019 | -0.022 | 43.922 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 311 | THR | 0 | -0.048 | -0.030 | 43.587 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 312 | PRO | 0 | 0.011 | 0.015 | 42.008 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 313 | ALA | 0 | 0.027 | 0.028 | 44.816 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 314 | LEU | 0 | 0.007 | -0.008 | 47.839 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 315 | ARG | 1 | 0.812 | 0.892 | 46.001 | 0.387 | 0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 316 | SER | 0 | 0.004 | -0.013 | 46.937 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 317 | VAL | 0 | -0.027 | -0.020 | 49.357 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 318 | GLY | 0 | 0.016 | -0.003 | 52.167 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 319 | ASN | 0 | -0.023 | -0.037 | 47.725 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 320 | ILE | 0 | -0.019 | 0.004 | 52.208 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 321 | VAL | 0 | -0.040 | -0.017 | 54.777 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 322 | THR | 0 | -0.067 | -0.038 | 54.429 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 323 | GLY | 0 | 0.028 | 0.018 | 56.994 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 324 | ASP | -1 | -0.872 | -0.931 | 58.543 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 325 | ASP | -1 | -0.767 | -0.886 | 62.217 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 326 | VAL | 0 | -0.042 | -0.017 | 64.104 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 327 | GLN | 0 | -0.029 | -0.038 | 58.179 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 328 | THR | 0 | 0.051 | 0.021 | 59.816 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 329 | GLN | 0 | -0.009 | -0.013 | 61.243 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 330 | VAL | 0 | -0.028 | -0.006 | 58.668 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 331 | ILE | 0 | 0.034 | 0.026 | 55.419 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 332 | ILE | 0 | -0.016 | -0.009 | 59.303 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 333 | ASN | 0 | -0.012 | -0.006 | 62.576 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 334 | CYS | 0 | -0.101 | -0.040 | 58.107 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 335 | GLY | 0 | 0.010 | 0.009 | 59.604 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 336 | ALA | 0 | 0.026 | 0.005 | 57.651 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 337 | LEU | 0 | 0.011 | 0.018 | 58.691 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 338 | PRO | 0 | 0.047 | 0.019 | 60.871 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 339 | CYS | 0 | -0.018 | 0.004 | 55.777 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 340 | LEU | 0 | 0.026 | 0.002 | 55.413 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 341 | LEU | 0 | -0.003 | 0.002 | 57.566 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 342 | SER | 0 | -0.030 | -0.023 | 56.695 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 343 | LEU | 0 | -0.031 | -0.016 | 51.373 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 344 | LEU | 0 | -0.001 | -0.005 | 54.235 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 345 | SER | 0 | -0.026 | -0.010 | 56.448 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 346 | SER | 0 | 0.003 | 0.016 | 50.029 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 347 | ASN | 0 | 0.026 | 0.005 | 47.202 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 348 | LYS | 1 | 0.927 | 0.963 | 43.282 | 0.480 | 0.480 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 349 | ASP | -1 | -0.785 | -0.890 | 48.193 | -0.366 | -0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 350 | GLY | 0 | -0.030 | -0.011 | 47.115 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 351 | ILE | 0 | 0.017 | 0.014 | 46.638 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 352 | ARG | 1 | 0.841 | 0.913 | 49.802 | 0.352 | 0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 353 | LYS | 1 | 0.889 | 0.957 | 49.019 | 0.335 | 0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 354 | GLU | -1 | -0.800 | -0.884 | 48.267 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 355 | ALA | 0 | 0.017 | 0.031 | 51.725 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 356 | CYS | 0 | -0.027 | -0.014 | 54.662 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 357 | TRP | 0 | -0.017 | 0.012 | 51.289 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 358 | THR | 0 | 0.012 | 0.003 | 53.792 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 359 | ILE | 0 | -0.016 | -0.021 | 56.207 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 360 | SER | 0 | -0.050 | -0.038 | 58.134 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 361 | ASN | 0 | 0.013 | 0.017 | 56.448 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 362 | ILE | 0 | -0.010 | -0.002 | 59.293 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 363 | THR | 0 | -0.088 | -0.071 | 62.305 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 364 | ALA | 0 | -0.007 | 0.004 | 62.760 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 365 | GLY | 0 | 0.042 | 0.051 | 64.733 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 366 | ASN | 0 | -0.040 | -0.041 | 66.178 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 367 | SER | 0 | 0.019 | 0.006 | 69.581 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 368 | ALA | 0 | 0.012 | 0.008 | 71.314 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 369 | GLN | 0 | -0.055 | -0.035 | 65.324 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 370 | ILE | 0 | 0.044 | 0.027 | 67.165 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 371 | GLN | 0 | -0.045 | -0.030 | 68.836 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 372 | SER | 0 | -0.015 | -0.015 | 66.923 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 373 | VAL | 0 | -0.005 | -0.007 | 63.909 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 374 | ILE | 0 | -0.049 | -0.022 | 66.469 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 375 | ASP | -1 | -0.828 | -0.904 | 69.733 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 376 | ALA | 0 | -0.051 | -0.017 | 64.917 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 377 | ASN | 0 | -0.049 | -0.033 | 65.912 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 378 | ILE | 0 | 0.008 | 0.002 | 61.969 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 379 | ILE | 0 | 0.023 | 0.020 | 64.356 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 380 | PRO | 0 | 0.043 | 0.021 | 66.434 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 381 | PRO | 0 | -0.012 | -0.009 | 61.971 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 382 | LEU | 0 | 0.036 | 0.019 | 60.545 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 383 | ILE | 0 | 0.017 | 0.011 | 63.093 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 384 | HIS | 0 | -0.009 | 0.000 | 61.063 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 385 | LEU | 0 | -0.029 | -0.034 | 57.490 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 386 | LEU | 0 | 0.033 | 0.027 | 60.019 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 387 | SER | 0 | -0.069 | -0.013 | 62.570 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 388 | HIS | 0 | -0.066 | -0.035 | 59.924 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 389 | ALA | 0 | -0.006 | -0.008 | 55.428 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 390 | ASP | -1 | -0.822 | -0.903 | 51.896 | -0.303 | -0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 391 | LEU | 0 | 0.042 | 0.011 | 54.104 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 392 | LYS | 1 | 0.921 | 0.963 | 47.425 | 0.354 | 0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 393 | THR | 0 | 0.024 | -0.020 | 53.354 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 394 | ARG | 1 | 0.908 | 0.965 | 55.309 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 395 | LYS | 1 | 0.841 | 0.911 | 54.386 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 396 | GLU | -1 | -0.843 | -0.929 | 53.499 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 397 | ALA | 0 | 0.006 | 0.003 | 57.731 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 398 | CYS | 0 | -0.029 | -0.005 | 60.682 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 399 | TRP | 0 | 0.026 | 0.010 | 58.288 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 400 | ALA | 0 | 0.000 | 0.002 | 60.927 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 401 | ILE | 0 | -0.037 | -0.006 | 62.851 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 402 | SER | 0 | -0.013 | -0.018 | 65.645 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 403 | ASN | 0 | 0.009 | 0.006 | 62.301 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 404 | ALA | 0 | 0.030 | 0.017 | 66.640 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 405 | THR | 0 | -0.065 | -0.045 | 68.845 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 406 | SER | 0 | 0.012 | 0.001 | 69.564 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 407 | GLY | 0 | 0.024 | 0.013 | 72.008 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 408 | GLY | 0 | 0.000 | -0.007 | 74.407 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 409 | LEU | 0 | -0.030 | -0.019 | 77.199 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 410 | GLN | 0 | -0.022 | -0.003 | 75.540 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 411 | LYS | 1 | 0.883 | 0.923 | 76.343 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 412 | PRO | 0 | 0.077 | 0.048 | 77.557 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 413 | ASP | -1 | -0.833 | -0.903 | 78.626 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 414 | GLN | 0 | -0.069 | -0.038 | 73.155 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 415 | ILE | 0 | 0.037 | 0.021 | 74.371 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 416 | ARG | 1 | 0.789 | 0.860 | 75.751 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 417 | TYR | 0 | 0.001 | -0.002 | 70.964 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 418 | LEU | 0 | 0.015 | -0.006 | 69.724 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 419 | VAL | 0 | 0.018 | -0.005 | 72.920 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 420 | ALA | 0 | -0.050 | -0.012 | 75.539 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 421 | GLN | 0 | -0.070 | -0.028 | 71.088 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 422 | GLY | 0 | 0.021 | 0.015 | 71.339 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 423 | CYS | 0 | -0.057 | -0.025 | 69.871 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 424 | ILE | 0 | 0.065 | 0.026 | 70.238 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 425 | LYS | 1 | 1.007 | 1.009 | 71.301 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 426 | PRO | 0 | 0.029 | 0.020 | 66.119 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 427 | LEU | 0 | -0.006 | -0.004 | 66.582 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 428 | CYS | 0 | -0.001 | -0.003 | 68.334 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 429 | ASP | -1 | -0.902 | -0.950 | 66.770 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 430 | LEU | 0 | -0.074 | -0.040 | 61.809 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 431 | LEU | 0 | 0.006 | 0.010 | 64.876 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 432 | ALA | 0 | 0.020 | 0.022 | 65.918 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 433 | CYS | 0 | -0.101 | -0.025 | 60.251 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 434 | PRO | 0 | 0.022 | -0.001 | 58.144 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 435 | ASP | -1 | -0.862 | -0.927 | 56.950 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 436 | ASN | 0 | 0.111 | 0.039 | 59.412 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 437 | LYS | 1 | 0.918 | 0.979 | 59.568 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 438 | ILE | 0 | -0.015 | -0.021 | 58.668 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 439 | ILE | 0 | 0.027 | 0.030 | 62.324 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 440 | GLN | 0 | -0.022 | -0.017 | 64.895 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 441 | VAL | 0 | 0.032 | 0.018 | 62.508 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 442 | ALA | 0 | 0.015 | 0.016 | 65.747 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 443 | LEU | 0 | 0.018 | 0.006 | 67.782 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 444 | ASP | -1 | -0.818 | -0.890 | 68.310 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 445 | GLY | 0 | 0.014 | 0.014 | 69.584 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 446 | LEU | 0 | -0.008 | -0.024 | 70.860 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 447 | GLU | -1 | -0.844 | -0.913 | 73.590 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 448 | ASN | 0 | -0.026 | -0.022 | 72.106 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 449 | ILE | 0 | -0.035 | -0.026 | 73.272 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 450 | LEU | 0 | 0.029 | 0.021 | 76.646 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 451 | LYS | 1 | 0.904 | 0.961 | 76.659 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 452 | VAL | 0 | -0.012 | -0.006 | 78.869 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 453 | GLY | 0 | 0.013 | 0.008 | 80.970 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 454 | GLU | -1 | -0.768 | -0.865 | 82.811 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 455 | LEU | 0 | -0.044 | -0.014 | 83.669 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 456 | ASP | -1 | -0.856 | -0.928 | 84.066 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 457 | LYS | 1 | 0.806 | 0.906 | 86.754 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 458 | ASN | 0 | -0.087 | -0.065 | 88.392 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 459 | ALA | 0 | -0.031 | -0.005 | 89.683 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 460 | ALA | 0 | -0.003 | 0.019 | 91.070 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 461 | GLY | 0 | -0.014 | -0.010 | 92.859 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 462 | ASP | -1 | -0.981 | -0.994 | 95.209 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 463 | GLY | 0 | -0.001 | 0.005 | 94.775 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 464 | PRO | 0 | -0.069 | -0.037 | 94.290 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 465 | ASP | -1 | -0.871 | -0.951 | 91.606 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 466 | SER | 0 | -0.015 | -0.010 | 92.375 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 467 | ILE | 0 | -0.013 | 0.003 | 87.068 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 468 | ASN | 0 | -0.012 | -0.004 | 82.913 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 469 | ARG | 1 | 0.977 | 0.968 | 83.470 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 470 | TYR | 0 | -0.021 | -0.016 | 79.140 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 471 | ALA | 0 | 0.053 | 0.029 | 79.889 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 472 | LEU | 0 | 0.058 | 0.042 | 81.394 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 473 | PHE | 0 | -0.032 | -0.017 | 78.610 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 474 | ILE | 0 | 0.021 | 0.000 | 75.915 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 475 | GLU | -1 | -0.926 | -0.961 | 77.706 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 476 | GLU | -1 | -0.925 | -0.964 | 79.658 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 477 | CYS | 0 | -0.184 | -0.079 | 75.116 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 478 | GLY | 0 | 0.010 | -0.001 | 75.019 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 479 | GLY | 0 | -0.015 | -0.034 | 73.793 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 480 | MET | 0 | 0.016 | 0.019 | 74.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 481 | GLU | -1 | -0.865 | -0.931 | 75.886 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 482 | LYS | 1 | 0.881 | 0.942 | 70.314 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 483 | ILE | 0 | 0.001 | -0.003 | 72.108 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 484 | HIS | 0 | -0.012 | -0.001 | 74.144 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 485 | ASP | -1 | -0.869 | -0.934 | 71.425 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 486 | CYS | 0 | -0.101 | -0.040 | 70.084 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 487 | GLN | 0 | -0.012 | -0.018 | 71.445 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 488 | THR | 0 | -0.078 | -0.056 | 71.280 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 489 | ASN | 0 | -0.033 | -0.035 | 65.402 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 490 | ALA | 0 | -0.017 | -0.009 | 66.963 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 491 | ASN | 0 | -0.039 | 0.006 | 64.507 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 492 | GLU | -1 | -0.925 | -0.978 | 67.149 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 493 | GLU | -1 | -0.936 | -0.974 | 68.422 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 494 | ILE | 0 | -0.028 | -0.011 | 64.972 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 495 | TYR | 0 | -0.009 | 0.008 | 69.628 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 496 | MET | 0 | 0.020 | 0.021 | 72.293 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 497 | LYS | 1 | 0.788 | 0.889 | 71.609 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 498 | ALA | 0 | -0.006 | -0.010 | 72.846 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 499 | TYR | 0 | -0.040 | -0.031 | 74.740 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 500 | ASN | 0 | 0.003 | -0.010 | 77.131 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 501 | ILE | 0 | -0.059 | -0.025 | 74.623 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 502 | ILE | 0 | -0.012 | -0.009 | 78.165 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 503 | GLU | -1 | -0.891 | -0.926 | 80.680 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 504 | LYS | 1 | 0.868 | 0.937 | 82.202 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 505 | TYR | 0 | -0.041 | -0.034 | 79.661 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 506 | PHE | 0 | -0.059 | -0.035 | 79.069 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 507 | SER | -1 | -0.915 | -0.931 | 83.918 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |