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: N954Q
Calculation Name: 2I3O-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 2I3O
Chain ID: A
UniProt ID: Q9HJH4
Base Structure: X-ray
Registration Date: 2023-09-20
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptH |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Structure Preparation |
| Water | No |
| Procedure | Auto-FMO protocol ver. 2.20220422 |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 504 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -10519904.478069 |
|---|---|
| FMO2-HF: Nuclear repulsion | 10323545.114059 |
| FMO2-HF: Total energy | -196359.364009 |
| FMO2-MP2: Total energy | -196928.541879 |
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:1:MET)
Summations of interaction energy for
fragment #1(A:1:MET)
| 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. |
| -11.215 | -9.165 | 6.425 | -3.489 | -4.985 | -0.011 |
Interaction energy analysis for fragmet #1(A:1:MET)
| 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 | 3 | ARG | 1 | 0.833 | 0.915 | 2.532 | -5.392 | -4.828 | 6.178 | -2.753 | -3.990 | -0.002 |
| 4 | A | 4 | SER | 0 | -0.091 | -0.047 | 5.421 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 5 | A | 5 | ARG | 1 | 0.884 | 0.943 | 9.084 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 6 | PRO | 0 | -0.043 | -0.017 | 7.906 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 7 | ASN | 0 | 0.059 | 0.012 | 6.062 | -0.323 | -0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 8 | ALA | 0 | 0.000 | 0.012 | 9.896 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 9 | LEU | 0 | -0.007 | -0.014 | 10.130 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 10 | SER | 0 | -0.027 | -0.026 | 14.235 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 11 | GLN | 0 | -0.011 | 0.001 | 17.797 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 12 | ARG | 1 | 0.947 | 0.993 | 20.122 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 13 | SER | 0 | 0.087 | 0.031 | 20.797 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 14 | VAL | 0 | -0.066 | -0.010 | 15.789 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 15 | ILE | 0 | 0.003 | 0.021 | 19.049 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 16 | ALA | 0 | 0.022 | 0.015 | 16.930 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 17 | SER | 0 | 0.009 | -0.022 | 18.838 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 18 | SER | 0 | 0.022 | -0.011 | 20.089 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 19 | SER | 0 | 0.026 | -0.002 | 21.867 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 20 | GLU | -1 | -0.892 | -0.938 | 20.908 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 21 | LEU | 0 | 0.017 | -0.009 | 22.699 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 22 | ALA | 0 | 0.009 | 0.009 | 25.326 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 23 | SER | 0 | 0.022 | 0.003 | 20.661 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 24 | LEU | 0 | -0.017 | -0.002 | 23.143 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 25 | ALA | 0 | 0.015 | 0.023 | 25.246 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 26 | GLY | 0 | 0.047 | 0.011 | 26.288 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 27 | ARG | 1 | 0.920 | 0.959 | 23.354 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 28 | ASP | -1 | -0.929 | -0.983 | 25.670 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 29 | ILE | 0 | -0.022 | -0.004 | 29.118 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 30 | LEU | 0 | -0.007 | 0.007 | 24.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 31 | LYS | 1 | 0.854 | 0.935 | 28.283 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 32 | ARG | 1 | 0.845 | 0.924 | 29.677 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 33 | GLY | 0 | -0.003 | -0.003 | 31.823 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 34 | GLY | 0 | 0.044 | 0.038 | 32.467 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 35 | ASN | 0 | 0.000 | 0.004 | 30.138 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 36 | ILE | 0 | 0.050 | -0.009 | 25.000 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 37 | PHE | 0 | 0.005 | 0.001 | 27.815 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 38 | ASP | -1 | -0.704 | -0.820 | 30.570 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 39 | ALA | 0 | -0.027 | -0.021 | 27.244 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 40 | ALA | 0 | 0.012 | -0.001 | 27.674 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 41 | LEU | 0 | -0.016 | 0.003 | 28.616 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 42 | ALA | 0 | 0.025 | 0.022 | 30.360 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 43 | VAL | 0 | -0.023 | -0.008 | 25.197 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 44 | SER | 0 | 0.005 | -0.017 | 28.443 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 45 | ALA | 0 | 0.052 | 0.018 | 30.168 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 46 | MET | 0 | 0.013 | 0.005 | 29.554 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 47 | LEU | 0 | -0.024 | 0.002 | 25.468 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 48 | CYS | 0 | -0.080 | -0.023 | 29.564 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 49 | VAL | 0 | -0.039 | -0.011 | 32.446 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 50 | THR | 0 | -0.018 | -0.011 | 28.692 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 51 | GLN | 0 | 0.042 | 0.038 | 24.935 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 52 | ASN | 0 | 0.017 | 0.023 | 29.280 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 53 | ASN | 0 | -0.024 | -0.025 | 27.449 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 54 | LEU | 0 | -0.025 | -0.021 | 25.717 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 55 | CYS | 0 | -0.046 | -0.002 | 29.957 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 56 | GLY | 0 | 0.089 | 0.041 | 32.342 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 57 | LEU | 0 | 0.012 | 0.007 | 35.192 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 58 | GLY | 0 | 0.007 | 0.007 | 38.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 59 | GLY | 0 | 0.031 | 0.014 | 36.032 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 60 | ASP | -1 | -0.763 | -0.870 | 35.293 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 61 | LEU | 0 | -0.049 | -0.030 | 31.102 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 62 | PHE | 0 | -0.005 | 0.007 | 30.597 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 63 | ALA | 0 | 0.002 | -0.011 | 28.799 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 64 | LEU | 0 | -0.005 | 0.041 | 25.997 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 65 | ILE | 0 | -0.046 | -0.030 | 27.601 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 66 | ARG | 1 | 0.847 | 0.915 | 25.404 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 67 | ASP | -1 | -0.804 | -0.897 | 28.313 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 68 | GLU | -1 | -0.833 | -0.950 | 28.725 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 69 | ASN | 0 | -0.067 | -0.022 | 29.814 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 70 | GLY | 0 | 0.004 | 0.007 | 29.166 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 71 | GLN | 0 | -0.121 | -0.052 | 30.185 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 72 | ILE | 0 | 0.028 | 0.006 | 27.660 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 73 | MET | 0 | -0.097 | -0.044 | 31.403 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 74 | ASP | -1 | -0.759 | -0.856 | 31.792 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 75 | LEU | 0 | -0.047 | -0.030 | 32.614 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 76 | ASN | 0 | 0.050 | 0.008 | 33.569 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 77 | GLY | 0 | 0.058 | -0.002 | 35.075 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 78 | SER | 0 | -0.054 | -0.004 | 36.783 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 79 | GLY | 0 | 0.053 | 0.012 | 38.134 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 80 | GLN | 0 | -0.072 | -0.032 | 41.565 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 81 | ALA | 0 | 0.007 | -0.010 | 44.444 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 82 | SER | 0 | 0.016 | -0.004 | 46.575 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 83 | ARG | 1 | 0.849 | 0.910 | 49.423 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 84 | ALA | 0 | -0.001 | 0.005 | 52.901 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 85 | VAL | 0 | -0.008 | 0.024 | 49.011 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 86 | SER | 0 | 0.001 | -0.029 | 52.010 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 87 | ILE | 0 | 0.061 | 0.020 | 50.877 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 88 | ASP | -1 | -0.935 | -0.962 | 53.014 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 89 | TYR | 0 | 0.016 | 0.010 | 51.623 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 90 | TYR | 0 | -0.012 | -0.038 | 48.265 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 91 | GLU | -1 | -0.857 | -0.938 | 53.481 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 92 | SER | 0 | -0.055 | -0.005 | 55.873 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 93 | MET | 0 | -0.094 | -0.046 | 54.328 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 94 | GLY | 0 | -0.031 | -0.008 | 56.101 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 95 | LEU | 0 | -0.085 | -0.039 | 50.210 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 96 | THR | 0 | 0.052 | 0.034 | 50.606 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 97 | LYS | 1 | 0.929 | 0.943 | 41.852 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 98 | ILE | 0 | -0.015 | 0.009 | 44.900 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 99 | PRO | 0 | -0.027 | -0.002 | 44.608 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 100 | GLU | -1 | -0.850 | -0.945 | 39.045 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 101 | ARG | 1 | 0.903 | 0.940 | 35.601 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 102 | GLY | 0 | 0.030 | 0.018 | 42.849 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 103 | PRO | 0 | 0.008 | -0.014 | 45.682 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 104 | TYR | 0 | 0.008 | 0.005 | 48.335 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 105 | ALA | 0 | 0.038 | 0.046 | 42.900 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 106 | ALA | 0 | -0.037 | -0.010 | 43.516 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 107 | ILE | 0 | -0.036 | -0.016 | 44.515 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 108 | THR | 0 | -0.012 | -0.015 | 41.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 109 | VAL | 0 | -0.038 | -0.009 | 43.417 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 110 | PRO | 0 | -0.015 | 0.020 | 40.206 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 111 | GLY | 0 | 0.070 | 0.044 | 39.109 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 112 | ILE | 0 | 0.006 | 0.021 | 33.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 113 | ALA | 0 | 0.081 | 0.063 | 36.898 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 114 | GLY | 0 | -0.013 | -0.018 | 39.394 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 115 | SER | 0 | -0.051 | -0.047 | 35.422 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 116 | TRP | 0 | 0.037 | -0.005 | 32.974 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 117 | ASP | -1 | -0.879 | -0.943 | 36.864 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 118 | GLU | -1 | -0.873 | -0.935 | 37.872 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 119 | ILE | 0 | 0.005 | -0.007 | 32.098 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 120 | PHE | 0 | -0.008 | -0.012 | 35.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 121 | ARG | 1 | 0.830 | 0.908 | 37.868 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 122 | LYS | 1 | 0.829 | 0.926 | 37.432 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 123 | PHE | 0 | -0.003 | -0.011 | 33.514 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 124 | ALA | 0 | -0.037 | 0.005 | 35.011 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 125 | THR | 0 | -0.113 | -0.079 | 35.278 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 126 | MET | 0 | -0.051 | -0.018 | 34.523 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 127 | ASP | -1 | -0.861 | -0.922 | 38.164 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 128 | ILE | 0 | -0.019 | -0.022 | 39.254 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 129 | ALA | 0 | 0.037 | 0.017 | 39.467 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 130 | ASP | -1 | -0.924 | -0.965 | 37.366 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 131 | ILE | 0 | -0.060 | -0.030 | 34.126 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 132 | LEU | 0 | 0.002 | -0.012 | 34.795 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 133 | GLU | -1 | -0.833 | -0.874 | 37.201 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 134 | PRO | 0 | -0.034 | -0.025 | 32.488 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 135 | ALA | 0 | 0.053 | 0.034 | 34.336 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 136 | ILE | 0 | 0.046 | 0.025 | 35.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 137 | ARG | 1 | 0.864 | 0.919 | 34.847 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 138 | THR | 0 | -0.001 | -0.016 | 32.062 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 139 | ALA | 0 | -0.009 | 0.009 | 35.249 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 140 | SER | 0 | -0.080 | -0.046 | 37.667 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 141 | ALA | 0 | -0.034 | -0.020 | 37.164 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 142 | GLY | 0 | -0.015 | -0.009 | 36.549 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 143 | PHE | 0 | -0.033 | -0.018 | 30.133 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 144 | PRO | 0 | -0.015 | -0.001 | 29.913 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 145 | ILE | 0 | -0.025 | 0.002 | 29.669 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 146 | THR | 0 | 0.037 | 0.000 | 24.355 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 147 | GLN | 0 | 0.021 | -0.012 | 24.447 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 148 | ASN | 0 | 0.072 | 0.042 | 21.082 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 149 | TYR | 0 | -0.040 | -0.032 | 25.344 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 150 | SER | 0 | -0.029 | -0.038 | 28.411 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 151 | ASP | -1 | -0.832 | -0.932 | 26.418 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 152 | SER | 0 | -0.085 | -0.030 | 28.146 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 153 | ILE | 0 | -0.012 | 0.002 | 30.460 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 154 | ALA | 0 | 0.023 | 0.003 | 32.545 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 155 | ARG | 1 | 0.932 | 0.961 | 27.056 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 156 | SER | 0 | -0.006 | 0.005 | 33.505 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 157 | ALA | 0 | 0.019 | 0.010 | 35.915 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 158 | PRO | 0 | -0.057 | -0.033 | 37.220 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 159 | VAL | 0 | -0.014 | 0.006 | 37.349 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 160 | ILE | 0 | -0.037 | -0.021 | 37.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 161 | GLY | 0 | 0.056 | 0.028 | 41.472 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 162 | GLN | 0 | -0.025 | -0.004 | 42.433 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 163 | TYR | 0 | -0.033 | -0.011 | 43.490 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 164 | ARG | 1 | 0.993 | 0.991 | 44.911 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 165 | GLY | 0 | -0.007 | -0.005 | 45.932 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 166 | TRP | 0 | 0.054 | 0.039 | 36.453 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 167 | SER | 0 | 0.039 | 0.005 | 41.366 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 168 | SER | 0 | -0.083 | -0.040 | 42.682 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 169 | ILE | 0 | 0.011 | 0.014 | 39.251 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 170 | PHE | 0 | 0.010 | -0.008 | 35.821 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 171 | MET | 0 | -0.037 | -0.016 | 37.958 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 172 | PRO | 0 | 0.004 | 0.020 | 39.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 173 | ASN | 0 | -0.035 | -0.026 | 41.384 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 174 | GLY | 0 | -0.016 | -0.004 | 43.743 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 175 | SER | 0 | -0.050 | -0.025 | 40.207 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 176 | VAL | 0 | -0.008 | -0.015 | 34.333 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 177 | PRO | 0 | -0.001 | 0.020 | 34.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 178 | VAL | 0 | 0.021 | 0.007 | 32.005 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 179 | ALA | 0 | 0.020 | 0.004 | 28.133 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 180 | GLY | 0 | -0.037 | -0.022 | 30.208 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 181 | GLU | -1 | -0.887 | -0.921 | 31.343 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 182 | ILE | 0 | -0.044 | -0.019 | 33.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 183 | LEU | 0 | 0.006 | 0.022 | 33.933 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 184 | LYS | 1 | 0.913 | 0.947 | 36.430 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 185 | GLN | 0 | 0.012 | 0.001 | 35.056 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 186 | PRO | 0 | 0.023 | -0.002 | 40.245 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 187 | ASP | -1 | -0.841 | -0.922 | 43.590 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 188 | LEU | 0 | -0.030 | -0.002 | 36.840 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 189 | ALA | 0 | -0.019 | -0.023 | 40.771 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 190 | GLU | -1 | -0.859 | -0.921 | 41.700 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 191 | SER | 0 | 0.001 | -0.011 | 42.347 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 192 | PHE | 0 | -0.019 | -0.022 | 35.984 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 193 | ARG | 1 | 0.904 | 0.950 | 41.443 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 194 | LEU | 0 | 0.041 | 0.020 | 44.197 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 195 | MET | 0 | -0.041 | -0.003 | 40.258 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 196 | SER | 0 | -0.036 | -0.017 | 42.177 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 197 | GLU | -1 | -0.975 | -0.983 | 43.510 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 198 | GLU | -1 | -0.854 | -0.911 | 47.184 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 199 | GLY | 0 | 0.001 | 0.016 | 44.405 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 200 | PHE | 0 | 0.047 | 0.006 | 37.477 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 201 | ARG | 1 | 0.836 | 0.895 | 42.653 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 202 | SER | 0 | 0.000 | 0.017 | 45.419 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 203 | PHE | 0 | 0.028 | -0.003 | 42.288 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 204 | TYR | 0 | -0.122 | -0.094 | 41.533 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 205 | ASP | -1 | -0.894 | -0.985 | 47.722 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 206 | GLY | 0 | -0.001 | -0.001 | 49.759 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 207 | SER | 0 | 0.013 | -0.025 | 50.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 208 | LEU | 0 | -0.038 | -0.011 | 44.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 209 | ALA | 0 | 0.044 | 0.026 | 48.667 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 210 | ASP | -1 | -0.891 | -0.942 | 49.668 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 211 | ILE | 0 | -0.056 | -0.027 | 49.440 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 212 | ILE | 0 | -0.046 | -0.015 | 45.450 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 213 | ILE | 0 | -0.020 | -0.014 | 49.268 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 214 | ALA | 0 | 0.041 | 0.026 | 52.200 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 215 | GLY | 0 | -0.030 | -0.011 | 50.876 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 216 | LEU | 0 | -0.013 | -0.009 | 47.710 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 217 | GLU | -1 | -0.918 | -0.910 | 51.679 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 218 | GLY | 0 | -0.064 | -0.040 | 55.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 219 | THR | 0 | -0.100 | -0.093 | 50.318 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 220 | GLY | 0 | 0.014 | 0.008 | 52.528 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 221 | SER | 0 | -0.033 | -0.019 | 49.021 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 222 | PRO | 0 | -0.007 | 0.000 | 49.933 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 223 | LEU | 0 | -0.045 | -0.006 | 46.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 224 | SER | 0 | 0.012 | 0.001 | 50.677 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 225 | ASP | -1 | -0.797 | -0.924 | 51.571 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 226 | ARG | 1 | 0.958 | 0.982 | 52.219 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 227 | ASP | -1 | -0.811 | -0.896 | 49.055 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 228 | LEU | 0 | 0.035 | 0.014 | 46.513 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 229 | ARG | 1 | 0.939 | 0.996 | 47.993 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 230 | VAL | 0 | -0.133 | -0.066 | 49.336 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 231 | TYR | 0 | -0.045 | -0.003 | 39.466 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 232 | ARG | 1 | 0.937 | 0.973 | 44.133 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 233 | PRO | 0 | -0.010 | 0.023 | 38.867 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 234 | LEU | 0 | -0.015 | -0.019 | 39.321 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 235 | ILE | 0 | 0.004 | 0.005 | 37.751 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 236 | GLY | 0 | 0.001 | -0.005 | 36.978 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 237 | LYS | 1 | 0.862 | 0.944 | 34.667 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 238 | PRO | 0 | 0.045 | 0.041 | 30.046 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 239 | VAL | 0 | -0.023 | -0.002 | 30.554 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 240 | PHE | 0 | -0.010 | -0.029 | 28.893 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 241 | THR | 0 | -0.022 | -0.018 | 27.031 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 242 | ASP | -1 | -0.812 | -0.863 | 27.304 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 243 | LEU | 0 | 0.020 | 0.011 | 22.060 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 244 | ASP | -1 | -0.781 | -0.854 | 23.339 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 245 | GLU | -1 | -0.845 | -0.913 | 21.559 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 246 | PHE | 0 | 0.001 | -0.014 | 17.811 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 247 | ARG | 1 | 0.823 | 0.900 | 23.442 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 248 | ILE | 0 | -0.035 | -0.015 | 22.252 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 249 | TYR | 0 | -0.060 | -0.088 | 24.634 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 250 | GLU | -1 | -0.789 | -0.899 | 24.606 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 251 | THR | 0 | 0.001 | 0.004 | 27.885 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 252 | SER | 0 | -0.026 | -0.031 | 30.554 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 253 | PRO | 0 | -0.111 | -0.066 | 33.912 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 254 | ASN | 0 | 0.040 | 0.032 | 36.277 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 255 | SER | 0 | -0.019 | -0.034 | 30.893 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 256 | GLN | 0 | 0.030 | -0.008 | 29.108 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 257 | GLY | 0 | 0.104 | 0.039 | 28.394 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 258 | ILE | 0 | 0.006 | 0.001 | 28.525 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 259 | THR | 0 | -0.035 | -0.020 | 28.482 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 260 | VAL | 0 | 0.029 | 0.016 | 23.703 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 261 | ILE | 0 | -0.021 | -0.002 | 26.383 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 262 | GLU | -1 | -0.943 | -0.987 | 28.322 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 263 | TRP | 0 | 0.016 | 0.012 | 23.132 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 264 | ILE | 0 | 0.003 | 0.004 | 23.477 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 265 | ARG | 1 | 0.937 | 0.970 | 26.003 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 266 | GLY | 0 | 0.012 | 0.018 | 29.245 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 267 | MET | 0 | -0.036 | -0.013 | 22.074 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 268 | GLU | -1 | -0.878 | -0.938 | 26.457 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 269 | SER | 0 | -0.128 | -0.069 | 27.751 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 270 | HIS | 1 | 0.792 | 0.885 | 27.810 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 271 | GLY | 0 | -0.035 | -0.009 | 28.209 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 272 | TYR | 0 | -0.082 | -0.047 | 22.485 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 273 | ASP | -1 | -0.768 | -0.887 | 21.927 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 274 | SER | 0 | -0.092 | -0.091 | 19.507 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 275 | ARG | 1 | 0.774 | 0.870 | 17.786 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 276 | THR | 0 | -0.005 | -0.015 | 17.711 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 277 | MET | 0 | -0.016 | -0.005 | 19.165 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 278 | TRP | 0 | -0.016 | 0.002 | 12.595 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 279 | GLU | -1 | -1.007 | -0.997 | 15.356 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 280 | ALA | 0 | 0.009 | 0.010 | 17.079 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 281 | LYS | 1 | 0.826 | 0.917 | 20.206 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 282 | ILE | 0 | 0.029 | 0.004 | 20.600 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 283 | GLU | -1 | -0.813 | -0.933 | 22.678 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 284 | ASP | -1 | -0.792 | -0.873 | 25.117 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 285 | ILE | 0 | -0.016 | 0.002 | 19.872 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 286 | PHE | 0 | 0.014 | -0.025 | 22.626 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 287 | GLU | -1 | -0.894 | -0.928 | 26.561 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 288 | THR | 0 | 0.008 | -0.013 | 26.611 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 289 | MET | 0 | -0.077 | 0.012 | 25.625 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 290 | GLU | -1 | -0.824 | -0.943 | 27.834 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 291 | GLU | -1 | -0.927 | -0.950 | 31.186 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 292 | ALA | 0 | -0.048 | -0.022 | 29.481 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 293 | TYR | 0 | -0.037 | -0.059 | 27.320 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 294 | ASP | -1 | -0.953 | -0.976 | 32.231 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 295 | LYS | 1 | 0.866 | 0.937 | 34.553 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 296 | ARG | 1 | 0.827 | 0.907 | 31.356 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 297 | ARG | 1 | 0.877 | 0.946 | 34.994 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 298 | LYS | 1 | 0.911 | 0.958 | 38.230 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 299 | ILE | 0 | -0.053 | -0.002 | 34.269 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 300 | THR | 0 | 0.010 | -0.022 | 38.400 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 301 | ASP | -1 | -0.799 | -0.893 | 40.169 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 302 | PRO | 0 | 0.084 | 0.029 | 40.036 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 303 | SER | 0 | -0.082 | -0.052 | 42.066 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 304 | TYR | 0 | -0.025 | -0.035 | 44.990 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 305 | MET | 0 | -0.058 | 0.006 | 38.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 306 | ASN | 0 | -0.052 | -0.002 | 44.480 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 319 | GLY | 0 | -0.012 | -0.018 | 43.274 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 320 | LEU | 0 | -0.034 | -0.004 | 39.533 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 321 | PRO | 0 | 0.008 | 0.013 | 40.896 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 322 | LYS | 1 | 0.927 | 0.962 | 34.938 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 323 | ARG | 1 | 0.776 | 0.896 | 32.085 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 324 | ASP | -1 | -0.940 | -0.981 | 34.430 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 325 | HIS | 0 | 0.032 | 0.019 | 32.186 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 326 | ASN | 0 | 0.020 | -0.008 | 26.426 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 327 | ASP | -1 | -0.755 | -0.862 | 27.000 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 328 | ILE | 0 | -0.046 | -0.002 | 28.962 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 329 | GLY | 0 | 0.030 | -0.020 | 30.067 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 330 | ASP | -1 | -0.888 | -0.907 | 27.927 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 331 | THR | 0 | -0.053 | -0.014 | 26.577 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 332 | THR | 0 | 0.022 | 0.011 | 24.946 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 333 | TYR | 0 | 0.015 | -0.010 | 19.847 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 334 | PHE | 0 | -0.024 | -0.019 | 21.611 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 335 | SER | 0 | -0.004 | 0.025 | 19.431 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 336 | ILE | 0 | -0.011 | -0.011 | 20.841 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 337 | SER | 0 | 0.021 | 0.015 | 19.655 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 338 | ASP | -1 | -0.795 | -0.910 | 21.358 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 339 | SER | 0 | -0.015 | -0.019 | 21.536 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 340 | GLU | -1 | -0.903 | -0.927 | 22.493 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 341 | GLY | 0 | 0.033 | 0.024 | 23.710 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 342 | ARG | 1 | 0.740 | 0.859 | 24.721 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 343 | SER | 0 | -0.006 | -0.056 | 22.060 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 344 | VAL | 0 | -0.013 | 0.006 | 24.121 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 345 | SER | 0 | -0.009 | 0.019 | 23.132 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 346 | ILE | 0 | 0.002 | -0.014 | 24.510 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 347 | ILE | 0 | 0.016 | 0.019 | 25.276 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 348 | GLN | 0 | 0.026 | 0.020 | 27.411 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 349 | SER | 0 | 0.013 | -0.025 | 29.498 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 350 | ASN | 0 | -0.001 | -0.006 | 31.970 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 351 | TYR | 0 | -0.102 | -0.046 | 33.265 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 352 | MET | 0 | -0.010 | 0.016 | 32.326 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 353 | GLY | 0 | 0.028 | 0.005 | 31.547 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 354 | PHE | 0 | 0.010 | -0.013 | 32.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 355 | GLY | 0 | -0.012 | 0.017 | 35.226 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 356 | SER | 0 | -0.067 | -0.038 | 37.577 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 357 | GLY | 0 | 0.072 | 0.020 | 40.740 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 358 | ILE | 0 | -0.073 | -0.031 | 41.838 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 359 | VAL | 0 | -0.001 | 0.002 | 42.190 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 360 | PRO | 0 | -0.043 | 0.009 | 44.711 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 361 | LYS | 1 | 0.930 | 0.949 | 47.127 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 362 | GLY | 0 | 0.058 | 0.032 | 48.211 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 363 | THR | 0 | 0.011 | 0.002 | 44.685 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 364 | GLY | 0 | 0.011 | 0.012 | 42.351 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 365 | PHE | 0 | -0.004 | -0.003 | 39.563 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 366 | VAL | 0 | -0.008 | -0.001 | 38.677 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 367 | LEU | 0 | -0.005 | 0.007 | 39.670 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 368 | GLN | 0 | 0.030 | 0.023 | 37.822 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 369 | ASN | 0 | 0.007 | -0.033 | 37.533 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 370 | ARG | 1 | 0.947 | 0.972 | 32.537 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 371 | GLY | 0 | 0.033 | 0.010 | 38.691 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 372 | SER | 0 | -0.021 | -0.010 | 39.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 373 | TYR | 0 | -0.038 | -0.033 | 34.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 374 | PHE | 0 | -0.029 | 0.006 | 39.902 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 375 | THR | 0 | 0.011 | 0.026 | 43.154 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 376 | LEU | 0 | 0.005 | -0.012 | 45.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 377 | GLN | 0 | -0.037 | -0.009 | 47.467 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 378 | ARG | 1 | 0.938 | 0.942 | 48.925 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 379 | ASP | -1 | -0.889 | -0.942 | 50.408 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 380 | HIS | 0 | 0.067 | 0.060 | 41.681 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 381 | PRO | 0 | 0.052 | 0.011 | 43.102 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 382 | ASN | 0 | -0.001 | -0.002 | 40.770 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 383 | ALA | 0 | -0.012 | 0.010 | 43.656 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 384 | LEU | 0 | 0.026 | 0.022 | 46.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 385 | MET | 0 | -0.035 | -0.027 | 47.762 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 386 | PRO | 0 | 0.025 | 0.019 | 49.062 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 387 | GLY | 0 | -0.084 | -0.058 | 48.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 388 | LYS | 1 | 0.777 | 0.918 | 44.779 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 389 | ARG | 1 | 0.888 | 0.941 | 40.279 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 390 | THR | 0 | 0.025 | 0.003 | 39.007 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 391 | PHE | 0 | -0.035 | -0.017 | 33.058 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 392 | HIS | 0 | -0.067 | -0.052 | 34.062 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 393 | THR | 0 | 0.014 | 0.017 | 30.298 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 394 | LEU | 0 | -0.049 | 0.003 | 29.135 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 395 | ALA | 0 | 0.016 | 0.043 | 26.966 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 396 | ALA | 0 | 0.001 | 0.012 | 24.993 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 397 | CYS | 0 | 0.014 | 0.023 | 22.007 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 398 | MET | 0 | -0.054 | -0.020 | 22.044 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 399 | VAL | 0 | 0.012 | 0.004 | 19.433 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 400 | GLU | -1 | -0.739 | -0.824 | 21.323 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 401 | LYS | 1 | 0.925 | 0.963 | 17.234 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 402 | GLU | -1 | -0.943 | -0.982 | 22.198 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 403 | HIS | 0 | -0.049 | -0.026 | 25.301 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 404 | ASP | -1 | -0.874 | -0.909 | 23.200 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 405 | LEU | 0 | -0.070 | -0.031 | 20.455 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 406 | TYR | 0 | -0.031 | -0.029 | 14.385 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 407 | ALA | 0 | 0.000 | -0.035 | 16.327 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 408 | SER | 0 | 0.002 | 0.033 | 18.015 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 409 | LEU | 0 | 0.007 | -0.012 | 16.828 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 410 | GLY | 0 | 0.094 | 0.029 | 19.368 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 411 | SER | 0 | -0.018 | -0.031 | 19.758 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 412 | MET | 0 | -0.016 | 0.025 | 21.632 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 413 | GLY | 0 | 0.074 | 0.029 | 23.264 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 414 | GLY | 0 | -0.008 | -0.009 | 25.863 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 415 | ASP | -1 | -0.791 | -0.900 | 28.631 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 416 | ILE | 0 | 0.010 | 0.021 | 23.028 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 417 | GLN | 0 | -0.045 | -0.024 | 23.914 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 418 | PRO | 0 | 0.026 | 0.006 | 23.190 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 419 | GLN | 0 | 0.037 | -0.015 | 22.903 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 420 | VAL | 0 | -0.012 | 0.004 | 18.155 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 421 | GLN | 0 | -0.066 | -0.060 | 18.345 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 422 | MET | 0 | 0.009 | 0.021 | 18.900 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 423 | GLN | 0 | -0.046 | -0.036 | 16.112 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 424 | ILE | 0 | -0.010 | 0.000 | 14.113 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 425 | LEU | 0 | 0.003 | -0.011 | 14.628 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 426 | MET | 0 | 0.007 | -0.007 | 16.607 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 427 | GLU | -1 | -0.880 | -0.947 | 10.495 | -0.705 | -0.705 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 428 | ILE | 0 | -0.033 | -0.008 | 11.676 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 429 | LEU | 0 | -0.031 | -0.010 | 13.413 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 430 | LYS | 1 | 0.877 | 0.980 | 10.379 | 0.704 | 0.704 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 431 | ASP | -1 | -0.873 | -0.941 | 7.865 | -0.982 | -0.982 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 432 | ASN | 0 | -0.004 | 0.007 | 10.424 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 433 | THR | 0 | -0.079 | -0.067 | 7.730 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 434 | ASP | -1 | -0.775 | -0.869 | 2.834 | -3.919 | -2.544 | 0.247 | -0.720 | -0.901 | -0.009 |
| 423 | A | 435 | PRO | 0 | 0.043 | 0.016 | 6.372 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 436 | GLN | 0 | -0.004 | -0.030 | 7.286 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 437 | ALA | 0 | -0.004 | 0.007 | 4.134 | -0.109 | 0.002 | 0.000 | -0.016 | -0.094 | 0.000 |
| 426 | A | 438 | ILE | 0 | -0.019 | -0.006 | 6.087 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 439 | LEU | 0 | -0.070 | -0.024 | 9.212 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 440 | ASP | -1 | -0.730 | -0.872 | 7.346 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 441 | LYS | 1 | 0.849 | 0.948 | 8.559 | 0.577 | 0.577 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 442 | PRO | 0 | -0.031 | -0.014 | 9.962 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 443 | ARG | 1 | 0.832 | 0.903 | 13.235 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 444 | TRP | 0 | 0.001 | -0.006 | 16.580 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 445 | THR | 0 | 0.019 | 0.013 | 20.125 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 446 | GLU | -1 | -0.821 | -0.934 | 23.428 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 447 | PRO | 0 | -0.025 | 0.008 | 26.673 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 448 | TYR | 0 | 0.037 | 0.003 | 29.179 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 449 | THR | 0 | 0.013 | 0.033 | 32.599 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 450 | ILE | 0 | -0.034 | -0.009 | 35.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 451 | TYR | 0 | -0.073 | -0.061 | 36.906 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 452 | GLU | -1 | -0.837 | -0.915 | 35.606 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 453 | ALA | 0 | -0.020 | -0.011 | 36.753 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 454 | PRO | 0 | 0.040 | 0.020 | 31.837 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 455 | GLY | 0 | 0.014 | 0.001 | 32.083 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 456 | ALA | 0 | -0.102 | -0.051 | 28.949 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 457 | VAL | 0 | 0.040 | 0.027 | 24.695 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 458 | TYR | 0 | -0.016 | -0.017 | 23.412 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 459 | VAL | 0 | 0.010 | -0.006 | 18.858 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 460 | GLU | -1 | -0.657 | -0.802 | 15.774 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 461 | SER | 0 | 0.029 | 0.014 | 13.677 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 462 | GLU | -1 | -0.876 | -0.962 | 15.544 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 463 | GLU | -1 | -1.024 | -1.007 | 12.471 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 464 | LEU | 0 | 0.062 | 0.031 | 15.491 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 465 | TYR | 0 | 0.006 | 0.011 | 17.765 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 466 | ARG | 1 | 0.917 | 0.967 | 15.814 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 467 | ASN | 0 | -0.003 | -0.009 | 17.822 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 468 | VAL | 0 | 0.055 | 0.022 | 20.964 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 469 | SER | 0 | -0.036 | -0.032 | 23.228 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 470 | LYS | 1 | 0.849 | 0.931 | 24.539 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 471 | GLN | 0 | -0.017 | 0.000 | 23.654 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 472 | ILE | 0 | 0.005 | 0.024 | 25.204 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 473 | SER | 0 | -0.015 | -0.001 | 27.926 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 474 | GLY | 0 | -0.015 | -0.014 | 31.407 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 475 | ARG | 1 | 0.852 | 0.930 | 29.264 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 476 | LYS | 1 | 0.885 | 0.960 | 28.265 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 477 | VAL | 0 | 0.086 | 0.045 | 23.500 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 478 | VAL | 0 | -0.096 | -0.057 | 25.137 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 479 | LEU | 0 | 0.016 | 0.020 | 18.258 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 480 | ARG | 1 | 0.790 | 0.901 | 20.514 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 481 | ASP | -1 | -0.869 | -0.927 | 18.376 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 482 | VAL | 0 | -0.038 | -0.023 | 13.556 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 483 | SER | 0 | 0.023 | 0.012 | 16.971 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 484 | GLN | 0 | 0.086 | 0.034 | 19.471 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 485 | GLU | -1 | -0.909 | -0.937 | 21.337 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 486 | PHE | 0 | -0.048 | -0.033 | 18.705 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 487 | GLY | 0 | 0.029 | 0.019 | 19.379 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 488 | THR | 0 | -0.041 | -0.053 | 18.827 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 489 | ALA | 0 | -0.049 | -0.013 | 16.633 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 490 | GLN | 0 | -0.006 | -0.013 | 16.381 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 491 | ILE | 0 | -0.008 | -0.007 | 13.263 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 492 | THR | 0 | -0.036 | -0.009 | 15.241 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 493 | THR | 0 | -0.024 | -0.020 | 12.402 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 494 | LEU | 0 | 0.046 | 0.034 | 15.487 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 495 | ILE | 0 | -0.017 | 0.002 | 11.625 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 496 | ARG | 1 | 0.934 | 0.944 | 12.915 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 497 | GLY | 0 | -0.021 | -0.026 | 16.612 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 498 | ASP | -1 | -0.867 | -0.904 | 19.118 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 499 | VAL | 0 | -0.081 | -0.041 | 14.723 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 500 | VAL | 0 | 0.005 | 0.013 | 16.072 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 501 | VAL | 0 | -0.028 | -0.025 | 10.101 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 502 | GLY | 0 | 0.009 | -0.004 | 13.261 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 503 | ALA | 0 | -0.015 | 0.001 | 10.864 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 504 | ALA | 0 | -0.004 | -0.018 | 12.879 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 505 | ASP | -1 | -0.705 | -0.819 | 13.788 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 506 | PRO | 0 | -0.055 | -0.024 | 11.650 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 507 | ARG | 1 | 0.699 | 0.828 | 13.208 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 508 | GLY | 0 | -0.002 | -0.006 | 17.374 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 509 | ASP | -1 | -0.872 | -0.918 | 18.536 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 510 | GLY | 0 | 0.006 | 0.005 | 19.101 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 511 | ILE | 0 | 0.008 | 0.004 | 16.417 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 512 | ALA | 0 | -0.021 | 0.006 | 14.711 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 513 | ILE | 0 | -0.006 | -0.014 | 16.689 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 514 | PRO | 0 | -0.002 | 0.010 | 17.035 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 515 | TYR | 0 | 0.003 | -0.015 | 19.006 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 516 | SER | 0 | 0.030 | 0.027 | 21.764 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |