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: ZV2MN
Calculation Name: 4UW2-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 4UW2
Chain ID: A
UniProt ID: B6YWB8
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 | OptAll |
| 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 | 710 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -17915854.10392 |
|---|---|
| FMO2-HF: Nuclear repulsion | 17636234.012486 |
| FMO2-HF: Total energy | -279620.091434 |
| FMO2-MP2: Total energy | -280448.057758 |
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:ALA)
Summations of interaction energy for
fragment #1(A:-1:ALA)
| 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. |
| -4.192 | -2.536 | -0.018 | -0.78 | -0.858 | 0 |
Interaction energy analysis for fragmet #1(A:-1:ALA)
| 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 | 1 | MET | 0 | 0.025 | 0.012 | 3.870 | 1.238 | 2.685 | -0.017 | -0.728 | -0.701 | 0.000 |
| 4 | A | 2 | GLU | -1 | -0.920 | -0.929 | 4.115 | -3.222 | -3.013 | -0.001 | -0.052 | -0.157 | 0.000 |
| 5 | A | 3 | ILE | 0 | 0.061 | 0.023 | 7.425 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 4 | ASP | -1 | -0.823 | -0.893 | 10.909 | -0.492 | -0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 5 | GLU | -1 | -0.729 | -0.853 | 7.695 | -0.918 | -0.918 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 6 | LEU | 0 | -0.001 | -0.003 | 10.263 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 7 | THR | 0 | 0.002 | -0.010 | 11.621 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 8 | ALA | 0 | -0.020 | 0.008 | 13.308 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 9 | LEU | 0 | 0.013 | 0.007 | 10.038 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 10 | GLY | 0 | 0.051 | 0.013 | 14.023 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 11 | GLY | 0 | 0.012 | -0.003 | 16.320 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 12 | LEU | 0 | -0.074 | -0.026 | 15.579 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 13 | LEU | 0 | 0.015 | -0.013 | 14.634 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 14 | HIS | 0 | -0.017 | -0.014 | 18.869 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 15 | ASP | -1 | -0.720 | -0.849 | 21.608 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 16 | ILE | 0 | -0.054 | -0.019 | 19.603 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 17 | GLY | 0 | 0.074 | 0.023 | 22.541 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 18 | LYS | 1 | 0.751 | 0.867 | 25.139 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 19 | PRO | 0 | -0.040 | -0.018 | 25.004 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 20 | VAL | 0 | -0.002 | -0.007 | 24.061 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 21 | GLN | 0 | -0.019 | -0.001 | 27.241 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 22 | ARG | 1 | 0.789 | 0.897 | 30.095 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 23 | ALA | 0 | 0.000 | 0.009 | 29.431 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 24 | GLY | 0 | -0.059 | -0.054 | 30.784 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 25 | LEU | 0 | -0.011 | 0.010 | 24.852 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 26 | TYR | 0 | -0.052 | -0.061 | 23.192 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 27 | SER | 0 | -0.033 | -0.015 | 29.743 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 28 | GLY | 0 | 0.042 | 0.023 | 30.467 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 29 | ASP | -1 | -0.807 | -0.882 | 29.887 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 30 | HIS | 0 | 0.005 | -0.022 | 26.497 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 31 | SER | 0 | 0.045 | 0.033 | 25.808 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 32 | THR | 0 | -0.033 | -0.033 | 24.969 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 33 | GLN | 0 | -0.060 | -0.049 | 25.350 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 34 | GLY | 0 | 0.054 | 0.018 | 23.002 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 35 | ALA | 0 | 0.007 | 0.017 | 20.541 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 36 | ARG | 1 | 0.902 | 0.953 | 20.361 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 37 | PHE | 0 | 0.007 | 0.005 | 19.427 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 38 | LEU | 0 | -0.018 | -0.004 | 15.857 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 39 | ARG | 1 | 0.881 | 0.915 | 16.152 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 40 | ASP | -1 | -0.817 | -0.879 | 17.314 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 41 | LEU | 0 | -0.026 | -0.026 | 15.097 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 42 | ALA | 0 | -0.088 | -0.020 | 12.981 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 43 | GLU | -1 | -0.897 | -0.939 | 13.294 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 44 | ASN | 0 | -0.086 | -0.032 | 15.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 45 | THR | 0 | -0.035 | -0.027 | 13.806 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 46 | GLY | 0 | 0.001 | 0.001 | 9.925 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 47 | ARG | 1 | 0.801 | 0.888 | 5.142 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 48 | ALA | 0 | 0.110 | 0.061 | 9.495 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 49 | GLU | -1 | -0.885 | -0.946 | 5.667 | -0.484 | -0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 50 | TYR | 0 | -0.001 | -0.020 | 9.266 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 51 | GLU | -1 | -0.862 | -0.934 | 12.531 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 52 | LEU | 0 | -0.004 | 0.022 | 11.844 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 53 | LEU | 0 | 0.008 | -0.008 | 10.867 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 54 | SER | 0 | -0.051 | -0.034 | 14.469 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 55 | LEU | 0 | 0.029 | 0.014 | 16.759 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 56 | PHE | 0 | -0.007 | -0.001 | 14.446 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 57 | SER | 0 | -0.042 | -0.018 | 19.718 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 58 | GLU | -1 | -0.808 | -0.861 | 21.789 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 59 | PHE | 0 | 0.000 | 0.014 | 23.106 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 67 | ASN | 0 | -0.006 | -0.035 | 28.966 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 68 | ASP | -1 | -0.819 | -0.916 | 28.759 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 69 | GLU | -1 | -0.868 | -0.926 | 28.408 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 70 | LEU | 0 | 0.034 | 0.013 | 28.191 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 71 | MET | 0 | 0.007 | 0.021 | 24.014 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 72 | ILE | 0 | -0.029 | -0.015 | 23.684 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 73 | ARG | 1 | 0.776 | 0.885 | 24.583 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 74 | ARG | 1 | 0.819 | 0.878 | 19.990 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 75 | ILE | 0 | -0.011 | -0.005 | 18.074 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 76 | LYS | 1 | 0.840 | 0.901 | 18.701 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 77 | GLU | -1 | -0.915 | -0.936 | 19.858 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 78 | LEU | 0 | -0.039 | -0.003 | 15.060 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 79 | SER | 0 | -0.048 | -0.034 | 11.792 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 80 | PRO | 0 | -0.024 | 0.012 | 12.257 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 81 | GLU | -1 | -0.816 | -0.917 | 11.808 | 0.431 | 0.431 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 82 | ARG | 1 | 0.876 | 0.945 | 5.830 | -2.163 | -2.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 83 | PHE | 0 | 0.006 | -0.011 | 6.359 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 84 | GLY | 0 | 0.027 | 0.001 | 6.586 | 0.820 | 0.820 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 85 | LEU | 0 | -0.017 | 0.016 | 9.236 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 86 | THR | 0 | 0.048 | -0.001 | 11.932 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 87 | MET | 0 | -0.008 | 0.022 | 14.966 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 88 | GLU | -1 | -0.911 | -0.971 | 16.900 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 89 | ASP | -1 | -0.856 | -0.934 | 13.355 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 90 | VAL | 0 | -0.031 | -0.013 | 14.244 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 91 | LEU | 0 | 0.021 | 0.008 | 16.446 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 92 | ASN | 0 | 0.001 | -0.018 | 18.511 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 93 | ALA | 0 | 0.037 | 0.015 | 16.216 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 94 | LEU | 0 | -0.030 | -0.012 | 18.318 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 95 | TRP | 0 | -0.027 | -0.011 | 20.801 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 96 | ILE | 0 | 0.003 | 0.004 | 19.701 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 97 | VAL | 0 | -0.012 | -0.009 | 19.044 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 98 | TYR | 0 | -0.014 | 0.001 | 22.143 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 99 | GLU | -1 | -0.923 | -0.967 | 25.726 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 100 | ALA | 0 | -0.016 | -0.017 | 23.543 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 101 | ASP | -1 | -0.825 | -0.897 | 25.519 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 102 | ASN | 0 | -0.076 | -0.040 | 27.206 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 103 | LEU | 0 | -0.074 | -0.037 | 27.680 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 104 | ALA | 0 | 0.028 | 0.032 | 26.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 105 | SER | 0 | -0.026 | -0.029 | 29.001 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 106 | GLY | 0 | 0.084 | 0.064 | 32.466 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 107 | GLU | -1 | -0.914 | -0.916 | 34.548 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 108 | ARG | 1 | 0.799 | 0.857 | 37.049 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 109 | GLU | -1 | -0.739 | -0.808 | 35.597 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 110 | GLU | -1 | -0.936 | -0.969 | 38.477 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 111 | GLY | 0 | 0.009 | -0.009 | 40.791 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 112 | GLN | 0 | -0.022 | 0.001 | 41.037 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 113 | PRO | 0 | -0.001 | -0.002 | 37.344 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 114 | GLN | 0 | 0.050 | 0.054 | 39.322 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 115 | ALA | 0 | 0.031 | 0.021 | 35.745 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 116 | SER | 0 | -0.014 | -0.016 | 36.010 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 117 | ARG | 1 | 0.789 | 0.890 | 37.621 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 118 | PRO | 0 | 0.040 | 0.015 | 36.664 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 119 | LEU | 0 | -0.046 | 0.002 | 32.797 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 120 | TYR | 0 | 0.040 | 0.012 | 36.329 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 121 | SER | 0 | -0.012 | -0.016 | 37.766 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 122 | VAL | 0 | 0.008 | 0.001 | 35.999 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 123 | PHE | 0 | -0.010 | 0.010 | 37.461 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 124 | ASN | 0 | -0.080 | -0.059 | 41.608 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 125 | PRO | 0 | 0.080 | 0.032 | 41.898 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 126 | GLY | 0 | -0.009 | 0.017 | 43.243 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 127 | LYS | 1 | 0.807 | 0.910 | 44.422 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 128 | ALA | 0 | 0.022 | 0.006 | 40.142 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 129 | TYR | 0 | 0.002 | 0.017 | 36.908 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 130 | PRO | 0 | -0.007 | 0.005 | 38.494 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 131 | TRP | 0 | -0.013 | -0.025 | 31.271 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 132 | ALA | 0 | 0.036 | 0.031 | 35.423 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 133 | GLU | -1 | -0.945 | -0.972 | 30.431 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 134 | LEU | 0 | -0.055 | -0.029 | 27.272 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 135 | ASP | -1 | -0.786 | -0.874 | 29.608 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 136 | PHE | 0 | -0.006 | -0.016 | 28.644 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 137 | GLU | -1 | -0.807 | -0.910 | 33.885 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 138 | LYS | 1 | 0.772 | 0.861 | 34.104 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 139 | GLU | -1 | -0.846 | -0.912 | 35.661 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 140 | LEU | 0 | -0.061 | -0.029 | 37.668 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 141 | PRO | 0 | -0.001 | 0.011 | 35.657 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 142 | VAL | 0 | 0.023 | 0.002 | 38.571 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 143 | PRO | 0 | -0.056 | -0.021 | 41.032 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 144 | GLY | 0 | 0.019 | 0.010 | 42.636 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 145 | ASP | -1 | -0.873 | -0.948 | 44.766 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 146 | VAL | 0 | 0.011 | 0.009 | 42.704 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 147 | PHE | 0 | -0.012 | -0.005 | 43.022 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 148 | SER | 0 | -0.027 | -0.032 | 41.078 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 149 | ILE | 0 | -0.023 | 0.012 | 34.806 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 150 | ARG | 1 | 0.835 | 0.878 | 37.977 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 151 | SER | 0 | 0.062 | 0.026 | 34.842 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 152 | GLN | 0 | -0.048 | -0.038 | 33.692 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 153 | ASP | -1 | -0.753 | -0.836 | 33.591 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 154 | TYR | 0 | 0.090 | 0.039 | 29.986 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 155 | ARG | 1 | 0.885 | 0.951 | 29.278 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 156 | GLU | -1 | -0.800 | -0.882 | 28.707 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 157 | LEU | 0 | -0.036 | -0.007 | 26.858 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 158 | VAL | 0 | 0.007 | -0.012 | 24.214 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 159 | LYS | 1 | 0.818 | 0.923 | 24.018 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 160 | ARG | 1 | 0.833 | 0.914 | 24.020 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 161 | LEU | 0 | 0.000 | -0.007 | 20.951 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 162 | TRP | 0 | -0.003 | -0.007 | 19.681 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 163 | GLU | -1 | -0.823 | -0.897 | 18.366 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 164 | GLU | -1 | -0.782 | -0.859 | 17.895 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 165 | LEU | 0 | -0.004 | -0.012 | 15.612 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 166 | SER | 0 | -0.003 | 0.008 | 13.827 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 167 | LYS | 1 | 0.820 | 0.914 | 13.392 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 168 | ALA | 0 | -0.051 | -0.018 | 13.344 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 169 | LYS | 1 | 0.906 | 0.939 | 7.973 | 0.367 | 0.367 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 170 | LEU | 0 | 0.054 | 0.033 | 6.819 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 171 | ARG | 1 | 0.837 | 0.900 | 6.867 | 0.615 | 0.615 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 172 | SER | 0 | 0.040 | -0.022 | 9.350 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 173 | ASP | -1 | -0.801 | -0.858 | 11.325 | -0.611 | -0.611 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 174 | ARG | 1 | 0.677 | 0.781 | 11.162 | 0.531 | 0.531 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 175 | LEU | 0 | 0.052 | 0.030 | 12.425 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 176 | LEU | 0 | 0.004 | 0.010 | 15.186 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 177 | PRO | 0 | -0.033 | -0.014 | 16.574 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 178 | VAL | 0 | 0.027 | 0.016 | 16.959 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 179 | LEU | 0 | 0.025 | 0.001 | 18.037 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 180 | GLU | -1 | -0.763 | -0.833 | 21.251 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 181 | LYS | 1 | 0.832 | 0.928 | 22.815 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 182 | TYR | 0 | -0.035 | -0.050 | 22.147 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 183 | LEU | 0 | -0.002 | -0.004 | 22.913 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 184 | THR | 0 | 0.012 | 0.004 | 26.425 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 185 | PHE | 0 | 0.000 | 0.004 | 28.738 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 186 | VAL | 0 | 0.001 | 0.000 | 29.310 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 187 | SER | 0 | -0.008 | -0.004 | 31.184 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 188 | SER | 0 | 0.078 | 0.022 | 29.961 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 189 | VAL | 0 | 0.009 | -0.001 | 30.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 190 | THR | 0 | -0.029 | -0.007 | 33.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 191 | SER | 0 | 0.000 | -0.047 | 36.670 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 192 | GLU | -1 | -0.891 | -0.953 | 39.658 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 193 | GLY | 0 | 0.009 | 0.007 | 40.925 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 194 | ASN | 0 | -0.038 | -0.004 | 33.859 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 195 | ILE | 0 | 0.000 | -0.003 | 36.472 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 196 | ILE | 0 | -0.029 | 0.000 | 30.578 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 197 | SER | 0 | 0.000 | -0.009 | 29.243 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 198 | LEU | 0 | 0.007 | -0.008 | 26.158 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 199 | TYR | 0 | -0.002 | -0.016 | 20.887 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 200 | ASP | -1 | -0.732 | -0.852 | 24.288 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 201 | HIS | 0 | -0.003 | -0.001 | 26.070 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 202 | MET | 0 | 0.000 | 0.010 | 21.616 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 203 | ARG | 1 | 0.817 | 0.903 | 20.985 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 204 | MET | 0 | -0.055 | -0.022 | 21.397 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 205 | THR | 0 | 0.036 | 0.023 | 22.121 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 206 | SER | 0 | -0.070 | -0.038 | 16.870 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 207 | ALA | 0 | -0.005 | 0.003 | 19.088 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 208 | ILE | 0 | -0.012 | -0.012 | 20.782 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 209 | ALA | 0 | 0.048 | 0.028 | 19.554 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 210 | LEU | 0 | -0.004 | 0.004 | 15.099 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 211 | ALA | 0 | -0.022 | -0.013 | 18.389 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 212 | MET | 0 | 0.005 | -0.004 | 21.574 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 213 | LEU | 0 | 0.014 | 0.019 | 15.359 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 214 | ARG | 1 | 0.777 | 0.871 | 13.862 | 0.401 | 0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 215 | ALA | 0 | -0.032 | -0.017 | 19.957 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 216 | GLY | 0 | 0.027 | 0.021 | 21.779 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 217 | CYS | 0 | -0.124 | -0.061 | 22.831 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 218 | THR | 0 | 0.017 | 0.001 | 21.268 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 219 | ALA | 0 | -0.005 | 0.011 | 22.748 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 220 | GLU | -1 | -0.883 | -0.905 | 24.706 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 228 | ARG | 1 | 0.940 | 0.930 | 30.611 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 229 | LYS | 1 | 0.902 | 0.964 | 31.871 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 230 | GLU | -1 | -0.807 | -0.882 | 31.143 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 231 | LYS | 1 | 0.857 | 0.934 | 32.628 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 232 | ARG | 1 | 0.838 | 0.878 | 26.104 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 233 | PHE | 0 | 0.050 | 0.044 | 25.149 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 234 | LEU | 0 | -0.048 | -0.025 | 27.476 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 235 | LEU | 0 | -0.002 | 0.013 | 28.174 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 236 | ILE | 0 | 0.007 | -0.005 | 27.159 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 237 | GLU | -1 | -0.730 | -0.837 | 29.953 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 238 | GLY | 0 | 0.002 | 0.000 | 31.786 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 239 | ASP | -1 | -0.796 | -0.908 | 32.623 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 240 | PHE | 0 | 0.055 | 0.036 | 32.724 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 241 | SER | 0 | -0.035 | -0.025 | 37.624 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 242 | GLY | 0 | 0.045 | 0.032 | 41.459 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 243 | ILE | 0 | 0.014 | 0.010 | 37.764 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 244 | GLN | 0 | -0.018 | -0.033 | 40.948 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 245 | ASP | -1 | -0.893 | -0.964 | 44.072 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 246 | PHE | 0 | 0.061 | 0.037 | 37.994 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 247 | ILE | 0 | -0.008 | 0.006 | 39.122 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 248 | TYR | 0 | -0.049 | -0.046 | 42.761 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 249 | ARG | 1 | 0.824 | 0.878 | 46.511 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 250 | VAL | 0 | 0.048 | 0.039 | 44.429 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 251 | SER | 0 | -0.057 | -0.024 | 47.875 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 252 | GLY | 0 | 0.057 | 0.034 | 49.305 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 253 | LYS | 1 | 0.842 | 0.939 | 48.658 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 254 | GLY | 0 | 0.072 | 0.047 | 46.970 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 255 | THR | 0 | -0.027 | -0.051 | 47.860 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 256 | LEU | 0 | 0.036 | 0.020 | 44.867 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 257 | LYS | 1 | 0.911 | 0.959 | 42.850 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 258 | TYR | 0 | 0.029 | 0.019 | 41.520 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 259 | LEU | 0 | -0.024 | -0.004 | 41.700 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 260 | ARG | 1 | 0.848 | 0.911 | 36.897 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 261 | ALA | 0 | -0.031 | -0.010 | 37.508 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 262 | ARG | 1 | 0.920 | 0.972 | 36.917 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 263 | SER | 0 | -0.012 | -0.018 | 36.983 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 264 | ALA | 0 | 0.000 | -0.013 | 33.631 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 265 | TYR | 0 | -0.047 | -0.030 | 32.070 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 266 | LEU | 0 | 0.027 | 0.010 | 32.342 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 267 | GLU | -1 | -0.845 | -0.909 | 30.154 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 268 | LEU | 0 | -0.010 | 0.007 | 27.314 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 269 | ILE | 0 | -0.003 | 0.007 | 27.805 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 270 | GLY | 0 | 0.013 | 0.004 | 29.001 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 271 | TRP | 0 | 0.026 | -0.005 | 22.697 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 272 | ASP | -1 | -0.706 | -0.850 | 24.316 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 273 | VAL | 0 | -0.022 | -0.007 | 24.753 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 274 | VAL | 0 | -0.016 | -0.006 | 22.810 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 275 | LEU | 0 | 0.019 | 0.000 | 19.115 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 276 | GLU | -1 | -0.765 | -0.831 | 20.115 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 277 | ILE | 0 | -0.041 | -0.025 | 21.515 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 278 | LEU | 0 | -0.072 | -0.038 | 18.070 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 279 | SER | 0 | 0.013 | -0.004 | 16.722 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 280 | ARG | 1 | 0.738 | 0.853 | 17.141 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 281 | LEU | 0 | -0.034 | -0.006 | 18.986 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 282 | GLY | 0 | 0.055 | 0.036 | 15.629 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 283 | LEU | 0 | -0.071 | -0.021 | 15.717 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 284 | THR | 0 | 0.069 | 0.018 | 13.949 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 285 | ARG | 1 | 0.875 | 0.906 | 16.751 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 286 | ALA | 0 | 0.014 | 0.014 | 18.148 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 287 | ASN | 0 | -0.005 | -0.014 | 19.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 288 | VAL | 0 | -0.011 | 0.011 | 21.733 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 289 | VAL | 0 | 0.003 | 0.008 | 23.963 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 290 | PHE | 0 | -0.011 | -0.014 | 27.039 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 291 | ASN | 0 | -0.013 | -0.028 | 25.681 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 292 | ALA | 0 | 0.030 | 0.024 | 28.476 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 293 | GLY | 0 | -0.010 | -0.009 | 31.430 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 294 | GLY | 0 | 0.040 | 0.017 | 32.597 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 295 | HIS | 0 | -0.084 | -0.050 | 33.128 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 296 | PHE | 0 | 0.050 | 0.017 | 28.198 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 297 | MET | 0 | -0.060 | -0.025 | 28.860 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 298 | ILE | 0 | -0.004 | 0.002 | 23.456 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 299 | ILE | 0 | 0.000 | 0.008 | 24.856 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 300 | ALA | 0 | 0.039 | 0.019 | 23.474 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 301 | GLN | 0 | 0.104 | 0.056 | 21.270 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 302 | ASN | 0 | -0.112 | -0.053 | 24.931 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 303 | THR | 0 | 0.042 | -0.008 | 23.978 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 304 | PRO | 0 | 0.000 | -0.022 | 26.874 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 305 | ASP | -1 | -0.804 | -0.878 | 22.243 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 306 | ALA | 0 | 0.023 | 0.023 | 24.184 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 307 | VAL | 0 | -0.035 | -0.023 | 25.270 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 308 | LYS | 1 | 0.878 | 0.934 | 28.013 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 309 | GLU | -1 | -0.775 | -0.883 | 23.045 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 310 | LEU | 0 | -0.003 | -0.004 | 26.174 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 311 | GLU | -1 | -0.959 | -0.980 | 28.232 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 312 | GLU | -1 | -0.843 | -0.914 | 28.002 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 313 | ILE | 0 | 0.008 | 0.011 | 24.159 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 314 | ARG | 1 | 0.842 | 0.912 | 28.704 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 315 | ALA | 0 | -0.026 | -0.010 | 32.017 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 316 | LYS | 1 | 0.822 | 0.904 | 30.194 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 317 | ALA | 0 | 0.015 | 0.004 | 30.682 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 318 | VAL | 0 | -0.049 | -0.022 | 32.434 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 319 | GLU | -1 | -0.837 | -0.923 | 34.900 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 320 | TRP | 0 | -0.072 | -0.020 | 33.238 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 321 | LEU | 0 | 0.032 | 0.011 | 34.949 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 322 | TYR | 0 | -0.019 | -0.026 | 37.441 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 323 | ARG | 1 | 0.823 | 0.894 | 35.284 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 324 | GLU | -1 | -0.870 | -0.901 | 35.537 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 325 | PHE | 0 | -0.037 | -0.031 | 35.772 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 326 | GLU | -1 | -0.824 | -0.859 | 41.273 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 327 | SER | 0 | -0.069 | -0.031 | 43.764 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 328 | ASP | -1 | -0.953 | -0.972 | 42.895 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 329 | LEU | 0 | -0.097 | -0.061 | 37.391 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 330 | TYR | 0 | -0.039 | -0.039 | 39.498 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 331 | LEU | 0 | -0.014 | -0.012 | 32.148 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 332 | ALA | 0 | -0.012 | 0.012 | 36.727 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 333 | ILE | 0 | 0.052 | 0.005 | 30.255 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 334 | GLU | -1 | -0.842 | -0.899 | 33.753 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 335 | TRP | 0 | 0.069 | 0.025 | 31.226 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 336 | GLU | -1 | -0.816 | -0.879 | 32.979 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 337 | PRO | 0 | -0.051 | -0.014 | 32.325 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 338 | VAL | 0 | -0.013 | -0.005 | 31.308 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 339 | SER | 0 | -0.032 | -0.034 | 32.031 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 340 | GLY | 0 | 0.058 | 0.023 | 30.970 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 341 | ARG | 1 | 0.891 | 0.941 | 31.731 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 342 | GLU | -1 | -0.862 | -0.918 | 34.857 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 343 | PHE | 0 | 0.007 | -0.010 | 29.798 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 344 | GLY | 0 | 0.081 | 0.033 | 33.993 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 345 | ARG | 1 | 0.789 | 0.898 | 36.832 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 346 | GLU | -1 | -0.861 | -0.929 | 40.294 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 347 | GLY | 0 | -0.002 | 0.000 | 42.836 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 348 | GLY | 0 | -0.005 | 0.002 | 45.475 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 349 | LYS | 1 | 0.788 | 0.881 | 44.363 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 350 | ASN | 0 | 0.012 | -0.010 | 39.939 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 351 | LEU | 0 | 0.047 | 0.020 | 38.702 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 352 | PHE | 0 | 0.078 | 0.059 | 32.450 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 353 | ALA | 0 | 0.033 | 0.014 | 37.187 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 354 | GLU | -1 | -0.825 | -0.904 | 39.595 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 355 | ALA | 0 | 0.013 | 0.010 | 36.448 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 356 | ARG | 1 | 0.828 | 0.902 | 34.225 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 357 | LYS | 1 | 0.833 | 0.911 | 37.601 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 358 | ARG | 1 | 0.771 | 0.859 | 37.634 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 359 | LEU | 0 | -0.034 | -0.005 | 33.164 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 360 | LYS | 1 | 0.850 | 0.912 | 37.302 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 361 | HIS | 0 | 0.012 | 0.007 | 39.355 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 362 | LYS | 1 | 0.818 | 0.890 | 36.694 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 363 | LEU | 0 | 0.007 | 0.006 | 35.591 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 364 | THR | 0 | -0.001 | 0.002 | 39.903 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 365 | VAL | 0 | -0.013 | -0.011 | 43.544 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 366 | ARG | 1 | 0.830 | 0.892 | 38.479 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 367 | LYS | 1 | 0.843 | 0.929 | 39.392 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 368 | LEU | 0 | -0.060 | -0.008 | 43.538 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 369 | LYS | 1 | 0.936 | 0.985 | 43.802 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 425 | ASN | 0 | -0.017 | -0.031 | 34.948 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 426 | LEU | 0 | 0.022 | 0.016 | 36.667 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 427 | PRO | 0 | 0.008 | 0.023 | 34.272 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 428 | LYS | 1 | 0.909 | 0.932 | 28.132 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 429 | LEU | 0 | -0.013 | 0.011 | 29.253 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 430 | LEU | 0 | -0.032 | -0.032 | 26.534 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 431 | GLY | 0 | 0.043 | 0.018 | 25.096 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 432 | PHE | 0 | -0.009 | -0.008 | 24.722 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 433 | GLY | 0 | 0.009 | 0.017 | 21.370 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 434 | ARG | 1 | 0.784 | 0.878 | 19.797 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 435 | THR | 0 | -0.004 | -0.005 | 20.316 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 436 | ALA | 0 | 0.097 | 0.052 | 21.789 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 437 | LYS | 1 | 0.843 | 0.925 | 23.210 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 438 | ASN | 0 | -0.096 | -0.049 | 25.078 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 439 | ASP | -1 | -0.872 | -0.929 | 23.108 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 440 | ALA | 0 | -0.003 | -0.012 | 26.767 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 441 | GLY | 0 | -0.032 | -0.023 | 28.012 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 442 | VAL | 0 | -0.020 | 0.000 | 26.790 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 443 | LEU | 0 | -0.082 | -0.041 | 29.213 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 444 | VAL | 0 | -0.054 | -0.029 | 30.632 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 445 | GLU | -1 | -0.795 | -0.909 | 29.790 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 446 | GLY | 0 | 0.029 | 0.032 | 28.926 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 447 | PRO | 0 | -0.032 | -0.026 | 28.416 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 448 | PHE | 0 | -0.055 | -0.032 | 24.946 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 449 | SER | 0 | -0.041 | -0.014 | 23.134 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 450 | GLY | 0 | 0.064 | 0.055 | 25.417 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 451 | PHE | 0 | 0.007 | -0.012 | 24.017 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 452 | VAL | 0 | 0.043 | 0.034 | 24.496 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 453 | PRO | 0 | -0.024 | 0.005 | 25.871 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 454 | TYR | 0 | 0.049 | 0.001 | 23.301 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 455 | LEU | 0 | -0.053 | -0.030 | 26.702 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 456 | GLN | 0 | 0.088 | 0.037 | 25.568 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 457 | GLY | 0 | -0.013 | 0.007 | 26.489 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 458 | GLY | 0 | 0.017 | 0.031 | 27.605 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 459 | ARG | 1 | 0.878 | 0.925 | 22.163 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 460 | PRO | 0 | -0.013 | -0.011 | 18.760 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 461 | VAL | 0 | 0.015 | 0.015 | 18.714 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 462 | GLY | 0 | 0.025 | 0.018 | 17.717 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 463 | GLU | -1 | -0.863 | -0.945 | 13.207 | -0.342 | -0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 464 | GLN | 0 | -0.011 | 0.001 | 14.334 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 465 | ILE | 0 | 0.005 | 0.004 | 17.060 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 466 | LEU | 0 | 0.005 | 0.021 | 19.397 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 467 | VAL | 0 | -0.049 | -0.028 | 20.649 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 468 | LYS | 1 | 0.886 | 0.929 | 23.447 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 469 | ASN | 0 | -0.037 | -0.023 | 26.984 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 470 | THR | 0 | 0.014 | 0.006 | 23.171 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 471 | LEU | 0 | 0.034 | 0.010 | 22.319 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 472 | ASN | 0 | -0.040 | -0.029 | 19.887 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 473 | PRO | 0 | -0.025 | 0.012 | 15.910 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 474 | GLY | 0 | -0.032 | -0.019 | 17.149 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 475 | GLU | -1 | -0.816 | -0.884 | 15.509 | -0.310 | -0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 476 | ILE | 0 | 0.009 | 0.006 | 12.452 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 477 | PRO | 0 | -0.013 | -0.013 | 8.351 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 478 | GLU | -1 | -0.923 | -0.958 | 8.513 | -0.481 | -0.481 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 479 | SER | 0 | 0.007 | -0.020 | 7.129 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 480 | ALA | 0 | 0.004 | 0.012 | 8.777 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 481 | GLN | 0 | -0.024 | -0.008 | 10.733 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 482 | PHE | 0 | 0.001 | -0.004 | 13.898 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 483 | VAL | 0 | -0.013 | -0.012 | 16.508 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 484 | PRO | 0 | -0.044 | 0.000 | 19.239 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 485 | TYR | 0 | -0.075 | -0.062 | 22.212 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 486 | PHE | 0 | 0.025 | 0.005 | 25.667 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 487 | VAL | 0 | -0.014 | -0.012 | 29.219 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 488 | ALA | 0 | 0.023 | 0.031 | 32.567 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 489 | ASP | -1 | -0.800 | -0.889 | 34.133 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 490 | TYR | 0 | 0.025 | 0.013 | 36.763 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 491 | PHE | 0 | -0.037 | -0.040 | 37.375 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 492 | LYS | 1 | 0.851 | 0.929 | 42.036 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 493 | LYS | 1 | 0.852 | 0.889 | 40.598 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 494 | ASP | -1 | -0.823 | -0.892 | 44.030 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 495 | PRO | 0 | 0.044 | -0.007 | 45.732 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 496 | LYS | 1 | 0.907 | 0.949 | 44.484 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 497 | GLY | 0 | -0.027 | -0.010 | 42.289 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 498 | GLY | 0 | 0.014 | 0.022 | 41.165 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 499 | VAL | 0 | -0.054 | -0.028 | 40.461 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 500 | ALA | 0 | 0.024 | 0.019 | 43.500 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 501 | THR | 0 | -0.076 | -0.077 | 46.651 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 502 | PHE | 0 | 0.017 | -0.015 | 48.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 503 | GLU | -1 | -0.857 | -0.947 | 51.709 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 504 | GLU | -1 | -0.821 | -0.887 | 49.556 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 505 | LEU | 0 | -0.011 | 0.003 | 47.752 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 506 | SER | 0 | -0.033 | -0.039 | 51.935 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 507 | MET | 0 | -0.054 | -0.035 | 55.248 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 508 | ALA | 0 | 0.000 | 0.017 | 53.698 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 509 | SER | 0 | -0.072 | -0.047 | 55.732 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 510 | THR | 0 | -0.070 | -0.057 | 57.377 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 511 | GLY | 0 | -0.002 | -0.002 | 59.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 512 | THR | 0 | -0.087 | -0.046 | 61.555 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 513 | ARG | 1 | 0.970 | 0.999 | 59.640 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 514 | ARG | 1 | 0.793 | 0.884 | 58.716 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 515 | LEU | 0 | 0.072 | 0.048 | 51.263 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 516 | GLY | 0 | 0.004 | -0.005 | 53.543 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 517 | VAL | 0 | -0.055 | -0.024 | 50.184 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 518 | MET | 0 | -0.002 | 0.001 | 47.539 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 519 | LYS | 1 | 0.856 | 0.926 | 46.250 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 520 | GLY | 0 | 0.030 | -0.008 | 46.679 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 521 | ASP | -1 | -0.799 | -0.873 | 44.511 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 522 | VAL | 0 | 0.015 | 0.013 | 41.869 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 523 | ASP | -1 | -0.759 | -0.846 | 44.948 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 524 | ARG | 1 | 0.900 | 0.933 | 46.737 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 525 | LEU | 0 | 0.072 | 0.054 | 39.268 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 526 | GLY | 0 | -0.004 | -0.013 | 41.541 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 527 | GLU | -1 | -0.808 | -0.873 | 42.260 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 528 | PHE | 0 | 0.031 | 0.019 | 38.696 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 529 | PHE | 0 | 0.014 | -0.011 | 35.886 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 530 | SER | 0 | -0.062 | -0.055 | 39.105 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 531 | SER | 0 | -0.104 | -0.053 | 41.775 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 532 | MET | 0 | -0.014 | 0.028 | 36.876 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 533 | ASP | -1 | -0.800 | -0.905 | 37.989 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 534 | SER | 0 | 0.026 | 0.016 | 33.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 535 | PRO | 0 | 0.018 | 0.007 | 29.543 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 536 | SER | 0 | 0.057 | -0.006 | 29.546 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 537 | LYS | 1 | 0.783 | 0.891 | 30.532 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 538 | LEU | 0 | 0.027 | 0.006 | 32.092 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 539 | ALA | 0 | -0.004 | 0.020 | 28.001 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 540 | THR | 0 | 0.006 | -0.005 | 30.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 541 | ALA | 0 | -0.022 | -0.006 | 31.817 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 542 | SER | 0 | -0.046 | -0.048 | 31.511 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 543 | ARG | 1 | 0.813 | 0.877 | 27.072 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 544 | PHE | 0 | 0.013 | 0.004 | 30.951 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 545 | MET | 0 | -0.018 | 0.013 | 33.905 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 546 | ASP | -1 | -0.799 | -0.901 | 31.647 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 547 | TYR | 0 | 0.001 | -0.019 | 26.709 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 548 | PHE | 0 | -0.031 | 0.004 | 33.263 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 549 | PHE | 0 | -0.025 | -0.023 | 37.051 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 550 | LYS | 1 | 0.788 | 0.872 | 32.544 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 551 | GLY | 0 | 0.052 | 0.034 | 33.231 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 552 | TYR | 0 | -0.019 | -0.012 | 33.935 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 553 | ILE | 0 | -0.026 | -0.017 | 37.349 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 554 | GLY | 0 | 0.025 | 0.013 | 37.924 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 555 | ALA | 0 | 0.057 | 0.036 | 38.436 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 556 | ILE | 0 | -0.056 | -0.022 | 40.178 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 557 | ILE | 0 | -0.038 | -0.017 | 41.310 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 558 | GLU | -1 | -0.859 | -0.937 | 39.712 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 559 | GLY | 0 | -0.034 | -0.018 | 43.809 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 560 | LYS | 1 | 0.764 | 0.865 | 39.869 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 561 | PHE | 0 | 0.010 | -0.008 | 38.692 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 562 | GLY | 0 | 0.032 | 0.019 | 44.633 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 563 | TYR | 0 | -0.010 | -0.004 | 47.538 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 564 | ILE | 0 | -0.001 | 0.007 | 44.293 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 565 | ILE | 0 | -0.054 | -0.010 | 45.759 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 566 | GLY | 0 | 0.025 | 0.017 | 49.172 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 567 | ASP | -1 | -0.922 | -0.964 | 52.621 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 568 | VAL | 0 | -0.013 | -0.015 | 52.027 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 569 | PRO | 0 | -0.074 | -0.041 | 55.444 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 570 | SER | 0 | 0.005 | -0.005 | 55.835 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 571 | LEU | 0 | -0.056 | -0.032 | 57.460 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 572 | ARG | 1 | 0.871 | 0.930 | 54.738 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 573 | ASP | -1 | -0.791 | -0.860 | 55.141 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 574 | TRP | 0 | -0.053 | -0.027 | 47.096 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 575 | PRO | 0 | -0.055 | -0.030 | 49.838 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 576 | GLU | -1 | -0.924 | -0.951 | 47.085 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 577 | GLU | -1 | -0.766 | -0.859 | 43.611 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 578 | PRO | 0 | -0.019 | 0.011 | 45.493 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 579 | ASP | -1 | -0.792 | -0.867 | 46.812 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 580 | ILE | 0 | -0.025 | -0.025 | 44.792 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 581 | VAL | 0 | -0.012 | -0.017 | 42.571 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 582 | VAL | 0 | -0.001 | 0.016 | 39.691 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 583 | VAL | 0 | -0.066 | -0.025 | 40.923 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 584 | TYR | 0 | 0.023 | -0.017 | 38.590 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 585 | ALA | 0 | 0.003 | -0.007 | 38.015 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 586 | GLY | 0 | 0.040 | 0.022 | 37.058 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 587 | GLY | 0 | 0.013 | 0.013 | 38.135 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 588 | ASP | -1 | -0.919 | -0.970 | 38.245 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 589 | ASP | -1 | -0.734 | -0.841 | 40.801 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 590 | PHE | 0 | -0.022 | 0.008 | 41.004 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 591 | PHE | 0 | 0.003 | 0.002 | 42.941 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 592 | ILE | 0 | 0.020 | 0.007 | 43.461 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 593 | VAL | 0 | -0.004 | -0.012 | 45.849 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 594 | GLY | 0 | 0.072 | 0.016 | 47.713 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 595 | ALA | 0 | 0.044 | 0.046 | 50.243 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 596 | TRP | 0 | -0.056 | -0.043 | 53.397 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 597 | ASP | -1 | -0.785 | -0.881 | 55.472 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 598 | GLN | 0 | 0.045 | 0.005 | 51.072 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 599 | ILE | 0 | -0.018 | -0.002 | 48.771 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 600 | PHE | 0 | -0.049 | -0.030 | 51.783 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 601 | GLU | -1 | -0.752 | -0.840 | 52.101 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 602 | LEU | 0 | -0.002 | 0.006 | 45.684 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 603 | ALA | 0 | 0.011 | 0.010 | 48.749 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 604 | PHE | 0 | -0.004 | -0.013 | 49.946 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 605 | ARG | 1 | 0.850 | 0.930 | 47.761 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 606 | VAL | 0 | 0.017 | 0.009 | 44.224 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 607 | ARG | 1 | 0.836 | 0.900 | 45.914 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 608 | ARG | 1 | 0.823 | 0.883 | 47.928 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 609 | ALA | 0 | 0.056 | 0.033 | 43.628 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 610 | PHE | 0 | 0.027 | 0.013 | 41.140 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 611 | ASN | 0 | -0.034 | -0.010 | 44.392 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 612 | ALA | 0 | 0.012 | 0.011 | 45.267 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 613 | TYR | 0 | -0.017 | -0.026 | 35.683 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 614 | THR | 0 | -0.031 | -0.032 | 41.047 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 615 | GLY | 0 | 0.015 | -0.003 | 42.994 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 616 | GLY | 0 | -0.038 | -0.017 | 45.537 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 617 | LYS | 1 | 0.835 | 0.913 | 45.281 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 618 | LEU | 0 | -0.006 | 0.010 | 42.212 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 619 | THR | 0 | -0.061 | -0.043 | 46.295 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 620 | LEU | 0 | 0.004 | 0.002 | 44.667 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 621 | SER | 0 | -0.015 | -0.011 | 48.409 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 622 | VAL | 0 | -0.011 | -0.021 | 48.945 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 623 | GLY | 0 | 0.003 | 0.011 | 51.367 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 624 | LEU | 0 | -0.003 | 0.004 | 52.137 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 625 | GLY | 0 | -0.015 | -0.019 | 54.635 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 626 | TYR | 0 | -0.015 | -0.022 | 55.450 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 627 | PHE | 0 | 0.010 | 0.017 | 55.123 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 628 | ASP | -1 | -0.796 | -0.884 | 58.393 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 629 | GLU | -1 | -0.755 | -0.842 | 56.434 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 630 | ARG | 1 | 0.779 | 0.867 | 55.976 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 631 | THR | 0 | -0.050 | -0.026 | 56.938 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 632 | PRO | 0 | 0.000 | 0.000 | 54.604 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 633 | ILE | 0 | 0.043 | -0.001 | 48.587 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 634 | TYR | 0 | 0.078 | 0.034 | 51.189 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 635 | ARG | 1 | 0.930 | 0.986 | 52.257 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 636 | MET | 0 | -0.040 | -0.001 | 52.921 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 637 | ALA | 0 | 0.040 | 0.017 | 50.222 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 638 | ASP | -1 | -0.807 | -0.860 | 52.233 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 639 | VAL | 0 | -0.056 | -0.027 | 54.547 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 640 | VAL | 0 | -0.028 | -0.025 | 51.619 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 641 | SER | 0 | 0.034 | -0.003 | 51.038 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 642 | GLU | -1 | -0.886 | -0.929 | 52.688 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 643 | ARG | 1 | 0.804 | 0.906 | 55.946 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 644 | LEU | 0 | -0.011 | 0.010 | 48.770 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 645 | ASP | -1 | -0.786 | -0.896 | 51.747 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 646 | THR | 0 | -0.043 | -0.027 | 54.310 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 647 | ALA | 0 | -0.046 | -0.031 | 54.430 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 648 | LYS | 1 | 0.755 | 0.860 | 48.718 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 649 | ASP | -1 | -0.947 | -0.962 | 54.306 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 650 | GLU | -1 | -0.728 | -0.832 | 57.511 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 651 | GLY | 0 | -0.051 | -0.038 | 57.350 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 652 | ARG | 1 | 0.817 | 0.923 | 51.103 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 653 | ASN | 0 | 0.084 | 0.038 | 52.390 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 654 | ARG | 1 | 0.714 | 0.847 | 53.518 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 655 | VAL | 0 | 0.069 | 0.042 | 53.713 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 656 | PHE | 0 | -0.002 | -0.016 | 55.465 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 657 | VAL | 0 | -0.007 | 0.008 | 57.236 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 658 | VAL | 0 | 0.016 | 0.004 | 58.469 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 659 | GLY | 0 | -0.007 | 0.018 | 61.054 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 660 | ARG | 1 | 0.812 | 0.897 | 63.198 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 661 | SER | 0 | 0.003 | -0.015 | 66.843 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 662 | ARG | 1 | 0.879 | 0.919 | 64.277 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 663 | PRO | 0 | 0.038 | 0.045 | 70.757 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 664 | LEU | 0 | -0.032 | -0.031 | 69.906 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 665 | ASP | -1 | -0.709 | -0.847 | 72.069 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 666 | GLY | 0 | 0.025 | 0.024 | 69.276 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 667 | LYS | 1 | 0.829 | 0.904 | 69.511 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 668 | HIS | 0 | 0.009 | 0.011 | 68.345 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 669 | LYS | 1 | 0.938 | 0.982 | 61.328 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 670 | LEU | 0 | -0.021 | 0.003 | 62.647 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 671 | SER | 0 | -0.014 | -0.018 | 58.007 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 672 | TYR | 0 | -0.039 | -0.026 | 59.349 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 673 | GLU | -1 | -0.744 | -0.862 | 57.498 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 674 | TRP | 0 | 0.006 | -0.010 | 50.899 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 675 | ASN | 0 | 0.064 | 0.025 | 55.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 676 | HIS | 0 | -0.009 | 0.022 | 58.164 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 677 | TYR | 0 | 0.016 | -0.031 | 58.617 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 678 | GLU | -1 | -0.790 | -0.878 | 54.498 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 679 | GLU | -1 | -0.839 | -0.884 | 59.315 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 680 | LEU | 0 | -0.017 | 0.000 | 62.582 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 681 | TRP | 0 | 0.042 | 0.010 | 60.831 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 682 | ARG | 1 | 0.852 | 0.897 | 61.086 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | A | 683 | THR | 0 | -0.018 | -0.015 | 63.072 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | A | 684 | TYR | 0 | -0.073 | -0.047 | 66.426 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | A | 685 | ALA | 0 | 0.037 | 0.026 | 64.311 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | A | 686 | PRO | 0 | 0.014 | 0.006 | 65.017 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | A | 687 | ARG | 1 | 0.761 | 0.866 | 67.446 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 621 | A | 688 | ILE | 0 | -0.032 | -0.012 | 68.681 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 622 | A | 689 | TYR | 0 | -0.035 | -0.024 | 61.848 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 623 | A | 690 | ALA | 0 | -0.041 | -0.036 | 66.673 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 624 | A | 691 | GLY | 0 | 0.068 | 0.055 | 62.466 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 625 | A | 692 | ASN | 0 | -0.030 | -0.040 | 59.264 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 626 | A | 693 | GLY | 0 | 0.043 | 0.028 | 61.921 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 627 | A | 694 | ARG | 1 | 0.873 | 0.942 | 64.455 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 628 | A | 695 | LEU | 0 | 0.012 | 0.004 | 67.365 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 629 | A | 696 | LYS | 1 | 0.872 | 0.927 | 67.655 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 630 | A | 697 | GLY | 0 | 0.064 | 0.024 | 71.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 631 | A | 698 | LYS | 1 | 0.854 | 0.910 | 75.097 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 632 | A | 699 | LEU | 0 | 0.017 | 0.004 | 72.781 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 633 | A | 700 | GLU | -1 | -0.702 | -0.824 | 75.448 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 634 | A | 701 | SER | 0 | -0.076 | -0.060 | 76.953 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 635 | A | 702 | LYS | 1 | 0.831 | 0.937 | 78.321 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 636 | A | 703 | LYS | 1 | 0.840 | 0.903 | 73.666 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 637 | A | 704 | GLY | 0 | 0.015 | 0.015 | 75.276 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 638 | A | 705 | LEU | 0 | -0.004 | 0.002 | 76.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 639 | A | 706 | LEU | 0 | 0.019 | 0.006 | 70.842 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 640 | A | 707 | TRP | 0 | 0.033 | 0.005 | 71.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 641 | A | 708 | LYS | 1 | 0.821 | 0.899 | 74.809 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 642 | A | 709 | LEU | 0 | 0.048 | 0.018 | 75.432 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 643 | A | 710 | LEU | 0 | -0.033 | -0.003 | 70.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 644 | A | 711 | GLU | -1 | -0.834 | -0.902 | 74.670 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 645 | A | 712 | ILE | 0 | 0.000 | 0.008 | 77.662 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 646 | A | 713 | ARG | 1 | 0.781 | 0.893 | 69.611 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 647 | A | 714 | GLU | -1 | -0.848 | -0.902 | 73.146 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 648 | A | 715 | LEU | 0 | -0.038 | -0.016 | 76.492 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 649 | A | 716 | TYR | 0 | 0.010 | -0.006 | 73.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 650 | A | 717 | VAL | 0 | -0.077 | -0.044 | 72.882 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 651 | A | 718 | ARG | 1 | 0.912 | 0.950 | 75.540 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 652 | A | 719 | ASP | -1 | -0.849 | -0.921 | 78.592 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 653 | A | 720 | PRO | 0 | -0.026 | -0.014 | 76.116 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 654 | A | 721 | ASN | 0 | -0.048 | -0.011 | 78.450 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 655 | A | 722 | ASP | -1 | -0.756 | -0.851 | 81.644 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 656 | A | 723 | VAL | 0 | 0.009 | -0.006 | 82.414 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 657 | A | 724 | ARG | 1 | 0.771 | 0.859 | 82.536 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 658 | A | 725 | TRP | 0 | 0.011 | 0.007 | 78.286 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 659 | A | 726 | ALA | 0 | 0.030 | 0.038 | 81.210 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 660 | A | 727 | TYR | 0 | 0.037 | 0.001 | 82.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 661 | A | 728 | LEU | 0 | -0.012 | -0.009 | 83.122 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 662 | A | 729 | THR | 0 | -0.041 | -0.040 | 78.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 663 | A | 730 | ALA | 0 | 0.022 | 0.022 | 81.511 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 664 | A | 731 | TYR | 0 | 0.024 | 0.009 | 84.251 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 665 | A | 732 | LEU | 0 | -0.014 | 0.002 | 80.599 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 666 | A | 733 | LEU | 0 | 0.022 | 0.006 | 78.586 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 667 | A | 734 | GLY | 0 | 0.031 | 0.026 | 82.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 668 | A | 735 | ARG | 1 | 0.875 | 0.922 | 86.148 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 669 | A | 736 | HIS | 0 | 0.022 | 0.010 | 81.117 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 670 | A | 737 | GLY | 0 | 0.000 | 0.014 | 82.998 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 671 | A | 738 | LEU | 0 | -0.072 | -0.051 | 77.959 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 672 | A | 739 | SER | 0 | 0.014 | -0.003 | 80.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 673 | A | 740 | ASP | -1 | -0.816 | -0.883 | 78.816 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 674 | A | 741 | LEU | 0 | -0.044 | -0.014 | 74.966 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 675 | A | 742 | PHE | 0 | -0.014 | -0.027 | 71.856 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 676 | A | 743 | PRO | 0 | 0.057 | 0.031 | 75.283 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 677 | A | 744 | GLU | -1 | -0.716 | -0.841 | 72.992 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 678 | A | 745 | LEU | 0 | -0.052 | -0.030 | 73.048 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 679 | A | 746 | VAL | 0 | -0.007 | 0.007 | 77.154 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 680 | A | 747 | GLY | 0 | 0.005 | 0.007 | 79.849 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 681 | A | 748 | ILE | 0 | -0.008 | 0.007 | 79.701 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 682 | A | 749 | ASP | -1 | -0.801 | -0.924 | 75.346 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 683 | A | 750 | THR | 0 | 0.026 | 0.008 | 77.471 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 684 | A | 751 | LYS | 1 | 0.880 | 0.948 | 76.332 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 685 | A | 752 | ALA | 0 | 0.023 | 0.026 | 73.120 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 686 | A | 753 | VAL | 0 | -0.040 | -0.017 | 74.068 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 687 | A | 754 | GLU | -1 | -0.936 | -0.973 | 76.311 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 688 | A | 755 | ARG | 1 | 0.850 | 0.907 | 67.382 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 689 | A | 756 | LYS | 1 | 0.864 | 0.942 | 69.444 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 690 | A | 757 | GLU | -1 | -0.845 | -0.895 | 68.147 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 691 | A | 758 | PRO | 0 | -0.057 | -0.022 | 69.394 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 692 | A | 759 | GLN | 0 | 0.040 | 0.000 | 71.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 693 | A | 760 | PRO | 0 | 0.048 | 0.015 | 71.189 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 694 | A | 761 | VAL | 0 | 0.003 | -0.005 | 71.209 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 695 | A | 762 | TYR | 0 | -0.051 | -0.042 | 66.762 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 696 | A | 763 | TRP | 0 | 0.053 | 0.029 | 64.307 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 697 | A | 764 | VAL | 0 | 0.054 | 0.041 | 66.791 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 698 | A | 765 | ASP | -1 | -0.749 | -0.891 | 67.713 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 699 | A | 766 | GLY | 0 | 0.014 | 0.017 | 64.177 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 700 | A | 767 | VAL | 0 | -0.009 | 0.021 | 63.311 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 701 | A | 768 | LEU | 0 | 0.005 | -0.006 | 65.429 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 702 | A | 769 | LYS | 1 | 0.789 | 0.877 | 65.801 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 703 | A | 770 | ILE | 0 | 0.002 | 0.022 | 61.052 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 704 | A | 771 | VAL | 0 | 0.053 | 0.016 | 63.693 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 705 | A | 772 | LEU | 0 | -0.024 | -0.020 | 65.745 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 706 | A | 773 | MET | 0 | -0.108 | -0.045 | 62.458 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 707 | A | 774 | ALA | 0 | 0.034 | 0.033 | 62.504 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 708 | A | 775 | VAL | 0 | -0.013 | -0.018 | 63.842 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 709 | A | 776 | ARG | 1 | 0.905 | 0.971 | 66.554 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 710 | A | 777 | ARG | 1 | 0.995 | 1.005 | 67.366 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |