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: JQJY9
Calculation Name: 4BEJ-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 4BEJ
Chain ID: A
UniProt ID: O00429
Base Structure: X-ray
Registration Date: 2023-09-24
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 | 565 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -9868551.387137 |
|---|---|
| FMO2-HF: Nuclear repulsion | 9646023.169389 |
| FMO2-HF: Total energy | -222528.217748 |
| FMO2-MP2: Total energy | -223175.328409 |
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. |
| -19.427 | -22.761 | 19.718 | -6.99 | -9.392 | 0.047 |
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 | ALA | 0 | 0.018 | -0.007 | 3.073 | 0.864 | 3.047 | 0.088 | -0.833 | -1.439 | 0.000 |
| 4 | A | 4 | LEU | 0 | -0.005 | -0.008 | 2.306 | 0.869 | 1.632 | 2.141 | -0.696 | -2.207 | -0.001 |
| 5 | A | 5 | ILE | 0 | 0.021 | 0.018 | 4.969 | 0.520 | 0.660 | -0.001 | -0.012 | -0.126 | 0.000 |
| 6 | A | 6 | PRO | 0 | -0.016 | -0.007 | 6.814 | 0.358 | 0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 7 | VAL | 0 | 0.019 | 0.010 | 6.883 | 0.338 | 0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 8 | ILE | 0 | 0.035 | 0.016 | 8.908 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 9 | ASN | 0 | 0.038 | 0.028 | 11.135 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 10 | LYS | 1 | 0.842 | 0.925 | 10.422 | 1.745 | 1.745 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 11 | LEU | 0 | -0.004 | -0.003 | 12.743 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 12 | GLN | 0 | -0.006 | 0.000 | 15.128 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 13 | ASP | -1 | -0.791 | -0.890 | 16.976 | -0.537 | -0.537 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 14 | VAL | 0 | -0.075 | -0.039 | 17.498 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 15 | PHE | 0 | 0.043 | 0.007 | 17.869 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 16 | ASN | 0 | -0.002 | 0.000 | 21.676 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 17 | THR | 0 | -0.032 | -0.015 | 23.503 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 18 | VAL | 0 | -0.024 | -0.017 | 25.010 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 19 | GLY | 0 | 0.051 | 0.025 | 24.821 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 20 | ALA | 0 | 0.038 | 0.014 | 20.817 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 21 | ASP | -1 | -0.930 | -0.968 | 21.281 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 22 | ILE | 0 | -0.017 | -0.003 | 23.411 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 23 | ILE | 0 | -0.036 | -0.017 | 17.766 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 24 | GLN | 0 | -0.049 | -0.028 | 18.775 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 25 | LEU | 0 | 0.044 | 0.023 | 14.926 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 26 | PRO | 0 | 0.030 | 0.006 | 11.362 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 27 | GLN | 0 | -0.013 | 0.005 | 13.321 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 28 | ILE | 0 | -0.006 | 0.003 | 14.262 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 29 | VAL | 0 | 0.017 | 0.011 | 17.191 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 30 | VAL | 0 | -0.002 | 0.000 | 20.968 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 31 | VAL | 0 | 0.039 | 0.030 | 23.405 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 32 | GLY | 0 | 0.031 | -0.006 | 26.788 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 33 | THR | 0 | -0.013 | 0.002 | 29.816 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 34 | GLN | 0 | 0.015 | -0.009 | 32.716 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 35 | SER | 0 | -0.004 | 0.000 | 34.203 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 36 | SER | 0 | -0.001 | -0.002 | 30.532 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 37 | GLY | 0 | 0.019 | 0.020 | 31.183 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 38 | LYS | 1 | 0.788 | 0.887 | 26.730 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 39 | SER | 0 | 0.078 | 0.031 | 26.690 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 40 | SER | 0 | 0.028 | 0.012 | 27.110 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 41 | VAL | 0 | -0.014 | -0.010 | 22.523 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 42 | LEU | 0 | -0.008 | 0.000 | 22.115 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 43 | GLU | -1 | -0.830 | -0.900 | 22.995 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 44 | SER | 0 | -0.009 | -0.037 | 23.787 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 45 | LEU | 0 | -0.072 | -0.034 | 17.965 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 46 | VAL | 0 | -0.012 | 0.006 | 19.421 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 47 | GLY | 0 | 0.009 | 0.016 | 21.524 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 48 | ARG | 1 | 0.855 | 0.908 | 23.964 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 49 | ASP | -1 | -0.815 | -0.891 | 26.746 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 50 | LEU | 0 | 0.023 | 0.014 | 24.493 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 51 | LEU | 0 | 0.031 | 0.017 | 26.994 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 52 | PRO | 0 | 0.011 | 0.004 | 30.112 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 53 | ARG | 1 | 0.813 | 0.872 | 31.430 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 54 | GLY | 0 | -0.002 | -0.004 | 35.262 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 55 | THR | 0 | 0.007 | -0.007 | 38.339 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 56 | GLY | 0 | 0.016 | 0.014 | 40.452 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 57 | ILE | 0 | -0.050 | -0.009 | 36.387 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 58 | VAL | 0 | 0.019 | 0.007 | 36.275 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 59 | THR | 0 | 0.007 | 0.011 | 30.938 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 60 | ARG | 1 | 0.827 | 0.915 | 33.335 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 61 | ARG | 1 | 0.827 | 0.902 | 28.466 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 62 | PRO | 0 | -0.016 | 0.010 | 24.950 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 63 | LEU | 0 | -0.008 | 0.001 | 23.537 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 64 | ILE | 0 | -0.027 | -0.012 | 18.816 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 65 | LEU | 0 | 0.027 | 0.022 | 19.934 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 66 | GLN | 0 | -0.036 | -0.039 | 15.918 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 67 | LEU | 0 | 0.022 | 0.013 | 15.939 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 68 | VAL | 0 | -0.023 | -0.019 | 12.814 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 69 | HIS | 0 | 0.016 | 0.003 | 12.214 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 70 | VAL | 0 | -0.023 | -0.015 | 13.753 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 71 | SER | 0 | -0.044 | -0.006 | 14.173 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 85 | VAL | 0 | -0.064 | -0.035 | 23.520 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 86 | GLU | -1 | -0.925 | -0.965 | 26.846 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 87 | ALA | 0 | 0.004 | 0.002 | 26.847 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 88 | GLU | -1 | -0.904 | -0.962 | 23.097 | -0.420 | -0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 89 | GLU | -1 | -0.850 | -0.879 | 22.432 | -0.348 | -0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 90 | TRP | 0 | -0.018 | -0.003 | 19.706 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 91 | GLY | 0 | 0.033 | 0.013 | 22.405 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 92 | LYS | 1 | 0.930 | 0.974 | 19.000 | 0.629 | 0.629 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 93 | PHE | 0 | 0.016 | 0.017 | 22.617 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 94 | LEU | 0 | -0.041 | -0.009 | 21.077 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 95 | HIS | 0 | 0.027 | 0.014 | 23.932 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 96 | THR | 0 | -0.036 | -0.003 | 27.747 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 97 | LYS | 1 | 0.981 | 0.983 | 25.273 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 98 | ASN | 0 | -0.073 | -0.050 | 24.593 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 99 | LYS | 1 | 0.860 | 0.940 | 25.617 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 100 | LEU | 0 | -0.006 | -0.001 | 23.523 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 101 | TYR | 0 | -0.027 | -0.031 | 26.390 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 102 | THR | 0 | 0.068 | 0.013 | 27.055 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 103 | ASP | -1 | -0.800 | -0.888 | 28.925 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 104 | PHE | 0 | -0.046 | -0.050 | 24.403 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 105 | ASP | -1 | -0.848 | -0.907 | 30.043 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 106 | GLU | -1 | -0.834 | -0.907 | 31.747 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 107 | ILE | 0 | -0.048 | -0.019 | 25.873 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 108 | ARG | 1 | 0.756 | 0.845 | 29.835 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 109 | GLN | 0 | -0.002 | 0.003 | 31.848 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 110 | GLU | -1 | -0.735 | -0.835 | 30.677 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 111 | ILE | 0 | -0.012 | -0.006 | 27.717 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 112 | GLU | -1 | -0.835 | -0.882 | 31.108 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 113 | ASN | 0 | -0.018 | -0.026 | 34.535 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 114 | GLU | -1 | -0.823 | -0.903 | 29.762 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 115 | THR | 0 | -0.077 | -0.038 | 32.574 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 116 | GLU | -1 | -0.899 | -0.960 | 34.166 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 117 | ARG | 1 | 0.822 | 0.879 | 33.051 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 118 | ILE | 0 | -0.013 | 0.007 | 33.387 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 119 | SER | 0 | 0.009 | -0.003 | 36.689 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 120 | GLY | 0 | -0.017 | -0.019 | 39.190 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 121 | ASN | 0 | -0.023 | -0.009 | 41.776 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 122 | ASN | 0 | -0.006 | -0.012 | 42.806 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 123 | LYS | 1 | 0.872 | 0.955 | 36.323 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 124 | GLY | 0 | 0.003 | 0.017 | 39.200 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 125 | VAL | 0 | -0.009 | -0.011 | 33.046 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 126 | SER | 0 | 0.020 | 0.004 | 32.646 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 127 | PRO | 0 | 0.011 | -0.023 | 29.236 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 128 | GLU | -1 | -0.879 | -0.912 | 27.675 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 129 | PRO | 0 | 0.023 | 0.016 | 23.647 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 130 | ILE | 0 | 0.004 | 0.024 | 25.798 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 131 | HIS | 0 | -0.014 | -0.011 | 19.082 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 132 | LEU | 0 | -0.011 | -0.008 | 21.684 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 133 | LYS | 1 | 0.781 | 0.887 | 15.729 | 0.609 | 0.609 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 134 | ILE | 0 | 0.010 | -0.010 | 18.929 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 135 | PHE | 0 | -0.004 | -0.005 | 15.760 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 136 | SER | 0 | 0.040 | -0.017 | 18.147 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 137 | PRO | 0 | 0.015 | 0.022 | 17.781 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 138 | ASN | 0 | -0.063 | -0.050 | 18.222 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 139 | VAL | 0 | -0.025 | 0.007 | 16.190 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 140 | VAL | 0 | -0.032 | -0.020 | 12.186 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 141 | ASN | 0 | 0.022 | 0.008 | 9.050 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 142 | LEU | 0 | -0.026 | -0.017 | 10.961 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 143 | THR | 0 | -0.022 | -0.027 | 13.342 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 144 | LEU | 0 | -0.052 | -0.025 | 15.188 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 145 | VAL | 0 | 0.036 | 0.022 | 18.419 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 146 | ASP | -1 | -0.844 | -0.916 | 20.892 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 147 | LEU | 0 | 0.012 | 0.014 | 24.196 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 148 | PRO | 0 | 0.028 | 0.011 | 27.009 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 149 | GLY | 0 | 0.016 | 0.014 | 30.764 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 150 | MET | 0 | -0.023 | -0.004 | 31.501 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 151 | THR | 0 | -0.063 | -0.068 | 34.908 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 152 | LYS | 1 | 0.809 | 0.901 | 36.999 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 161 | ASP | -1 | -0.855 | -0.937 | 42.637 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 162 | ILE | 0 | 0.052 | 0.020 | 38.964 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 163 | GLU | -1 | -0.739 | -0.841 | 37.184 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 164 | LEU | 0 | -0.020 | -0.015 | 36.807 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 165 | GLN | 0 | -0.007 | -0.013 | 36.564 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 166 | ILE | 0 | 0.005 | 0.007 | 32.529 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 167 | ARG | 1 | 0.825 | 0.902 | 32.249 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 168 | GLU | -1 | -0.812 | -0.859 | 32.204 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 169 | LEU | 0 | 0.037 | 0.019 | 28.491 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 170 | ILE | 0 | -0.011 | -0.017 | 27.545 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 171 | LEU | 0 | -0.005 | 0.001 | 27.323 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 172 | ARG | 1 | 0.808 | 0.892 | 26.719 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 173 | PHE | 0 | -0.003 | -0.011 | 22.450 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 174 | ILE | 0 | -0.025 | -0.013 | 22.841 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 175 | SER | 0 | 0.003 | -0.013 | 24.154 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 176 | ASN | 0 | -0.059 | -0.020 | 18.115 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 177 | PRO | 0 | 0.057 | 0.041 | 19.950 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 178 | ASN | 0 | -0.028 | -0.010 | 14.613 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 179 | SER | 0 | -0.036 | -0.017 | 16.035 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 180 | ILE | 0 | 0.002 | 0.006 | 14.416 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 181 | ILE | 0 | 0.011 | 0.003 | 18.310 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 182 | LEU | 0 | -0.012 | -0.012 | 19.447 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 183 | ALA | 0 | 0.032 | 0.010 | 22.081 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 184 | VAL | 0 | -0.006 | -0.006 | 24.962 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 185 | THR | 0 | -0.036 | -0.032 | 27.167 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 186 | ALA | 0 | 0.011 | 0.021 | 30.391 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 187 | ALA | 0 | 0.034 | -0.002 | 32.459 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 188 | ASN | 0 | -0.033 | -0.004 | 33.885 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 189 | THR | 0 | -0.057 | -0.021 | 35.359 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 190 | ASP | -1 | -0.788 | -0.909 | 35.859 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 191 | MET | 0 | -0.020 | -0.008 | 30.647 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 192 | ALA | 0 | 0.020 | 0.023 | 33.776 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 193 | THR | 0 | -0.031 | -0.028 | 35.669 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 194 | SER | 0 | 0.008 | 0.008 | 32.191 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 195 | GLU | -1 | -0.749 | -0.862 | 34.117 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 196 | ALA | 0 | -0.015 | -0.001 | 29.415 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 197 | LEU | 0 | 0.020 | 0.005 | 29.308 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 198 | LYS | 1 | 0.824 | 0.910 | 30.756 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 199 | ILE | 0 | 0.027 | 0.015 | 29.365 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 200 | SER | 0 | 0.022 | 0.019 | 26.469 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 201 | ARG | 1 | 0.768 | 0.880 | 28.169 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 202 | GLU | -1 | -0.830 | -0.906 | 30.527 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 203 | VAL | 0 | 0.000 | -0.003 | 26.573 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 204 | ASP | -1 | -0.785 | -0.882 | 24.045 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 205 | PRO | 0 | 0.006 | 0.012 | 26.890 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 206 | ASP | -1 | -0.881 | -0.936 | 27.110 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 207 | GLY | 0 | 0.067 | 0.056 | 25.527 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 208 | ARG | 1 | 0.803 | 0.858 | 21.471 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 209 | ARG | 1 | 0.792 | 0.888 | 19.257 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 210 | THR | 0 | 0.022 | -0.005 | 20.417 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 211 | LEU | 0 | -0.042 | -0.008 | 17.720 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 212 | ALA | 0 | 0.021 | 0.012 | 21.488 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 213 | VAL | 0 | -0.018 | -0.023 | 22.321 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 214 | ILE | 0 | 0.033 | 0.011 | 24.986 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 215 | THR | 0 | -0.008 | -0.015 | 27.742 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 216 | LYS | 1 | 0.873 | 0.940 | 29.466 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 217 | LEU | 0 | 0.019 | 0.013 | 28.162 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 218 | ASP | -1 | -0.870 | -0.956 | 32.470 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 219 | LEU | 0 | -0.078 | -0.028 | 35.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 220 | MET | 0 | -0.027 | 0.005 | 31.741 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 221 | ASP | -1 | -0.889 | -0.948 | 36.887 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 222 | ALA | 0 | -0.004 | -0.005 | 38.786 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 223 | GLY | 0 | -0.020 | 0.002 | 40.699 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 224 | THR | 0 | -0.052 | -0.040 | 36.999 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 225 | ASP | -1 | -0.822 | -0.928 | 34.377 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 226 | ALA | 0 | 0.001 | -0.001 | 32.516 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 227 | MET | 0 | -0.015 | -0.010 | 31.899 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 228 | ASP | -1 | -0.790 | -0.893 | 32.949 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 229 | VAL | 0 | -0.023 | -0.011 | 28.729 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 230 | LEU | 0 | -0.008 | 0.010 | 27.412 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 231 | MET | 0 | -0.022 | -0.004 | 27.632 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 232 | GLY | 0 | -0.010 | 0.004 | 28.467 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 233 | ARG | 1 | 0.804 | 0.875 | 29.335 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 234 | VAL | 0 | 0.022 | 0.022 | 30.864 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 235 | ILE | 0 | 0.036 | 0.019 | 26.608 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 236 | PRO | 0 | 0.005 | 0.016 | 28.608 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 237 | VAL | 0 | -0.006 | -0.005 | 24.391 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 238 | LYS | 1 | 0.926 | 0.962 | 21.861 | -0.378 | -0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 239 | LEU | 0 | -0.021 | 0.005 | 17.339 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 240 | GLY | 0 | -0.021 | -0.004 | 19.132 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 241 | ILE | 0 | -0.020 | -0.003 | 21.759 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 242 | ILE | 0 | -0.018 | -0.011 | 19.253 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 243 | GLY | 0 | 0.049 | 0.034 | 23.148 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 244 | VAL | 0 | -0.031 | -0.019 | 23.830 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 245 | VAL | 0 | -0.054 | -0.028 | 26.860 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 246 | ASN | 0 | 0.023 | -0.001 | 26.753 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 247 | ARG | 1 | 0.774 | 0.868 | 30.047 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 248 | SER | 0 | 0.037 | 0.027 | 32.702 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 249 | GLN | 0 | 0.026 | 0.004 | 35.393 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 250 | LEU | 0 | -0.016 | -0.016 | 38.343 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 251 | ASP | -1 | -0.741 | -0.867 | 35.265 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 252 | ILE | 0 | -0.031 | -0.005 | 35.309 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 253 | ASN | 0 | 0.013 | 0.016 | 37.877 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 254 | ASN | 0 | -0.041 | -0.038 | 38.569 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 255 | LYS | 1 | 0.832 | 0.902 | 38.278 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 256 | LYS | 1 | 0.835 | 0.935 | 33.235 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 257 | SER | 0 | 0.080 | 0.036 | 30.390 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 258 | VAL | 0 | 0.025 | 0.021 | 25.857 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 259 | THR | 0 | 0.059 | 0.013 | 25.597 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 260 | ASP | -1 | -0.871 | -0.912 | 27.526 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 261 | SER | 0 | 0.020 | 0.004 | 29.039 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 262 | ILE | 0 | 0.017 | 0.014 | 23.473 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 263 | ARG | 1 | 0.838 | 0.910 | 26.938 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 264 | ASP | -1 | -0.877 | -0.935 | 29.075 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 265 | GLU | -1 | -0.723 | -0.840 | 25.431 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 266 | TYR | 0 | -0.023 | -0.023 | 25.883 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 267 | ALA | 0 | 0.006 | 0.008 | 28.191 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 268 | PHE | 0 | -0.039 | -0.030 | 31.635 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 269 | LEU | 0 | 0.037 | 0.003 | 26.372 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 270 | GLN | 0 | -0.029 | -0.017 | 29.281 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 271 | LYS | 1 | 0.877 | 0.967 | 31.598 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 272 | LYS | 1 | 0.895 | 0.958 | 33.951 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 273 | TYR | 0 | 0.040 | 0.011 | 31.065 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 274 | PRO | 0 | 0.069 | 0.052 | 30.441 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 275 | SER | 0 | -0.032 | -0.027 | 29.513 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 276 | LEU | 0 | -0.015 | -0.014 | 27.363 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 277 | ALA | 0 | 0.021 | 0.035 | 26.092 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 278 | ASN | 0 | -0.028 | -0.021 | 22.667 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 279 | ARG | 1 | 0.825 | 0.908 | 21.447 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 280 | ASN | 0 | -0.029 | -0.035 | 22.745 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 281 | GLY | 0 | 0.041 | 0.030 | 23.083 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 282 | THR | 0 | -0.011 | -0.029 | 21.078 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 283 | LYN | 0 | 0.042 | 0.051 | 18.867 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 284 | TYR | 0 | -0.023 | -0.006 | 17.122 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 285 | LEU | 0 | 0.025 | 0.013 | 17.063 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 286 | ALA | 0 | 0.043 | 0.018 | 16.055 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 287 | ARG | 1 | 0.922 | 0.934 | 12.713 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 288 | THR | 0 | -0.042 | -0.019 | 12.196 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 289 | LEU | 0 | 0.028 | 0.017 | 12.995 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 290 | ASN | 0 | 0.037 | 0.021 | 7.699 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 291 | ARG | 1 | 0.893 | 0.943 | 8.320 | -0.497 | -0.497 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 292 | LEU | 0 | -0.021 | -0.009 | 9.031 | 0.390 | 0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 293 | LEU | 0 | 0.033 | 0.018 | 9.982 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 294 | MET | 0 | -0.009 | 0.002 | 3.321 | 0.573 | 1.193 | 0.712 | -0.316 | -1.016 | -0.001 |
| 274 | A | 295 | HIS | 0 | 0.007 | -0.009 | 5.589 | 1.558 | 1.558 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 296 | HIS | 0 | 0.001 | -0.003 | 8.052 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 297 | ILE | 0 | 0.005 | 0.012 | 6.647 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 298 | ARG | 1 | 0.845 | 0.897 | 1.882 | -25.036 | -32.076 | 16.778 | -5.133 | -4.604 | 0.049 |
| 278 | A | 299 | ASP | -1 | -0.896 | -0.948 | 6.454 | 1.785 | 1.785 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 300 | CYS | 0 | -0.093 | -0.035 | 10.009 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 301 | LEU | 0 | 0.039 | 0.023 | 6.542 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 302 | PRO | 0 | 0.011 | 0.000 | 9.638 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 303 | GLU | -1 | -0.821 | -0.882 | 12.244 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 304 | LEU | 0 | 0.012 | 0.012 | 11.613 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 305 | LYS | 1 | 0.890 | 0.941 | 12.362 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 306 | THR | 0 | -0.029 | -0.024 | 14.405 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 307 | ARG | 1 | 0.843 | 0.912 | 17.195 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 308 | ILE | 0 | 0.034 | 0.013 | 14.949 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 309 | ASN | 0 | 0.000 | -0.001 | 17.679 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 310 | VAL | 0 | -0.003 | 0.005 | 20.361 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 311 | LEU | 0 | 0.033 | 0.018 | 21.557 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 312 | ALA | 0 | -0.008 | -0.001 | 22.203 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 313 | ALA | 0 | 0.007 | 0.001 | 24.156 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 314 | GLN | 0 | 0.001 | 0.009 | 26.428 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 315 | TYR | 0 | 0.036 | 0.007 | 26.831 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 316 | GLN | 0 | -0.014 | 0.015 | 28.099 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 317 | SER | 0 | -0.027 | -0.018 | 29.881 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 318 | LEU | 0 | -0.007 | -0.001 | 32.013 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 319 | LEU | 0 | 0.010 | 0.004 | 31.862 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 320 | ASN | 0 | -0.063 | -0.060 | 32.927 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 321 | SER | 0 | 0.007 | 0.009 | 35.952 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 322 | TYR | 0 | -0.013 | -0.015 | 35.361 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 323 | GLY | 0 | -0.016 | 0.006 | 38.270 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 324 | GLU | -1 | -0.868 | -0.954 | 39.872 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 325 | PRO | 0 | -0.050 | -0.006 | 38.749 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 326 | VAL | 0 | 0.015 | 0.010 | 40.281 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 327 | ASP | -1 | -0.879 | -0.928 | 41.333 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 328 | ASP | -1 | -0.775 | -0.868 | 43.285 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 329 | LYS | 1 | 0.862 | 0.930 | 44.824 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 330 | SER | 0 | -0.003 | -0.029 | 49.284 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 331 | ALA | 0 | -0.010 | -0.016 | 48.280 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 332 | THR | 0 | -0.019 | -0.020 | 47.436 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 333 | LEU | 0 | 0.007 | 0.002 | 49.297 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 334 | LEU | 0 | -0.010 | 0.003 | 52.925 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 335 | GLN | 0 | -0.007 | 0.008 | 46.156 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 336 | LEU | 0 | 0.023 | 0.013 | 49.840 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 337 | ILE | 0 | 0.005 | -0.006 | 52.101 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 338 | THR | 0 | 0.003 | -0.011 | 54.796 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 339 | LYS | 1 | 0.775 | 0.905 | 50.307 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 340 | PHE | 0 | 0.043 | 0.021 | 54.131 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 341 | ALA | 0 | 0.021 | 0.006 | 56.317 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 342 | THR | 0 | -0.005 | -0.015 | 56.065 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 343 | GLU | -1 | -0.800 | -0.887 | 52.988 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 344 | TYR | 0 | 0.025 | 0.013 | 57.195 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 345 | CYS | 0 | -0.043 | -0.023 | 60.818 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 346 | ASN | 0 | 0.027 | 0.005 | 57.174 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 347 | THR | 0 | -0.019 | -0.016 | 59.191 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 348 | ILE | 0 | -0.028 | -0.022 | 61.345 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 349 | GLU | -1 | -0.889 | -0.926 | 64.239 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 350 | GLY | 0 | -0.051 | -0.013 | 60.556 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 360 | LEU | 0 | -0.009 | -0.014 | 55.909 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 361 | CYS | 0 | -0.015 | 0.011 | 59.901 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 362 | GLY | 0 | 0.085 | 0.033 | 62.671 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 363 | GLY | 0 | 0.020 | 0.014 | 64.626 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 364 | ALA | 0 | 0.019 | 0.000 | 65.883 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 365 | ARG | 1 | 0.920 | 0.982 | 66.777 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 366 | ILE | 0 | 0.064 | 0.021 | 68.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 367 | CYS | 0 | -0.038 | -0.019 | 70.239 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 368 | TYR | 0 | -0.012 | -0.006 | 71.191 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 369 | ILE | 0 | -0.004 | -0.002 | 71.411 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 370 | PHE | 0 | 0.026 | 0.007 | 74.072 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 371 | HIS | 0 | 0.027 | -0.001 | 75.864 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 372 | GLU | -1 | -0.832 | -0.891 | 74.871 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 373 | THR | 0 | -0.095 | -0.037 | 75.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 374 | PHE | 0 | 0.033 | 0.016 | 78.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 375 | GLY | 0 | 0.042 | 0.033 | 80.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 376 | ARG | 1 | 0.851 | 0.904 | 76.111 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 377 | THR | 0 | -0.037 | -0.016 | 81.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 378 | LEU | 0 | -0.009 | -0.001 | 84.257 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 379 | GLU | -1 | -0.869 | -0.938 | 84.715 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 380 | SER | 0 | -0.046 | -0.036 | 85.767 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 381 | VAL | 0 | -0.081 | -0.021 | 88.389 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 382 | ASP | -1 | -0.754 | -0.866 | 90.687 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 383 | PRO | 0 | -0.002 | 0.003 | 94.180 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 384 | LEU | 0 | -0.016 | -0.028 | 97.236 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 385 | GLY | 0 | 0.027 | 0.035 | 96.723 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 386 | GLY | 0 | -0.050 | -0.023 | 97.781 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 387 | LEU | 0 | -0.092 | -0.035 | 100.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 388 | ASN | 0 | 0.019 | -0.005 | 102.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 389 | THR | 0 | 0.086 | 0.018 | 105.646 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 390 | ILE | 0 | 0.019 | 0.010 | 108.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 391 | ASP | -1 | -0.827 | -0.894 | 105.481 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 392 | ILE | 0 | 0.010 | 0.006 | 106.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 393 | LEU | 0 | 0.024 | -0.007 | 109.526 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 394 | THR | 0 | -0.068 | -0.031 | 111.198 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 395 | ALA | 0 | 0.016 | 0.006 | 109.331 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 396 | ILE | 0 | 0.025 | 0.020 | 111.478 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 397 | ARG | 1 | 0.872 | 0.948 | 114.403 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 398 | ASN | 0 | -0.009 | -0.016 | 113.587 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 399 | ALA | 0 | 0.014 | 0.018 | 113.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 400 | THR | 0 | -0.022 | -0.031 | 115.172 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 401 | ALA | 0 | -0.011 | -0.005 | 118.897 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 402 | ALA | 0 | 0.010 | 0.004 | 116.879 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 403 | ALA | 0 | -0.014 | 0.009 | 114.179 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 404 | ALA | 0 | -0.014 | -0.016 | 115.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 405 | ALA | 0 | -0.031 | -0.016 | 118.764 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 406 | LEU | 0 | -0.023 | 0.002 | 117.055 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 407 | PHE | 0 | -0.012 | -0.007 | 117.721 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 408 | VAL | 0 | 0.029 | 0.017 | 113.912 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 409 | PRO | 0 | 0.013 | -0.009 | 112.246 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 410 | GLU | -1 | -0.906 | -0.951 | 109.581 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 411 | VAL | 0 | 0.068 | 0.037 | 108.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 412 | SER | 0 | -0.014 | -0.016 | 109.388 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 413 | PHE | 0 | -0.016 | -0.014 | 103.028 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 414 | GLU | -1 | -0.829 | -0.905 | 104.881 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 415 | LEU | 0 | -0.034 | -0.008 | 104.255 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 416 | LEU | 0 | -0.042 | -0.020 | 104.436 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 417 | VAL | 0 | 0.017 | 0.009 | 99.691 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 418 | LYS | 1 | 0.832 | 0.914 | 99.775 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 419 | ARG | 1 | 0.858 | 0.937 | 99.762 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 420 | GLN | 0 | -0.002 | 0.001 | 97.392 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 421 | ILE | 0 | 0.041 | 0.009 | 94.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 422 | LYS | 1 | 0.966 | 0.984 | 93.717 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 423 | ARG | 1 | 0.804 | 0.889 | 92.677 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 424 | LEU | 0 | 0.010 | 0.015 | 89.642 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 425 | GLU | -1 | -0.868 | -0.906 | 88.116 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 426 | GLU | -1 | -0.875 | -0.936 | 86.216 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 427 | PRO | 0 | -0.024 | -0.020 | 84.381 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 428 | SER | 0 | -0.016 | -0.022 | 82.947 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 429 | LEU | 0 | 0.024 | 0.008 | 82.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 430 | ARG | 1 | 0.802 | 0.866 | 75.446 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 431 | CYS | 0 | -0.054 | -0.015 | 78.770 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 432 | VAL | 0 | 0.007 | 0.001 | 77.348 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 433 | GLU | -1 | -0.895 | -0.924 | 76.108 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 434 | LEU | 0 | -0.009 | -0.005 | 74.633 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 435 | VAL | 0 | 0.009 | 0.007 | 72.271 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 436 | HIS | 0 | 0.003 | -0.004 | 71.339 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 437 | GLU | -1 | -0.912 | -0.937 | 70.500 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 438 | GLU | -1 | -0.774 | -0.889 | 66.518 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 439 | MET | 0 | -0.029 | -0.009 | 66.778 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 440 | GLN | 0 | 0.062 | 0.020 | 65.980 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 441 | ARG | 1 | 0.768 | 0.880 | 62.450 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 442 | ILE | 0 | -0.022 | -0.015 | 61.908 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 443 | ILE | 0 | -0.009 | 0.010 | 60.891 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 444 | GLN | 0 | 0.035 | 0.010 | 58.456 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 445 | HIS | 0 | -0.014 | -0.013 | 57.595 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 446 | CYS | 0 | -0.065 | -0.019 | 56.077 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 447 | SER | 0 | 0.037 | 0.007 | 54.603 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 448 | ASN | 0 | -0.070 | -0.023 | 53.588 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 449 | TYR | 0 | -0.041 | -0.027 | 50.134 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 450 | SER | 0 | -0.034 | 0.000 | 50.591 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 451 | THR | 0 | -0.008 | -0.030 | 47.447 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 452 | GLN | 0 | -0.004 | -0.007 | 43.235 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 453 | GLU | -1 | -0.809 | -0.890 | 42.047 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 454 | LEU | 0 | 0.004 | 0.011 | 45.376 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 455 | LEU | 0 | -0.049 | -0.014 | 47.268 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 456 | ARG | 1 | 0.784 | 0.871 | 42.024 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 457 | PHE | 0 | 0.029 | 0.011 | 46.224 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 458 | PRO | 0 | 0.035 | 0.013 | 49.777 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 459 | LYS | 1 | 0.823 | 0.904 | 53.013 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 460 | LEU | 0 | 0.018 | 0.006 | 52.456 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 461 | HIS | 0 | -0.005 | -0.009 | 53.748 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 462 | ASP | -1 | -0.855 | -0.917 | 55.668 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 463 | ALA | 0 | 0.029 | 0.021 | 58.517 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 464 | ILE | 0 | -0.009 | -0.004 | 56.123 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 465 | VAL | 0 | -0.010 | -0.001 | 59.026 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 466 | GLU | -1 | -0.952 | -0.955 | 61.612 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 467 | VAL | 0 | 0.010 | 0.003 | 63.229 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 468 | VAL | 0 | 0.007 | -0.005 | 62.347 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 469 | THR | 0 | -0.022 | -0.031 | 65.095 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 470 | CYS | 0 | -0.050 | -0.030 | 67.358 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 471 | LEU | 0 | -0.020 | -0.010 | 66.580 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 472 | LEU | 0 | 0.000 | 0.007 | 67.476 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 473 | ARG | 1 | 0.901 | 0.949 | 71.122 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 474 | LYS | 1 | 0.824 | 0.898 | 70.880 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 475 | ARG | 1 | 0.844 | 0.921 | 73.459 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 476 | LEU | 0 | 0.012 | 0.012 | 75.223 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 477 | PRO | 0 | 0.005 | 0.018 | 77.449 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 478 | VAL | 0 | 0.062 | 0.032 | 79.585 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 479 | THR | 0 | -0.002 | -0.015 | 77.447 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 480 | ASN | 0 | -0.029 | -0.023 | 79.851 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 481 | GLU | -1 | -0.905 | -0.947 | 82.760 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 482 | MET | 0 | -0.002 | 0.019 | 83.067 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 483 | VAL | 0 | -0.012 | -0.009 | 82.301 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 484 | HIS | 0 | -0.049 | -0.035 | 85.350 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 485 | ASN | 0 | -0.046 | -0.042 | 88.314 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 486 | LEU | 0 | -0.024 | -0.015 | 85.023 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 487 | VAL | 0 | 0.015 | 0.013 | 88.861 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 488 | ALA | 0 | 0.002 | -0.009 | 91.408 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 489 | ILE | 0 | -0.014 | -0.006 | 90.996 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 490 | GLU | -1 | -0.842 | -0.913 | 92.970 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 491 | LEU | 0 | -0.068 | -0.045 | 95.098 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 492 | ALA | 0 | -0.022 | 0.014 | 97.874 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 493 | TYR | 0 | -0.018 | -0.029 | 99.165 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 494 | ILE | 0 | -0.004 | 0.009 | 99.802 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 495 | ASN | 0 | 0.021 | 0.021 | 98.358 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 496 | THR | 0 | 0.061 | 0.026 | 101.275 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 497 | LYS | 1 | 0.898 | 0.942 | 102.463 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 498 | HIS | 0 | 0.037 | 0.027 | 93.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 499 | PRO | 0 | -0.007 | -0.004 | 96.039 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 500 | ASP | -1 | -0.810 | -0.907 | 93.813 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 501 | PHE | 0 | -0.009 | -0.001 | 97.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 502 | ALA | 0 | 0.000 | -0.003 | 100.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 503 | ASP | -1 | -0.943 | -0.962 | 97.220 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 504 | ALA | 0 | 0.043 | 0.016 | 97.402 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 505 | CYS | 0 | -0.076 | -0.034 | 99.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 506 | GLY | 0 | -0.018 | 0.014 | 102.160 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 507 | LEU | 0 | -0.024 | -0.011 | 103.507 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 616 | ARG | 1 | 0.913 | 0.936 | 114.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 617 | ASP | -1 | -0.855 | -0.927 | 113.947 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 618 | CYS | 0 | 0.019 | -0.002 | 110.639 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 619 | GLU | -1 | -0.887 | -0.934 | 109.721 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 620 | VAL | 0 | -0.031 | -0.013 | 108.824 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 621 | ILE | 0 | 0.024 | 0.017 | 107.813 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 622 | GLU | -1 | -0.795 | -0.900 | 104.587 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 623 | ARG | 1 | 0.846 | 0.927 | 104.039 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 624 | LEU | 0 | 0.014 | 0.008 | 103.341 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 625 | ILE | 0 | -0.004 | -0.011 | 101.150 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 626 | LYS | 1 | 0.799 | 0.880 | 99.479 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 627 | SER | 0 | 0.002 | 0.018 | 98.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 628 | TYR | 0 | 0.009 | -0.018 | 97.999 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 629 | PHE | 0 | -0.010 | -0.007 | 93.300 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 630 | LEU | 0 | 0.025 | 0.024 | 92.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 631 | ILE | 0 | -0.028 | -0.019 | 92.928 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 632 | VAL | 0 | 0.035 | 0.014 | 92.788 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 633 | ARG | 1 | 0.799 | 0.903 | 88.016 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 634 | LYS | 1 | 0.875 | 0.930 | 88.734 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 635 | ASN | 0 | -0.037 | -0.020 | 87.836 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 636 | ILE | 0 | 0.014 | 0.008 | 86.883 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 637 | GLN | 0 | -0.013 | -0.016 | 84.499 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 638 | ASP | -1 | -0.810 | -0.880 | 82.128 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 639 | SER | 0 | -0.040 | -0.038 | 82.255 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 640 | VAL | 0 | 0.004 | 0.010 | 81.299 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 641 | PRO | 0 | 0.000 | -0.004 | 78.046 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 642 | LYS | 1 | 0.818 | 0.894 | 77.855 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 643 | ALA | 0 | 0.003 | 0.014 | 78.891 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 644 | VAL | 0 | 0.043 | 0.021 | 75.403 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 645 | MET | 0 | 0.007 | 0.001 | 71.027 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 646 | HIS | 0 | -0.027 | 0.006 | 74.398 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 647 | PHE | 0 | -0.004 | -0.011 | 75.752 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 648 | LEU | 0 | 0.022 | 0.012 | 72.783 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 649 | VAL | 0 | 0.017 | -0.011 | 69.753 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 650 | ASN | 0 | -0.022 | -0.032 | 69.899 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 651 | HIS | 0 | 0.064 | 0.040 | 70.451 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 652 | VAL | 0 | -0.017 | -0.007 | 67.414 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 653 | LYS | 1 | 0.804 | 0.904 | 65.535 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 654 | ASP | -1 | -0.887 | -0.942 | 65.700 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 655 | THR | 0 | -0.060 | -0.046 | 66.860 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 656 | LEU | 0 | -0.013 | 0.008 | 62.080 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 657 | GLN | 0 | 0.013 | -0.012 | 59.025 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 658 | SER | 0 | -0.032 | 0.001 | 61.956 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 659 | GLU | -1 | -0.773 | -0.886 | 64.462 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 660 | LEU | 0 | 0.004 | 0.025 | 59.582 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 661 | VAL | 0 | 0.032 | 0.017 | 59.048 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 662 | GLY | 0 | 0.005 | 0.002 | 61.207 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 663 | GLN | 0 | -0.086 | -0.061 | 64.219 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 664 | LEU | 0 | 0.076 | 0.039 | 58.724 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 665 | TYR | 0 | -0.061 | -0.014 | 54.386 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 666 | LYS | 1 | 0.839 | 0.911 | 58.999 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 667 | SER | 0 | 0.050 | 0.013 | 56.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 668 | SER | 0 | -0.038 | -0.030 | 57.262 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 669 | LEU | 0 | 0.021 | 0.021 | 58.189 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 670 | LEU | 0 | -0.008 | -0.006 | 52.517 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 671 | ASP | -1 | -0.892 | -0.931 | 52.027 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 672 | ASP | -1 | -0.852 | -0.909 | 52.428 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 673 | LEU | 0 | 0.024 | 0.009 | 53.918 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 674 | LEU | 0 | -0.019 | -0.013 | 49.090 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 675 | THR | 0 | -0.050 | -0.026 | 48.682 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 676 | GLU | -1 | -0.795 | -0.878 | 42.726 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 677 | SER | 0 | 0.003 | -0.014 | 46.975 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 678 | GLU | -1 | -0.893 | -0.961 | 45.112 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 679 | ASP | -1 | -0.781 | -0.872 | 43.393 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 680 | MET | 0 | -0.067 | -0.030 | 42.054 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 681 | ALA | 0 | 0.010 | 0.021 | 41.125 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 682 | GLN | 0 | -0.070 | -0.034 | 38.310 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 683 | ARG | 1 | 0.906 | 0.956 | 36.683 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 684 | ARG | 1 | 0.777 | 0.865 | 35.638 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 685 | LYS | 1 | 0.822 | 0.905 | 34.808 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 686 | GLU | -1 | -0.833 | -0.909 | 32.534 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 687 | ALA | 0 | -0.020 | -0.012 | 30.864 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 688 | ALA | 0 | 0.022 | 0.011 | 29.973 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 689 | ASP | -1 | -0.891 | -0.952 | 28.766 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 690 | MET | 0 | -0.021 | 0.000 | 23.867 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 691 | LEU | 0 | 0.003 | 0.007 | 25.065 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 692 | LYS | 1 | 0.906 | 0.960 | 23.648 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 693 | ALA | 0 | -0.020 | -0.002 | 22.307 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 694 | LEU | 0 | -0.010 | -0.004 | 20.838 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 695 | GLN | 0 | -0.009 | -0.021 | 20.164 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 696 | GLY | 0 | -0.023 | -0.005 | 19.685 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 697 | ALA | 0 | 0.035 | 0.008 | 16.428 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 698 | SER | 0 | 0.002 | -0.009 | 15.248 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 699 | GLN | 0 | -0.046 | -0.014 | 15.307 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 700 | ILE | 0 | -0.010 | -0.001 | 11.997 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 701 | ILE | 0 | -0.052 | -0.020 | 10.269 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 702 | ALA | 0 | -0.007 | -0.007 | 11.845 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 703 | GLU | -1 | -0.937 | -0.943 | 6.638 | -2.168 | -2.168 | 0.000 | 0.000 | 0.000 | 0.000 |