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: NZ94Q
Calculation Name: 2ORY-A-Xray540
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 2ORY
Chain ID: A
UniProt ID: Q5DRN8
Base Structure: X-ray
Registration Date: 2025-07-14
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptH |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Structure Preparation |
| Water | No |
| Procedure | Auto-FMO protocol ver. 2.20220422 |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 638 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -5535864.561889 |
|---|---|
| FMO2-HF: Nuclear repulsion | 5402518.923155 |
| FMO2-HF: Total energy | -133345.638734 |
| FMO2-MP2: Total energy | -133731.177033 |
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:2:SER)
Summations of interaction energy for
fragment #1(A:2:SER)
| 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. |
| -9.167 | -6.521 | 0.016 | -1.409 | -1.252 | -0.004 |
Interaction energy analysis for fragmet #1(A:2:SER)
| 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]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 4 | A | 3 | TYR | 0 | -0.117 | 0.080 | 3.832 | -0.081 | 0.285 | 0.000 | -0.076 | -0.289 | 0.000 |
| 5 | A | 4 | THR | 0 | 0.074 | -0.070 | 3.841 | 2.400 | 3.421 | -0.011 | -0.503 | -0.508 | 0.002 |
| 6 | A | 4 | THR | 0 | -0.031 | 0.065 | 6.179 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 5 | LYS | 0 | 0.164 | -0.049 | 6.499 | -0.681 | -0.681 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 5 | LYS | 1 | 0.843 | 1.056 | 9.603 | -0.627 | -0.627 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 6 | GLU | 0 | 0.012 | -0.159 | 9.114 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 6 | GLU | -1 | -0.886 | -0.808 | 10.879 | 0.934 | 0.934 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 7 | GLN | 0 | 0.085 | -0.120 | 8.398 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 7 | GLN | 0 | -0.014 | 0.149 | 6.144 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 8 | LEU | 0 | 0.155 | -0.092 | 8.787 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 8 | LEU | 0 | -0.106 | 0.125 | 7.852 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 9 | MET | 0 | 0.019 | -0.122 | 9.547 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 9 | MET | 0 | -0.123 | 0.113 | 12.438 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 10 | LEU | 0 | 0.083 | -0.117 | 12.613 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 10 | LEU | 0 | -0.038 | 0.132 | 12.695 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 11 | ALA | 0 | 0.083 | -0.107 | 12.203 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 11 | ALA | 0 | -0.012 | 0.139 | 11.427 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 12 | PHE | 0 | 0.076 | -0.109 | 13.503 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 12 | PHE | 0 | -0.069 | 0.106 | 11.978 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 13 | SER | 0 | 0.029 | -0.106 | 15.591 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 13 | SER | 0 | -0.054 | 0.077 | 17.130 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 14 | TYR | 0 | 0.039 | -0.108 | 17.025 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 14 | TYR | 0 | -0.115 | 0.065 | 16.905 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 15 | MET | 0 | 0.135 | -0.099 | 17.466 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 15 | MET | 0 | -0.069 | 0.142 | 16.939 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 16 | SER | 0 | -0.062 | -0.157 | 18.873 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 16 | SER | 0 | -0.042 | 0.084 | 19.910 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 17 | TYR | 0 | -0.019 | -0.122 | 21.689 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 17 | TYR | 0 | -0.096 | 0.073 | 21.726 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 18 | TYR | 0 | 0.118 | -0.097 | 22.950 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 18 | TYR | 0 | -0.107 | 0.095 | 19.682 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 19 | GLY | 0 | 0.039 | -0.133 | 24.434 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 20 | ILE | 0 | -0.014 | -0.037 | 27.460 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 20 | ILE | 0 | -0.071 | 0.130 | 27.043 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 21 | THR | 0 | -0.001 | -0.120 | 28.960 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 21 | THR | 0 | 0.014 | 0.109 | 30.379 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 22 | HIS | 0 | 0.126 | -0.083 | 31.710 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 22 | HIS | 0 | -0.156 | 0.116 | 28.999 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 23 | THR | 0 | -0.036 | -0.104 | 32.988 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 23 | THR | 0 | 0.029 | 0.087 | 36.134 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 24 | GLY | 0 | -0.009 | -0.108 | 36.667 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 25 | SER | 0 | 0.046 | 0.009 | 39.680 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 25 | SER | 0 | -0.013 | 0.093 | 42.012 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 26 | ALA | 0 | 0.071 | -0.100 | 37.965 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 26 | ALA | 0 | -0.020 | 0.140 | 37.243 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 27 | LYS | 0 | 0.055 | -0.087 | 35.125 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 27 | LYS | 1 | 0.762 | 0.980 | 35.128 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 28 | LYS | 0 | 0.097 | -0.106 | 34.986 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 28 | LYS | 1 | 0.813 | 1.043 | 37.397 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 29 | ASN | 0 | -0.003 | -0.101 | 33.390 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 29 | ASN | 0 | -0.087 | 0.098 | 32.701 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 30 | ALA | 0 | 0.229 | -0.078 | 29.791 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 30 | ALA | 0 | -0.033 | 0.131 | 29.688 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 31 | GLU | 0 | 0.043 | -0.132 | 28.684 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 31 | GLU | -1 | -0.970 | -0.816 | 31.949 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 32 | LEU | 0 | 0.089 | -0.107 | 29.043 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 32 | LEU | 0 | -0.089 | 0.114 | 28.058 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 33 | ILE | 0 | 0.064 | -0.111 | 26.258 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 33 | ILE | 0 | -0.062 | 0.098 | 24.794 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 34 | LEU | 0 | 0.170 | -0.068 | 24.612 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 34 | LEU | 0 | -0.112 | 0.095 | 24.097 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 35 | LYS | 0 | 0.077 | -0.105 | 24.000 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 35 | LYS | 1 | 0.859 | 1.067 | 26.216 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 36 | LYS | 0 | 0.020 | -0.112 | 23.599 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 36 | LYS | 1 | 0.905 | 1.087 | 23.256 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 37 | MET | 0 | 0.124 | -0.087 | 20.220 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 37 | MET | 0 | -0.122 | 0.079 | 20.350 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 38 | LYS | 0 | 0.087 | -0.073 | 19.108 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 38 | LYS | 1 | 0.852 | 1.051 | 21.990 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 39 | GLU | 0 | 0.106 | -0.125 | 19.453 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 39 | GLU | -1 | -1.020 | -0.840 | 20.225 | -0.404 | -0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 40 | ALA | 0 | 0.065 | -0.087 | 17.467 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 40 | ALA | 0 | -0.026 | 0.105 | 16.966 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 41 | LEU | 0 | 0.032 | -0.130 | 14.771 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 41 | LEU | 0 | -0.107 | 0.092 | 14.678 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 42 | LYS | 0 | 0.155 | -0.060 | 14.637 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 42 | LYS | 1 | 0.790 | 1.044 | 17.778 | 0.471 | 0.471 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 43 | THR | 0 | -0.040 | -0.116 | 15.177 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 43 | THR | 0 | -0.066 | 0.059 | 16.462 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 44 | TRP | 0 | 0.134 | -0.058 | 13.063 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 44 | TRP | 0 | -0.083 | 0.081 | 12.567 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 45 | LYS | 0 | 0.051 | -0.087 | 8.861 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 45 | LYS | 1 | 0.913 | 1.058 | 7.898 | 1.914 | 1.914 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 46 | PRO | 0 | -0.019 | -0.090 | 7.102 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 47 | PHE | 0 | -0.025 | -0.020 | 7.972 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 47 | PHE | 0 | -0.085 | 0.073 | 10.974 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 48 | GLN | 0 | 0.108 | -0.071 | 9.387 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 48 | GLN | 0 | -0.087 | 0.084 | 9.327 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 49 | GLU | 0 | 0.061 | -0.116 | 6.158 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 49 | GLU | -1 | -0.953 | -0.826 | 3.669 | -8.837 | -7.578 | 0.027 | -0.830 | -0.455 | -0.006 |
| 94 | A | 50 | ASP | 0 | -0.004 | -0.070 | 7.665 | 0.291 | 0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 50 | ASP | -1 | -0.951 | -0.905 | 7.989 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 51 | ASP | 0 | 0.197 | -0.066 | 10.427 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 51 | ASP | -1 | -1.095 | -0.867 | 14.817 | -0.377 | -0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 52 | TRP | 0 | 0.089 | -0.108 | 14.100 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 52 | TRP | 0 | -0.039 | 0.108 | 9.733 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 53 | GLU | 0 | 0.130 | -0.113 | 15.406 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 53 | GLU | -1 | -1.027 | -0.855 | 19.511 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 54 | VAL | 0 | 0.034 | -0.106 | 19.124 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 54 | VAL | 0 | -0.068 | 0.097 | 20.215 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 55 | VAL | 0 | 0.047 | -0.105 | 21.284 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 55 | VAL | 0 | -0.074 | 0.117 | 21.423 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 56 | TRP | 0 | 0.075 | -0.149 | 23.672 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 56 | TRP | 0 | -0.121 | 0.103 | 25.061 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 57 | GLY | 0 | -0.047 | -0.064 | 24.717 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 58 | PRO | 0 | 0.013 | -0.026 | 24.881 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 59 | ALA | 0 | 0.114 | -0.018 | 26.745 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 59 | ALA | 0 | -0.068 | 0.128 | 29.393 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 60 | VAL | 0 | 0.016 | -0.122 | 29.343 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 60 | VAL | 0 | -0.071 | 0.103 | 29.353 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 61 | TYR | 0 | 0.095 | -0.112 | 31.364 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 61 | TYR | 0 | -0.115 | 0.088 | 33.351 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 62 | THR | 0 | 0.003 | -0.089 | 33.803 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 62 | THR | 0 | -0.010 | 0.044 | 33.276 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 63 | MET | 0 | -0.008 | -0.115 | 36.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 63 | MET | 0 | -0.043 | 0.127 | 39.250 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 64 | PRO | 0 | -0.009 | -0.109 | 39.715 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 65 | PHE | 0 | 0.037 | -0.019 | 41.666 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 65 | PHE | 0 | -0.052 | 0.116 | 44.456 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 66 | THR | 0 | 0.142 | -0.056 | 40.467 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 66 | THR | 0 | -0.067 | 0.064 | 39.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 67 | ILE | 0 | 0.055 | -0.120 | 36.221 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 67 | ILE | 0 | 0.021 | 0.143 | 34.711 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 68 | PHE | 0 | 0.014 | -0.117 | 34.933 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 68 | PHE | 0 | 0.001 | 0.149 | 36.780 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 69 | ASN | 0 | 0.014 | -0.072 | 35.019 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 69 | ASN | 0 | -0.114 | 0.045 | 36.553 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 70 | ASP | 0 | 0.196 | -0.077 | 32.956 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 70 | ASP | -1 | -0.897 | -0.794 | 32.083 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 71 | ALA | 0 | 0.097 | -0.132 | 29.823 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 71 | ALA | 0 | -0.079 | 0.132 | 30.241 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 72 | MET | 0 | 0.010 | -0.129 | 27.389 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 72 | MET | 0 | -0.135 | 0.099 | 23.302 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 73 | MET | 0 | 0.150 | -0.067 | 24.945 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 73 | MET | 0 | -0.123 | 0.098 | 24.703 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 74 | TYR | 0 | 0.046 | -0.082 | 23.307 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 74 | TYR | 0 | -0.040 | 0.075 | 18.673 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 75 | VAL | 0 | 0.114 | -0.113 | 21.111 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 75 | VAL | 0 | -0.106 | 0.091 | 21.093 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 76 | ILE | 0 | 0.062 | -0.106 | 17.272 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 76 | ILE | 0 | -0.047 | 0.127 | 15.679 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 77 | GLN | 0 | 0.098 | -0.076 | 17.871 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 77 | GLN | 0 | -0.022 | 0.137 | 18.747 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 78 | LYS | 0 | 0.106 | -0.092 | 14.144 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 78 | LYS | 1 | 0.800 | 1.069 | 9.470 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 79 | LYS | 0 | -0.020 | -0.163 | 15.174 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 79 | LYS | 1 | 0.913 | 1.096 | 16.005 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 80 | GLY | 0 | -0.015 | -0.084 | 15.640 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 81 | ALA | 0 | 0.131 | -0.007 | 15.465 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 81 | ALA | 0 | -0.111 | 0.099 | 14.559 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 82 | GLU | 0 | 0.027 | -0.175 | 16.679 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 82 | GLU | -1 | -1.009 | -0.808 | 20.716 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 83 | GLY | 0 | -0.027 | -0.121 | 19.451 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 84 | GLU | 0 | 0.099 | -0.003 | 16.033 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 84 | GLU | -1 | -0.976 | -0.852 | 12.720 | 0.349 | 0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 85 | TYR | 0 | 0.090 | -0.100 | 17.115 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 85 | TYR | 0 | -0.099 | 0.088 | 19.716 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 86 | VAL | 0 | 0.088 | -0.088 | 16.361 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 86 | VAL | 0 | -0.028 | 0.114 | 14.232 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 87 | ILE | 0 | 0.046 | -0.094 | 17.509 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 87 | ILE | 0 | -0.062 | 0.091 | 21.527 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 88 | ALA | 0 | 0.123 | -0.086 | 19.700 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 88 | ALA | 0 | -0.057 | 0.121 | 18.651 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 89 | ILE | 0 | 0.024 | -0.102 | 20.583 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 89 | ILE | 0 | -0.084 | 0.074 | 23.786 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 90 | ARG | 0 | 0.134 | -0.109 | 23.185 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 90 | ARG | 1 | 0.774 | 1.058 | 24.167 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 91 | GLY | 0 | -0.040 | -0.107 | 25.329 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 92 | THR | 0 | 0.049 | -0.003 | 28.698 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 92 | THR | 0 | -0.036 | 0.076 | 31.993 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 93 | ASN | 0 | 0.136 | -0.087 | 28.909 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 93 | ASN | 0 | -0.069 | 0.108 | 29.190 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 94 | PRO | 0 | -0.010 | -0.087 | 25.312 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 95 | VAL | 0 | 0.081 | -0.023 | 28.429 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 95 | VAL | 0 | -0.012 | 0.152 | 27.631 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 96 | SER | 0 | 0.018 | -0.069 | 29.672 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 96 | SER | 0 | -0.043 | 0.078 | 33.864 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 97 | ILE | 0 | 0.114 | -0.079 | 31.996 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 97 | ILE | 0 | -0.035 | 0.099 | 28.792 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 98 | SER | 0 | 0.037 | -0.071 | 32.790 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 98 | SER | 0 | -0.002 | 0.074 | 36.774 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 99 | ASP | 0 | 0.096 | -0.100 | 36.204 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 99 | ASP | -1 | -1.025 | -0.857 | 36.647 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 100 | TRP | 0 | 0.060 | -0.080 | 34.351 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 100 | TRP | 0 | -0.103 | 0.076 | 29.289 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 101 | LEU | 0 | 0.119 | -0.085 | 33.786 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 101 | LEU | 0 | -0.122 | 0.086 | 31.747 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 102 | PHE | 0 | 0.081 | -0.133 | 34.955 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 102 | PHE | 0 | -0.075 | 0.068 | 34.767 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 103 | ASN | 0 | -0.013 | -0.069 | 37.985 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 103 | ASN | 0 | -0.125 | 0.037 | 39.739 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 104 | ASP | 0 | 0.164 | -0.093 | 38.130 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 104 | ASP | -1 | -0.910 | -0.773 | 36.801 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 105 | PHE | 0 | 0.114 | -0.117 | 39.458 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 105 | PHE | 0 | -0.071 | 0.111 | 43.396 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 106 | MET | 0 | 0.039 | -0.064 | 40.382 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 106 | MET | 0 | -0.100 | 0.091 | 39.344 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 107 | VAL | 0 | 0.079 | -0.130 | 39.064 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 107 | VAL | 0 | -0.022 | 0.140 | 37.020 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 108 | SER | 0 | 0.031 | -0.094 | 40.029 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 108 | SER | 0 | 0.002 | 0.113 | 44.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 109 | ALA | 0 | 0.017 | -0.125 | 43.094 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 109 | ALA | 0 | -0.006 | 0.139 | 44.141 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 110 | MET | 0 | 0.003 | -0.124 | 41.235 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 110 | MET | 0 | -0.094 | 0.085 | 38.738 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 111 | LYS | 0 | 0.074 | -0.118 | 40.557 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 111 | LYS | 1 | 0.862 | 1.080 | 40.398 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 112 | LYS | 0 | 0.088 | -0.076 | 40.020 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 112 | LYS | 1 | 0.886 | 1.067 | 42.152 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 113 | TRP | 0 | 0.074 | -0.149 | 37.209 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 113 | TRP | 0 | -0.134 | 0.107 | 31.828 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 114 | PRO | 0 | -0.126 | -0.173 | 37.132 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 115 | TYR | 0 | -0.017 | -0.021 | 35.714 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 115 | TYR | 0 | -0.046 | 0.107 | 34.753 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 116 | ALA | 0 | 0.205 | -0.066 | 36.436 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 116 | ALA | 0 | -0.002 | 0.172 | 35.838 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 117 | SER | 0 | -0.061 | -0.127 | 37.772 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 117 | SER | 0 | -0.030 | 0.081 | 41.323 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 118 | VAL | 0 | 0.065 | -0.106 | 39.463 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 118 | VAL | 0 | -0.047 | 0.115 | 37.327 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 119 | GLU | 0 | 0.111 | -0.119 | 40.591 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 119 | GLU | -1 | -0.988 | -0.812 | 43.150 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 120 | GLY | 0 | 0.039 | -0.086 | 43.287 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 121 | ARG | 0 | 0.014 | -0.025 | 41.007 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 121 | ARG | 1 | 0.879 | 1.074 | 39.756 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 122 | ILE | 0 | 0.038 | -0.110 | 41.998 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 122 | ILE | 0 | -0.154 | 0.067 | 42.976 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 123 | LEU | 0 | 0.116 | -0.120 | 38.193 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 123 | LEU | 0 | -0.032 | 0.164 | 36.021 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 124 | LYS | 0 | 0.032 | -0.109 | 38.421 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 124 | LYS | 1 | 0.877 | 1.051 | 40.397 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 125 | ILE | 0 | 0.122 | -0.096 | 36.061 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 125 | ILE | 0 | -0.034 | 0.139 | 34.370 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 126 | SER | 0 | 0.017 | -0.078 | 36.383 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 126 | SER | 0 | 0.052 | 0.105 | 35.757 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 127 | GLU | 0 | 0.084 | -0.130 | 37.510 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 127 | GLU | -1 | -0.976 | -0.826 | 41.145 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 128 | SER | 0 | 0.029 | -0.067 | 36.997 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 128 | SER | 0 | -0.093 | 0.023 | 36.293 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 129 | THR | 0 | -0.021 | -0.096 | 33.491 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 129 | THR | 0 | 0.005 | 0.096 | 32.261 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 130 | SER | 0 | 0.064 | -0.047 | 34.132 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 130 | SER | 0 | -0.056 | 0.055 | 37.933 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 131 | TYR | 0 | -0.032 | -0.140 | 36.417 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 131 | TYR | 0 | -0.052 | 0.098 | 38.035 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 132 | GLY | 0 | 0.063 | -0.069 | 33.205 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 133 | LEU | 0 | 0.184 | 0.023 | 31.707 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 133 | LEU | 0 | -0.092 | 0.111 | 30.584 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 134 | LYS | 0 | 0.074 | -0.097 | 32.754 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 134 | LYS | 1 | 0.786 | 1.039 | 35.846 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 135 | THR | 0 | -0.019 | -0.119 | 34.936 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 135 | THR | 0 | -0.068 | 0.057 | 33.635 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 136 | LEU | 0 | 0.003 | -0.109 | 30.361 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 136 | LEU | 0 | -0.001 | 0.117 | 27.925 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 137 | GLN | 0 | 0.071 | -0.088 | 31.307 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 137 | GLN | 0 | -0.089 | 0.069 | 32.663 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 138 | LYS | 0 | 0.044 | -0.102 | 33.240 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 138 | LYS | 1 | 0.797 | 1.037 | 36.700 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 139 | LEU | 0 | 0.053 | -0.121 | 32.194 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 139 | LEU | 0 | -0.080 | 0.124 | 30.166 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 140 | LYS | 0 | 0.058 | -0.099 | 32.971 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 140 | LYS | 1 | 0.865 | 1.069 | 34.815 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 141 | PRO | 0 | -0.026 | -0.077 | 29.650 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 142 | LYS | 0 | 0.092 | 0.037 | 31.987 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 142 | LYS | 1 | 0.874 | 1.037 | 34.518 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 143 | SER | 0 | 0.147 | -0.061 | 33.623 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 143 | SER | 0 | -0.023 | 0.078 | 36.727 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 144 | HIS | 0 | -0.033 | -0.113 | 33.490 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 144 | HIS | 0 | -0.060 | 0.111 | 33.490 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 145 | ILE | 0 | 0.071 | -0.106 | 29.876 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 145 | ILE | 0 | -0.092 | 0.099 | 28.639 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 146 | PRO | 0 | 0.017 | -0.071 | 25.618 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 147 | GLY | 0 | 0.050 | -0.001 | 28.340 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 148 | GLU | 0 | 0.100 | -0.048 | 29.670 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 148 | GLU | -1 | -0.976 | -0.800 | 33.040 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 149 | ASN | 0 | -0.032 | -0.116 | 33.021 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 149 | ASN | 0 | -0.114 | 0.070 | 36.623 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 150 | LYS | 0 | 0.146 | -0.125 | 33.007 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 150 | LYS | 1 | 0.827 | 1.098 | 32.117 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 151 | THR | 0 | 0.051 | -0.043 | 32.291 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 151 | THR | 0 | -0.009 | 0.039 | 33.456 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 152 | ILE | 0 | 0.103 | -0.082 | 28.808 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 152 | ILE | 0 | -0.012 | 0.131 | 25.482 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 153 | LEU | 0 | 0.095 | -0.087 | 29.167 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 153 | LEU | 0 | -0.116 | 0.087 | 31.223 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 154 | GLN | 0 | 0.081 | -0.103 | 31.260 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 154 | GLN | 0 | -0.068 | 0.089 | 33.654 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 155 | PHE | 0 | 0.142 | -0.065 | 29.101 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 155 | PHE | 0 | -0.080 | 0.085 | 24.586 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 156 | LEU | 0 | 0.044 | -0.087 | 27.062 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 156 | LEU | 0 | -0.075 | 0.088 | 24.653 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 157 | ASN | 0 | 0.117 | -0.040 | 27.959 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 157 | ASN | 0 | -0.160 | 0.027 | 32.210 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 158 | GLU | 0 | 0.104 | -0.087 | 31.028 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 158 | GLU | -1 | -0.986 | -0.854 | 31.181 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 159 | LYS | 0 | 0.082 | -0.119 | 26.913 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 159 | LYS | 1 | 0.683 | 0.984 | 23.238 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 160 | ILE | 0 | 0.017 | -0.122 | 26.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 160 | ILE | 0 | -0.087 | 0.102 | 23.937 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 161 | GLY | 0 | 0.018 | -0.070 | 27.393 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 162 | PRO | 0 | -0.015 | -0.042 | 30.490 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 163 | GLU | 0 | 0.099 | -0.003 | 31.540 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 163 | GLU | -1 | -1.001 | -0.833 | 32.283 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 164 | GLY | 0 | 0.021 | -0.073 | 27.935 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 165 | LYS | 0 | 0.212 | 0.034 | 25.006 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 165 | LYS | 1 | 0.838 | 1.077 | 21.881 | -0.291 | -0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 166 | ALA | 0 | -0.001 | -0.110 | 21.496 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 166 | ALA | 0 | -0.078 | 0.073 | 21.851 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 167 | LYS | 0 | 0.169 | -0.071 | 17.971 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 167 | LYS | 1 | 0.807 | 1.073 | 13.496 | -0.606 | -0.606 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 168 | ILE | 0 | 0.043 | -0.110 | 18.888 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 168 | ILE | 0 | -0.060 | 0.095 | 20.593 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 169 | CYS | 0 | 0.107 | -0.087 | 16.303 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 169 | CYS | 0 | -0.125 | 0.094 | 15.862 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 170 | VAL | 0 | 0.089 | -0.108 | 17.806 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 170 | VAL | 0 | -0.113 | 0.113 | 21.675 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 171 | THR | 0 | -0.013 | -0.088 | 17.561 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 171 | THR | 0 | -0.026 | 0.050 | 16.329 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 172 | GLY | 0 | 0.085 | -0.077 | 19.053 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 173 | HIS | 0 | 0.082 | 0.027 | 20.898 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 173 | HIS | 0 | 0.015 | 0.126 | 20.252 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 174 | SER | 0 | 0.040 | -0.041 | 22.019 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 174 | SER | 0 | -0.060 | 0.028 | 25.246 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 175 | LYS | 0 | 0.068 | -0.097 | 25.503 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 175 | LYS | 1 | 0.851 | 1.070 | 28.728 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 176 | GLY | 0 | 0.002 | -0.092 | 24.424 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 177 | GLY | 0 | 0.044 | 0.040 | 22.965 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 178 | ALA | 0 | 0.176 | -0.020 | 23.931 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 178 | ALA | 0 | -0.100 | 0.131 | 28.556 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 179 | LEU | 0 | -0.029 | -0.126 | 27.237 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 179 | LEU | 0 | -0.067 | 0.102 | 27.096 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 180 | SER | 0 | 0.058 | -0.082 | 22.947 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 180 | SER | 0 | -0.010 | 0.090 | 22.253 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 181 | SER | 0 | 0.071 | -0.068 | 24.106 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 181 | SER | 0 | -0.022 | 0.095 | 23.975 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 182 | THR | 0 | 0.025 | -0.084 | 24.873 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 182 | THR | 0 | -0.109 | 0.012 | 28.956 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 183 | LEU | 0 | 0.062 | -0.108 | 27.144 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 183 | LEU | 0 | -0.091 | 0.094 | 25.332 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 184 | ALA | 0 | 0.060 | -0.104 | 24.269 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 184 | ALA | 0 | 0.005 | 0.121 | 23.548 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 185 | LEU | 0 | 0.091 | -0.112 | 25.499 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 185 | LEU | 0 | -0.081 | 0.117 | 28.437 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 186 | TRP | 0 | 0.061 | -0.067 | 28.427 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 186 | TRP | 0 | -0.114 | 0.047 | 29.565 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 187 | LEU | 0 | 0.037 | -0.117 | 27.446 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 187 | LEU | 0 | -0.075 | 0.080 | 25.268 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 188 | LYS | 0 | 0.112 | -0.094 | 28.135 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 188 | LYS | 1 | 0.869 | 1.078 | 25.171 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 189 | ASP | 0 | 0.070 | -0.094 | 28.769 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 189 | ASP | -1 | -0.838 | -0.748 | 32.843 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 190 | ILE | 0 | 0.081 | -0.059 | 31.936 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 190 | ILE | 0 | -0.187 | 0.040 | 31.652 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 191 | GLN | 0 | 0.084 | -0.112 | 30.503 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 191 | GLN | 0 | -0.089 | 0.079 | 26.494 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 192 | GLY | 0 | -0.001 | -0.082 | 31.712 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 193 | VAL | 0 | 0.060 | -0.018 | 34.289 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 193 | VAL | 0 | -0.128 | 0.075 | 36.311 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 194 | LYS | 0 | -0.010 | -0.087 | 34.790 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 194 | LYS | 1 | 0.856 | 1.025 | 34.763 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 195 | LEU | 0 | 0.139 | -0.086 | 30.588 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 195 | LEU | 0 | -0.098 | 0.105 | 27.582 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 196 | SER | 0 | 0.185 | -0.016 | 29.382 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 196 | SER | 0 | -0.073 | 0.049 | 28.417 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 197 | GLN | 0 | 0.093 | -0.104 | 28.829 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 197 | GLN | 0 | -0.052 | 0.125 | 29.486 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 198 | ASN | 0 | 0.009 | -0.083 | 27.251 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 198 | ASN | 0 | -0.172 | 0.031 | 26.956 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 199 | ILE | 0 | 0.136 | -0.097 | 23.848 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 199 | ILE | 0 | -0.156 | 0.087 | 22.733 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 200 | ASP | 0 | 0.177 | -0.109 | 20.948 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 200 | ASP | -1 | -1.045 | -0.839 | 20.281 | 0.362 | 0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 201 | ILE | 0 | 0.022 | -0.135 | 20.610 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 201 | ILE | 0 | -0.103 | 0.105 | 22.805 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 202 | SER | 0 | 0.037 | -0.095 | 18.500 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 202 | SER | 0 | -0.035 | 0.091 | 17.656 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 203 | THR | 0 | -0.055 | -0.110 | 19.207 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 203 | THR | 0 | -0.059 | 0.038 | 20.809 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 204 | ILE | 0 | 0.096 | -0.092 | 16.306 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 204 | ILE | 0 | -0.073 | 0.111 | 13.780 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 205 | PRO | 0 | -0.058 | -0.085 | 17.859 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 206 | PHE | 0 | 0.102 | -0.009 | 19.460 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 206 | PHE | 0 | -0.020 | 0.106 | 14.388 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 207 | ALA | 0 | 0.060 | -0.120 | 20.414 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 207 | ALA | 0 | -0.093 | 0.109 | 22.235 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 208 | GLY | 0 | 0.031 | -0.091 | 23.371 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 209 | PRO | 0 | -0.036 | -0.012 | 26.008 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 210 | THR | 0 | 0.073 | -0.008 | 29.311 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 210 | THR | 0 | -0.080 | 0.086 | 31.328 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 211 | ALA | 0 | 0.113 | -0.115 | 30.819 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 211 | ALA | 0 | -0.027 | 0.161 | 30.384 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 212 | GLY | 0 | -0.033 | -0.120 | 32.231 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 213 | ASN | 0 | 0.074 | 0.056 | 35.019 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 213 | ASN | 0 | -0.100 | 0.041 | 37.935 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 214 | ALA | 0 | 0.144 | -0.069 | 35.460 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 214 | ALA | 0 | -0.093 | 0.076 | 37.192 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 215 | ASP | 0 | 0.160 | -0.064 | 35.437 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 215 | ASP | -1 | -0.979 | -0.850 | 38.914 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 216 | PHE | 0 | 0.087 | -0.060 | 35.093 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 216 | PHE | 0 | -0.103 | 0.041 | 30.891 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 217 | ALA | 0 | 0.109 | -0.088 | 31.411 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 217 | ALA | 0 | -0.107 | 0.085 | 31.484 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 218 | ASP | 0 | 0.132 | -0.074 | 31.031 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 218 | ASP | -1 | -0.957 | -0.822 | 33.895 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 219 | TYR | 0 | 0.121 | -0.073 | 32.340 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 219 | TYR | 0 | -0.172 | -0.001 | 33.087 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 220 | PHE | 0 | 0.111 | -0.080 | 29.517 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 220 | PHE | 0 | -0.125 | 0.039 | 24.464 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 221 | ASP | 0 | 0.061 | -0.121 | 27.484 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 221 | ASP | -1 | -0.904 | -0.801 | 27.997 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 222 | ASP | 0 | 0.067 | -0.081 | 27.776 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 222 | ASP | -1 | -1.001 | -0.864 | 31.883 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 223 | CYS | 0 | 0.071 | -0.117 | 28.916 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 223 | CYS | 0 | -0.141 | 0.092 | 28.925 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 224 | LEU | 0 | 0.023 | -0.139 | 24.568 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 224 | LEU | 0 | -0.096 | 0.108 | 22.832 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 225 | GLY | 0 | 0.031 | -0.066 | 23.514 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 226 | ASP | 0 | 0.093 | -0.040 | 20.979 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 226 | ASP | -1 | -0.981 | -0.831 | 19.895 | 0.433 | 0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 227 | GLN | 0 | 0.000 | -0.130 | 19.365 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 227 | GLN | 0 | -0.081 | 0.118 | 18.533 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 228 | CYS | 0 | 0.137 | -0.086 | 19.881 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 228 | CYS | 0 | -0.153 | 0.061 | 22.180 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 229 | THR | 0 | -0.015 | -0.107 | 17.245 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 229 | THR | 0 | 0.007 | 0.105 | 15.701 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 230 | ARG | 0 | 0.126 | -0.078 | 18.701 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 230 | ARG | 1 | 0.729 | 1.009 | 22.398 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 231 | ILE | 0 | 0.092 | -0.088 | 17.803 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 231 | ILE | 0 | -0.065 | 0.119 | 14.933 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 232 | ALA | 0 | 0.132 | -0.135 | 19.239 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 232 | ALA | 0 | -0.091 | 0.120 | 23.257 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 233 | ASN | 0 | 0.163 | -0.042 | 21.511 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 233 | ASN | 0 | -0.106 | 0.070 | 21.189 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 234 | SER | 0 | 0.076 | -0.065 | 22.254 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 234 | SER | 0 | 0.006 | 0.096 | 24.549 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 235 | LEU | 0 | 0.036 | -0.112 | 24.898 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 235 | LEU | 0 | -0.088 | 0.130 | 25.897 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 236 | ASP | 0 | 0.177 | -0.104 | 25.355 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 236 | ASP | -1 | -0.820 | -0.728 | 24.559 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 237 | ILE | 0 | 0.091 | -0.091 | 26.581 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 237 | ILE | 0 | -0.068 | 0.064 | 30.355 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 238 | VAL | 0 | 0.045 | -0.106 | 28.380 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 238 | VAL | 0 | -0.078 | 0.121 | 27.362 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 239 | PRO | 0 | -0.017 | -0.101 | 25.234 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 240 | TYR | 0 | 0.029 | -0.021 | 28.235 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 240 | TYR | 0 | -0.195 | 0.025 | 28.338 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 241 | ALA | 0 | 0.095 | -0.108 | 31.456 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 241 | ALA | 0 | -0.046 | 0.134 | 33.104 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 242 | TRP | 0 | 0.041 | -0.117 | 32.172 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 242 | TRP | 0 | -0.050 | 0.112 | 33.355 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 243 | ASN | 0 | 0.223 | -0.060 | 34.474 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 243 | ASN | 0 | -0.129 | 0.078 | 34.280 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 244 | THR | 0 | 0.092 | -0.071 | 36.065 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 244 | THR | 0 | -0.056 | 0.045 | 40.457 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 245 | ASN | 0 | 0.017 | -0.095 | 37.625 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 245 | ASN | 0 | -0.078 | 0.073 | 36.815 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 246 | SER | 0 | 0.017 | -0.114 | 33.829 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 246 | SER | 0 | -0.009 | 0.116 | 33.027 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 247 | LEU | 0 | 0.180 | -0.052 | 34.895 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 247 | LEU | 0 | -0.112 | 0.112 | 35.879 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 248 | LYS | 0 | 0.013 | -0.109 | 36.985 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 248 | LYS | 1 | 0.841 | 1.052 | 39.512 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 249 | LYS | 0 | 0.016 | -0.149 | 35.037 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 249 | LYS | 1 | 0.954 | 1.118 | 32.773 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 250 | LEU | 0 | 0.069 | -0.099 | 34.715 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 250 | LEU | 0 | -0.053 | 0.157 | 33.173 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 251 | LYS | 0 | 0.096 | -0.084 | 35.769 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 251 | LYS | 1 | 0.844 | 1.038 | 39.606 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 252 | SER | 0 | -0.006 | -0.101 | 37.153 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 252 | SER | 0 | -0.063 | 0.052 | 37.024 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 253 | ILE | 0 | 0.114 | -0.082 | 32.703 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 253 | ILE | 0 | -0.032 | 0.131 | 29.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 254 | TYR | 0 | -0.006 | -0.092 | 31.909 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 254 | TYR | 0 | -0.113 | 0.084 | 29.087 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 255 | ILE | 0 | 0.134 | -0.072 | 33.201 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 255 | ILE | 0 | -0.139 | 0.060 | 36.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 256 | SER | 0 | -0.014 | -0.053 | 33.083 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 256 | SER | 0 | -0.021 | 0.041 | 32.426 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 257 | GLU | 0 | 0.098 | -0.116 | 34.111 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 257 | GLU | -1 | -0.974 | -0.826 | 34.998 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 258 | GLN | 0 | 0.075 | -0.102 | 32.243 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 258 | GLN | 0 | -0.090 | 0.112 | 30.063 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 259 | ALA | 0 | 0.106 | -0.129 | 33.748 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 259 | ALA | 0 | -0.059 | 0.130 | 32.960 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 260 | SER | 0 | 0.041 | -0.078 | 34.886 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 260 | SER | 0 | -0.067 | 0.066 | 38.487 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 261 | VAL | 0 | 0.099 | -0.127 | 35.190 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 261 | VAL | 0 | -0.102 | 0.177 | 33.962 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 262 | LYS | 0 | 0.041 | -0.111 | 36.429 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 262 | LYS | 1 | 0.847 | 1.039 | 39.779 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 263 | PRO | 0 | 0.001 | -0.090 | 38.219 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 264 | LEU | 0 | 0.102 | -0.020 | 39.597 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 264 | LEU | 0 | -0.001 | 0.148 | 41.136 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 265 | LEU | 0 | 0.053 | -0.129 | 42.674 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 265 | LEU | 0 | -0.013 | 0.128 | 46.577 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 266 | TYR | 0 | 0.113 | -0.101 | 44.710 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 266 | TYR | 0 | -0.037 | 0.138 | 42.823 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 267 | GLN | 0 | 0.094 | -0.108 | 40.293 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 267 | GLN | 0 | -0.054 | 0.117 | 38.610 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 268 | ARG | 0 | 0.088 | -0.077 | 41.430 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 268 | ARG | 1 | 0.826 | 1.031 | 42.593 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 269 | ALA | 0 | 0.044 | -0.112 | 43.144 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 269 | ALA | 0 | -0.031 | 0.111 | 46.081 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 270 | LEU | 0 | 0.063 | -0.099 | 41.895 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 270 | LEU | 0 | -0.058 | 0.115 | 40.608 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 271 | ILE | 0 | 0.137 | -0.080 | 40.238 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 271 | ILE | 0 | -0.099 | 0.090 | 37.537 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 272 | ARG | 0 | 0.045 | -0.082 | 41.075 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 272 | ARG | 1 | 0.872 | 1.037 | 45.036 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 273 | ALA | 0 | 0.117 | -0.101 | 44.405 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 273 | ALA | 0 | -0.057 | 0.142 | 44.382 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 274 | MET | 0 | 0.073 | -0.109 | 40.367 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 274 | MET | 0 | -0.074 | 0.132 | 36.301 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 275 | ILE | 0 | 0.090 | -0.041 | 41.761 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 275 | ILE | 0 | -0.138 | 0.044 | 40.891 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 276 | ALA | 0 | 0.049 | -0.134 | 42.583 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 276 | ALA | 0 | -0.063 | 0.116 | 46.743 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 277 | GLU | 0 | 0.016 | -0.148 | 44.808 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 277 | GLU | -1 | -1.005 | -0.822 | 43.817 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 278 | THR | 0 | -0.005 | -0.125 | 41.003 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 278 | THR | 0 | -0.048 | 0.074 | 39.543 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 279 | LYS | 0 | 0.128 | -0.100 | 42.269 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 279 | LYS | 1 | 0.883 | 1.094 | 45.451 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 280 | GLY | 0 | -0.077 | -0.125 | 44.012 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 281 | LYS | 0 | 0.018 | -0.053 | 41.758 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 281 | LYS | 1 | 0.862 | 1.101 | 40.793 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 282 | LYS | 0 | -0.007 | -0.112 | 40.152 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 282 | LYS | 1 | 0.877 | 1.074 | 40.111 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 283 | TYR | 0 | 0.165 | -0.083 | 36.852 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 283 | TYR | 0 | -0.148 | 0.070 | 35.753 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 284 | LYS | 0 | 0.057 | -0.134 | 33.943 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 284 | LYS | 1 | 0.796 | 1.027 | 32.600 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 285 | GLN | 0 | 0.105 | -0.082 | 29.455 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 285 | GLN | 0 | -0.121 | 0.078 | 27.540 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 286 | ILE | 0 | 0.105 | -0.074 | 27.616 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 286 | ILE | 0 | -0.050 | 0.107 | 25.094 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 287 | LYS | 0 | 0.120 | -0.075 | 24.829 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 287 | LYS | 1 | 0.791 | 1.043 | 22.422 | -0.280 | -0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 288 | ALA | 0 | 0.123 | -0.104 | 25.751 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 288 | ALA | 0 | -0.120 | 0.076 | 29.939 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 289 | GLU | 0 | -0.047 | -0.159 | 27.379 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 289 | GLU | -1 | -0.923 | -0.814 | 27.127 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 290 | THR | 0 | 0.015 | -0.099 | 22.952 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 290 | THR | 0 | -0.038 | 0.080 | 21.006 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 291 | PRO | 0 | -0.087 | -0.096 | 20.388 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 292 | PRO | 0 | -0.023 | -0.020 | 20.787 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 293 | LEU | 0 | 0.077 | 0.001 | 18.723 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 293 | LEU | 0 | -0.089 | 0.092 | 16.158 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 294 | GLU | 0 | 0.061 | -0.148 | 19.582 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 294 | GLU | -1 | -0.972 | -0.818 | 21.511 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 295 | GLY | 0 | 0.022 | -0.091 | 21.179 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 296 | ASN | 0 | 0.058 | -0.039 | 22.950 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 296 | ASN | 0 | -0.069 | 0.118 | 21.563 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 297 | ILE | 0 | 0.107 | -0.091 | 24.856 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 297 | ILE | 0 | -0.096 | 0.097 | 29.015 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 298 | ASN | 0 | 0.160 | -0.087 | 27.460 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 298 | ASN | 0 | -0.094 | 0.112 | 26.547 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 299 | PRO | 0 | -0.017 | -0.103 | 28.065 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 300 | ILE | 0 | 0.122 | 0.003 | 30.394 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 300 | ILE | 0 | -0.043 | 0.124 | 28.942 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 301 | LEU | 0 | 0.003 | -0.109 | 31.200 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 301 | LEU | 0 | -0.106 | 0.111 | 28.118 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 302 | ILE | 0 | 0.102 | -0.144 | 32.388 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 302 | ILE | 0 | -0.038 | 0.139 | 35.874 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 303 | GLU | 0 | 0.100 | -0.108 | 35.200 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 303 | GLU | -1 | -0.995 | -0.840 | 35.939 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 304 | TYR | 0 | 0.129 | -0.059 | 34.394 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 304 | TYR | 0 | -0.138 | 0.020 | 35.201 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 305 | LEU | 0 | 0.052 | -0.127 | 33.379 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 305 | LEU | 0 | -0.050 | 0.107 | 35.131 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 306 | VAL | 0 | 0.093 | -0.084 | 32.223 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 306 | VAL | 0 | -0.042 | 0.130 | 31.260 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 307 | GLN | 0 | 0.160 | -0.096 | 29.998 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 307 | GLN | 0 | -0.133 | 0.083 | 28.843 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 308 | ALA | 0 | 0.109 | -0.085 | 28.687 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 308 | ALA | 0 | -0.128 | 0.077 | 31.064 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 309 | ALA | 0 | 0.022 | -0.110 | 28.205 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 309 | ALA | 0 | -0.024 | 0.109 | 29.038 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 310 | TYR | 0 | 0.065 | -0.109 | 25.884 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 310 | TYR | 0 | -0.108 | 0.054 | 22.347 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 311 | GLN | 0 | 0.063 | -0.111 | 24.102 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 311 | GLN | 0 | -0.104 | 0.106 | 24.634 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 312 | HIS | 0 | 0.065 | -0.102 | 23.314 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 312 | HIS | 0 | -0.116 | 0.088 | 25.351 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 313 | VAL | 0 | 0.039 | -0.109 | 22.645 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 313 | VAL | 0 | -0.051 | 0.119 | 22.689 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 314 | VAL | 0 | 0.087 | -0.114 | 20.805 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 314 | VAL | 0 | -0.026 | 0.141 | 20.694 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 315 | GLY | 0 | 0.012 | -0.085 | 19.538 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 316 | TYR | 0 | 0.083 | 0.040 | 17.798 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 316 | TYR | 0 | -0.140 | 0.027 | 17.205 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 317 | PRO | 0 | 0.045 | -0.098 | 14.615 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 318 | GLU | 0 | 0.096 | -0.001 | 14.467 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 318 | GLU | -1 | -0.930 | -0.797 | 18.007 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 319 | LEU | 0 | 0.044 | -0.125 | 15.615 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 319 | LEU | 0 | -0.088 | 0.099 | 17.214 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 320 | MET | 0 | -0.016 | -0.101 | 12.650 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 320 | MET | 0 | -0.138 | 0.084 | 11.858 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 321 | GLY | 0 | 0.054 | -0.093 | 10.710 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 322 | MET | 0 | 0.104 | 0.033 | 10.043 | -0.300 | -0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 322 | MET | 0 | -0.157 | 0.071 | 9.451 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 323 | MET | 0 | 0.080 | -0.110 | 11.691 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 323 | MET | 0 | -0.086 | 0.120 | 14.877 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 324 | ASP | 0 | 0.137 | -0.108 | 12.779 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 324 | ASP | -1 | -1.064 | -0.862 | 11.775 | -0.926 | -0.926 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 325 | ASP | 0 | -0.046 | -0.135 | 10.299 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 325 | ASP | -1 | -0.868 | -0.811 | 8.654 | -2.458 | -2.458 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 326 | ILE | 0 | 0.105 | -0.112 | 11.518 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 326 | ILE | 0 | -0.136 | 0.096 | 12.815 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 327 | PRO | 0 | 0.052 | -0.068 | 14.697 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 328 | LEU | 0 | 0.120 | -0.002 | 17.913 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 328 | LEU | 0 | -0.063 | 0.101 | 18.494 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | A | 329 | THR | 0 | 0.071 | -0.086 | 20.437 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | A | 329 | THR | 0 | -0.012 | 0.087 | 22.575 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | A | 330 | ASP | 0 | 0.086 | -0.096 | 21.677 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | A | 330 | ASP | -1 | -0.943 | -0.817 | 20.962 | -0.415 | -0.415 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | A | 331 | ILE | 0 | 0.052 | -0.114 | 21.846 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 621 | A | 331 | ILE | 0 | -0.146 | 0.084 | 18.413 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 622 | A | 332 | PHE | 0 | -0.008 | -0.098 | 22.919 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 623 | A | 332 | PHE | 0 | -0.161 | -0.004 | 21.406 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 624 | A | 333 | GLU | 0 | 0.172 | -0.018 | 25.459 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 625 | A | 333 | GLU | -1 | -0.997 | -0.895 | 27.025 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 626 | A | 334 | ASP | 0 | 0.184 | -0.091 | 27.472 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 627 | A | 334 | ASP | -1 | -0.993 | -0.826 | 31.328 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 628 | A | 335 | ALA | 0 | 0.043 | -0.106 | 29.015 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 629 | A | 335 | ALA | 0 | -0.138 | 0.058 | 28.126 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 630 | A | 336 | ILE | 0 | -0.012 | -0.152 | 26.402 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 631 | A | 336 | ILE | 0 | -0.101 | 0.152 | 23.489 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 632 | A | 337 | ALA | 0 | 0.116 | -0.049 | 27.800 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 633 | A | 337 | ALA | 0 | -0.130 | 0.036 | 32.013 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 634 | A | 338 | GLY | 0 | 0.021 | -0.089 | 30.159 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 635 | A | 339 | LEU | 0 | 0.015 | -0.027 | 27.515 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 636 | A | 339 | LEU | 0 | -0.116 | 0.072 | 26.809 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 637 | A | 340 | LEU | 0 | -0.065 | -0.116 | 25.146 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 638 | A | 340 | LEU | 0 | 0.078 | 0.051 | 22.299 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |