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: ZN5NN
Calculation Name: 3MSV-A-Xray540
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 3MSV
Chain ID: A
UniProt ID: Q9USJ7
Base Structure: X-ray
Registration Date: 2025-07-09
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 | OptHSide |
| 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 | 686 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -5539363.596709 |
|---|---|
| FMO2-HF: Nuclear repulsion | 5400141.848836 |
| FMO2-HF: Total energy | -139221.747873 |
| FMO2-MP2: Total energy | -139632.37084 |
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:13:ALA)
Summations of interaction energy for
fragment #1(A:13:ALA)
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| -2.388 | -6.285 | 8.498 | 0.281 | -4.884 | 0.021 |
Interaction energy analysis for fragmet #1(A:13:ALA)
| frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 4 | A | 14 | SER | 0 | 0.018 | 0.104 | 4.783 | 0.158 | 0.328 | -0.001 | -0.065 | -0.105 | 0.000 |
| 5 | A | 15 | LEU | 0 | 0.059 | -0.100 | 3.632 | -0.089 | 1.244 | -0.005 | -0.637 | -0.691 | 0.001 |
| 6 | A | 15 | LEU | 0 | -0.062 | 0.098 | 4.714 | -0.050 | 0.013 | -0.001 | -0.005 | -0.056 | 0.000 |
| 7 | A | 16 | LYS | 0 | 0.053 | -0.099 | 2.904 | 2.808 | -1.993 | 0.136 | 5.315 | -0.651 | 0.000 |
| 8 | A | 16 | LYS | 1 | 0.921 | 1.076 | 1.908 | -4.485 | -5.701 | 8.367 | -4.161 | -2.991 | 0.019 |
| 9 | A | 17 | LYS | 0 | 0.026 | -0.104 | 3.635 | -0.880 | -0.490 | 0.005 | -0.144 | -0.251 | 0.001 |
| 10 | A | 17 | LYS | 1 | 0.902 | 1.084 | 4.500 | 0.330 | 0.398 | -0.001 | -0.018 | -0.049 | 0.000 |
| 11 | A | 18 | GLN | 0 | 0.164 | -0.040 | 5.346 | -0.058 | 0.038 | -0.002 | -0.004 | -0.090 | 0.000 |
| 12 | A | 18 | GLN | 0 | -0.057 | 0.112 | 8.565 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 19 | GLN | 0 | 0.121 | -0.067 | 6.836 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 19 | GLN | 0 | -0.172 | 0.042 | 6.660 | 0.728 | 0.728 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 20 | GLN | 0 | 0.093 | -0.105 | 6.972 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 20 | GLN | 0 | -0.090 | 0.099 | 6.845 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 21 | LEU | 0 | 0.142 | -0.083 | 8.425 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 21 | LEU | 0 | -0.058 | 0.107 | 9.657 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 22 | GLU | 0 | 0.038 | -0.103 | 10.461 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 22 | GLU | -1 | -0.885 | -0.807 | 11.890 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 23 | LYS | 0 | 0.070 | -0.099 | 11.549 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 23 | LYS | 1 | 0.811 | 1.028 | 10.510 | -0.906 | -0.906 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 24 | GLN | 0 | -0.012 | -0.119 | 12.593 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 24 | GLN | 0 | -0.074 | 0.082 | 11.685 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 25 | LYS | 0 | 0.100 | -0.080 | 14.403 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 25 | LYS | 1 | 0.762 | 0.991 | 14.383 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 26 | GLN | 0 | 0.082 | -0.037 | 16.178 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 26 | GLN | 0 | -0.154 | 0.030 | 15.486 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 27 | GLU | 0 | 0.117 | -0.119 | 17.116 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 27 | GLU | -1 | -0.907 | -0.770 | 17.139 | 0.322 | 0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 28 | ALA | 0 | 0.100 | -0.060 | 18.408 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 28 | ALA | 0 | -0.093 | 0.080 | 18.889 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 29 | SER | 0 | 0.036 | -0.061 | 20.241 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 29 | SER | 0 | -0.102 | 0.046 | 21.779 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 30 | TYR | 0 | 0.097 | -0.079 | 22.041 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 30 | TYR | 0 | -0.172 | 0.045 | 21.971 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 31 | GLU | 0 | 0.039 | -0.125 | 22.597 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 31 | GLU | -1 | -0.880 | -0.823 | 22.183 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 32 | LEU | 0 | 0.065 | -0.098 | 24.115 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 32 | LEU | 0 | -0.138 | 0.089 | 23.462 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 33 | SER | 0 | -0.114 | -0.156 | 26.306 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 33 | SER | 0 | 0.026 | 0.035 | 27.013 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 62 | GLU | 0 | 0.126 | -0.025 | 43.988 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 62 | GLU | -1 | -1.051 | -0.872 | 43.752 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 63 | GLU | 0 | 0.069 | -0.081 | 39.405 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 63 | GLU | -1 | -1.002 | -0.844 | 36.040 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 64 | ASP | 0 | 0.118 | -0.152 | 39.399 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 64 | ASP | -1 | -0.953 | -0.790 | 40.641 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 65 | ASN | 0 | 0.049 | -0.081 | 41.078 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 65 | ASN | 0 | -0.064 | 0.056 | 42.228 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 66 | ILE | 0 | 0.028 | -0.120 | 38.199 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 66 | ILE | 0 | -0.087 | 0.105 | 36.370 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 67 | SER | 0 | 0.047 | -0.073 | 37.260 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 67 | SER | 0 | -0.027 | 0.060 | 37.502 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 68 | GLN | 0 | 0.066 | -0.083 | 38.241 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 68 | GLN | 0 | -0.105 | 0.068 | 40.936 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 69 | LEU | 0 | 0.042 | -0.105 | 40.643 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 69 | LEU | 0 | -0.088 | 0.088 | 39.885 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 70 | TRP | 0 | 0.086 | -0.100 | 36.832 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 70 | TRP | 0 | -0.151 | 0.088 | 32.969 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 71 | GLY | 0 | 0.110 | -0.049 | 38.132 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 72 | LEU | 0 | 0.061 | -0.014 | 40.273 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 72 | LEU | 0 | -0.085 | 0.093 | 43.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 73 | TYR | 0 | 0.144 | -0.051 | 39.068 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 73 | TYR | 0 | -0.106 | 0.075 | 35.339 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 74 | GLU | 0 | 0.066 | -0.122 | 38.035 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 74 | GLU | -1 | -0.913 | -0.808 | 35.512 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 75 | MET | 0 | 0.090 | -0.084 | 38.756 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 75 | MET | 0 | -0.127 | 0.078 | 42.327 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 76 | SER | 0 | 0.025 | -0.113 | 42.283 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 76 | SER | 0 | -0.094 | 0.032 | 40.931 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 77 | ARG | 0 | 0.040 | -0.101 | 38.630 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 77 | ARG | 1 | 0.698 | 0.955 | 36.655 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 78 | GLU | 0 | 0.128 | -0.091 | 40.150 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 78 | GLU | -1 | -0.996 | -0.840 | 40.399 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 79 | LYS | 0 | 0.062 | -0.067 | 41.777 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 79 | LYS | 1 | 0.743 | 0.987 | 45.259 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 80 | LEU | 0 | 0.107 | -0.079 | 42.208 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 80 | LEU | 0 | -0.080 | 0.094 | 39.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 81 | GLU | 0 | 0.075 | -0.084 | 40.890 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 81 | GLU | -1 | -0.914 | -0.791 | 38.316 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 82 | ASN | 0 | 0.004 | -0.085 | 41.873 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 82 | ASN | 0 | -0.228 | -0.029 | 44.110 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 83 | ASP | 0 | 0.035 | -0.099 | 44.818 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 83 | ASP | -1 | -0.988 | -0.848 | 46.065 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 84 | ASP | 0 | 0.221 | -0.078 | 46.603 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 84 | ASP | -1 | -0.996 | -0.823 | 48.457 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 85 | ILE | 0 | 0.077 | -0.129 | 46.929 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 85 | ILE | 0 | -0.026 | 0.160 | 46.245 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 86 | ASP | 0 | 0.195 | -0.070 | 47.833 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 86 | ASP | -1 | -0.952 | -0.831 | 52.319 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 87 | ALA | 0 | 0.022 | -0.141 | 49.739 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 87 | ALA | 0 | -0.060 | 0.111 | 49.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 88 | SER | 0 | 0.028 | -0.111 | 45.324 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 88 | SER | 0 | -0.046 | 0.077 | 43.539 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 89 | VAL | 0 | 0.087 | -0.091 | 45.685 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 89 | VAL | 0 | -0.117 | 0.103 | 46.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 90 | SER | 0 | -0.022 | -0.084 | 47.531 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 90 | SER | 0 | -0.014 | 0.050 | 50.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 91 | LEU | 0 | 0.075 | -0.085 | 45.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 91 | LEU | 0 | -0.092 | 0.136 | 45.022 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 92 | VAL | 0 | 0.141 | -0.079 | 43.787 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 92 | VAL | 0 | -0.086 | 0.127 | 42.313 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 93 | PHE | 0 | 0.113 | -0.099 | 44.712 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 93 | PHE | 0 | -0.126 | 0.079 | 48.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 94 | GLY | 0 | -0.033 | -0.126 | 47.566 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 95 | THR | 0 | 0.035 | 0.017 | 43.100 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 95 | THR | 0 | -0.017 | 0.068 | 40.959 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 96 | ILE | 0 | 0.100 | -0.072 | 44.129 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 96 | ILE | 0 | -0.113 | 0.088 | 43.475 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 97 | HIS | 0 | 0.066 | -0.081 | 45.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 97 | HIS | 0 | -0.109 | 0.054 | 49.366 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 98 | GLU | 0 | 0.114 | -0.105 | 46.347 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 98 | GLU | -1 | -0.876 | -0.769 | 44.953 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 99 | ALA | 0 | 0.085 | -0.107 | 43.063 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 99 | ALA | 0 | -0.050 | 0.110 | 42.370 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 100 | ASP | 0 | 0.096 | -0.109 | 44.093 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 100 | ASP | -1 | -1.005 | -0.813 | 46.146 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 101 | ARG | 0 | 0.032 | -0.121 | 46.851 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 101 | ARG | 1 | 0.746 | 0.978 | 48.386 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 102 | ILE | 0 | 0.085 | -0.107 | 44.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 102 | ILE | 0 | -0.075 | 0.117 | 42.487 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 103 | LEU | 0 | 0.077 | -0.095 | 44.646 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 103 | LEU | 0 | -0.104 | 0.101 | 42.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 104 | ARG | 0 | 0.067 | -0.054 | 45.455 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 104 | ARG | 1 | 0.793 | 1.023 | 49.893 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 105 | ASN | 0 | 0.006 | -0.086 | 48.156 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 105 | ASN | 0 | -0.141 | 0.036 | 48.567 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 106 | THR | 0 | 0.079 | -0.082 | 44.859 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 106 | THR | 0 | -0.055 | 0.055 | 42.831 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 107 | GLU | 0 | 0.108 | -0.073 | 46.216 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 107 | GLU | -1 | -1.058 | -0.881 | 46.394 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 108 | ASP | 0 | 0.090 | -0.130 | 43.655 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 108 | ASP | -1 | -0.923 | -0.779 | 42.254 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 109 | ILE | 0 | 0.108 | -0.083 | 42.080 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 109 | ILE | 0 | -0.052 | 0.105 | 42.067 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 110 | SER | 0 | -0.019 | -0.108 | 38.810 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 110 | SER | 0 | -0.058 | 0.046 | 38.440 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 111 | THR | 0 | -0.022 | -0.126 | 37.365 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 111 | THR | 0 | -0.087 | 0.054 | 39.090 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 112 | LEU | 0 | 0.072 | -0.096 | 37.462 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 112 | LEU | 0 | -0.125 | 0.107 | 38.431 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 113 | PRO | 0 | 0.034 | -0.087 | 33.466 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 114 | LYS | 0 | 0.138 | -0.006 | 30.810 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 114 | LYS | 1 | 0.753 | 1.056 | 27.629 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 115 | ASP | 0 | 0.125 | -0.097 | 32.343 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 115 | ASP | -1 | -0.912 | -0.798 | 30.716 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 116 | PHE | 0 | 0.050 | -0.102 | 33.185 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 116 | PHE | 0 | -0.059 | 0.077 | 37.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 117 | HIS | 0 | 0.001 | -0.106 | 35.511 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 117 | HIS | 0 | -0.016 | 0.127 | 34.463 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 118 | ALA | 0 | 0.182 | -0.066 | 32.560 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 118 | ALA | 0 | -0.077 | 0.104 | 31.916 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 119 | ALA | 0 | 0.078 | -0.114 | 33.753 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 119 | ALA | 0 | -0.049 | 0.126 | 36.692 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 120 | TYR | 0 | 0.107 | -0.071 | 36.599 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 120 | TYR | 0 | -0.174 | 0.019 | 38.851 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 121 | SER | 0 | -0.021 | -0.132 | 35.582 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 121 | SER | 0 | -0.046 | 0.064 | 34.931 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 122 | SER | 0 | 0.051 | -0.079 | 35.798 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 122 | SER | 0 | -0.063 | 0.056 | 34.444 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 123 | ALA | 0 | 0.107 | -0.076 | 36.484 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 123 | ALA | 0 | -0.088 | 0.088 | 40.684 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 124 | LEU | 0 | 0.024 | -0.133 | 39.933 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 124 | LEU | 0 | -0.104 | 0.096 | 39.590 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 125 | LEU | 0 | 0.204 | -0.079 | 37.200 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 125 | LEU | 0 | -0.121 | 0.111 | 34.458 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 126 | ALA | 0 | 0.116 | -0.074 | 38.727 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 126 | ALA | 0 | -0.091 | 0.106 | 39.479 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 127 | VAL | 0 | 0.060 | -0.110 | 40.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 127 | VAL | 0 | -0.099 | 0.083 | 43.747 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 128 | SER | 0 | 0.004 | -0.070 | 41.449 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 128 | SER | 0 | -0.068 | 0.028 | 40.036 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 129 | GLU | 0 | 0.113 | -0.081 | 40.244 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 129 | GLU | -1 | -0.856 | -0.765 | 38.426 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 130 | LEU | 0 | 0.003 | -0.118 | 41.295 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 130 | LEU | 0 | -0.078 | 0.104 | 42.683 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 131 | PHE | 0 | 0.068 | -0.085 | 44.668 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 131 | PHE | 0 | -0.045 | 0.098 | 45.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 132 | GLU | 0 | 0.117 | -0.110 | 46.671 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 132 | GLU | -1 | -0.995 | -0.838 | 47.475 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 133 | ILE | 0 | 0.058 | -0.118 | 48.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 133 | ILE | 0 | -0.072 | 0.109 | 49.060 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 134 | ALA | 0 | 0.110 | -0.130 | 48.029 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 134 | ALA | 0 | -0.051 | 0.128 | 47.426 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 135 | GLN | 0 | 0.050 | -0.121 | 49.470 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 135 | GLN | 0 | -0.077 | 0.095 | 50.235 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 136 | LYS | 0 | 0.042 | -0.085 | 51.300 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 136 | LYS | 1 | 0.772 | 1.019 | 53.109 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 137 | ARG | 0 | -0.030 | -0.082 | 52.980 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 137 | ARG | 1 | 0.704 | 0.924 | 51.775 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 138 | LEU | 0 | 0.023 | -0.137 | 52.354 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 138 | LEU | 0 | -0.056 | 0.107 | 49.054 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 139 | LYS | 0 | 0.179 | -0.015 | 53.783 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 139 | LYS | 1 | 0.819 | 1.008 | 54.774 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 140 | GLU | 0 | 0.093 | -0.095 | 54.182 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 140 | GLU | -1 | -0.947 | -0.828 | 56.981 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 141 | THR | 0 | -0.027 | -0.074 | 53.794 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 141 | THR | 0 | -0.129 | 0.017 | 53.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 142 | ASN | 0 | 0.103 | -0.088 | 50.020 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 142 | ASN | 0 | -0.094 | 0.058 | 49.734 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 143 | THR | 0 | 0.031 | -0.044 | 47.658 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 143 | THR | 0 | -0.026 | 0.059 | 46.795 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 144 | GLU | 0 | 0.196 | -0.085 | 44.614 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 144 | GLU | -1 | -0.876 | -0.773 | 41.791 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 145 | GLU | 0 | 0.114 | -0.102 | 41.896 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 145 | GLU | -1 | -0.881 | -0.756 | 41.164 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 146 | SER | 0 | 0.031 | -0.071 | 41.840 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 146 | SER | 0 | -0.053 | 0.056 | 45.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 147 | TYR | 0 | 0.068 | -0.079 | 42.727 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 147 | TYR | 0 | -0.147 | 0.071 | 42.563 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 148 | ILE | 0 | 0.103 | -0.106 | 38.708 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 148 | ILE | 0 | -0.070 | 0.116 | 36.842 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 149 | ASP | 0 | 0.127 | -0.066 | 37.945 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 149 | ASP | -1 | -0.957 | -0.818 | 39.333 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 150 | ALA | 0 | 0.116 | -0.090 | 38.862 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 150 | ALA | 0 | -0.100 | 0.090 | 41.925 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 151 | ALA | 0 | 0.081 | -0.107 | 37.547 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 151 | ALA | 0 | -0.059 | 0.118 | 36.744 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 152 | ILE | 0 | 0.081 | -0.077 | 34.476 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 152 | ILE | 0 | -0.104 | 0.098 | 33.807 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 153 | GLU | 0 | 0.064 | -0.099 | 35.006 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 153 | GLU | -1 | -0.971 | -0.849 | 37.738 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 154 | ARG | 0 | 0.075 | -0.115 | 36.965 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 154 | ARG | 1 | 0.780 | 1.051 | 37.410 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 155 | ALA | 0 | 0.172 | -0.106 | 33.102 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 155 | ALA | 0 | -0.060 | 0.112 | 32.063 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 156 | GLN | 0 | 0.080 | -0.109 | 32.295 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 156 | GLN | 0 | -0.096 | 0.108 | 32.152 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 157 | LEU | 0 | 0.015 | -0.106 | 33.366 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 157 | LEU | 0 | -0.107 | 0.091 | 37.312 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 158 | GLY | 0 | -0.001 | -0.113 | 33.179 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 159 | LEU | 0 | -0.002 | -0.051 | 29.839 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 159 | LEU | 0 | -0.060 | 0.125 | 27.480 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 160 | ASP | 0 | 0.112 | -0.104 | 29.958 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 160 | ASP | -1 | -1.017 | -0.847 | 32.933 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 161 | ALA | 0 | 0.047 | -0.103 | 32.699 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 161 | ALA | 0 | -0.079 | 0.112 | 33.222 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 162 | PRO | 0 | -0.038 | -0.094 | 30.986 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 163 | GLY | 0 | 0.037 | -0.004 | 29.811 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 164 | ASN | 0 | 0.113 | 0.018 | 26.213 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 164 | ASN | 0 | -0.089 | 0.077 | 24.115 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 165 | GLU | 0 | 0.122 | -0.112 | 25.391 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 165 | GLU | -1 | -0.973 | -0.837 | 22.696 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 166 | SER | 0 | -0.073 | -0.108 | 24.503 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 166 | SER | 0 | 0.018 | 0.076 | 23.689 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 167 | ARG | 0 | 0.163 | -0.063 | 25.383 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 167 | ARG | 1 | 0.747 | 0.977 | 29.169 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 168 | LEU | 0 | 0.153 | -0.068 | 28.679 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 168 | LEU | 0 | -0.144 | 0.089 | 28.516 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 169 | PHE | 0 | 0.061 | -0.115 | 24.807 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 169 | PHE | 0 | -0.079 | 0.090 | 21.486 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 170 | LEU | 0 | 0.165 | -0.072 | 26.270 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 170 | LEU | 0 | -0.125 | 0.094 | 26.514 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 171 | ALA | 0 | 0.068 | -0.110 | 27.411 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 171 | ALA | 0 | -0.052 | 0.109 | 31.424 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 172 | LEU | 0 | 0.040 | -0.120 | 28.960 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 172 | LEU | 0 | -0.107 | 0.085 | 27.691 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 173 | ALA | 0 | 0.102 | -0.063 | 26.685 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 173 | ALA | 0 | -0.059 | 0.100 | 25.889 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 174 | ARG | 0 | 0.037 | -0.121 | 27.952 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 174 | ARG | 1 | 0.809 | 1.030 | 29.663 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 175 | ALA | 0 | 0.162 | -0.071 | 30.827 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 175 | ALA | 0 | -0.071 | 0.114 | 33.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 176 | TYR | 0 | 0.020 | -0.131 | 30.329 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 176 | TYR | 0 | -0.156 | 0.053 | 28.444 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 177 | LEU | 0 | 0.150 | -0.080 | 30.530 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 177 | LEU | 0 | -0.106 | 0.103 | 27.172 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 178 | GLU | 0 | 0.104 | -0.096 | 31.432 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 178 | GLU | -1 | -0.885 | -0.803 | 34.455 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 179 | LYS | 0 | 0.054 | -0.107 | 34.634 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 179 | LYS | 1 | 0.724 | 0.971 | 34.473 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 180 | VAL | 0 | 0.062 | -0.111 | 32.909 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 180 | VAL | 0 | -0.070 | 0.106 | 30.925 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 181 | ARG | 0 | 0.080 | -0.090 | 34.347 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 181 | ARG | 1 | 0.699 | 0.955 | 35.636 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 182 | VAL | 0 | 0.098 | -0.098 | 36.530 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 182 | VAL | 0 | -0.077 | 0.111 | 39.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 183 | LEU | 0 | 0.073 | -0.109 | 37.886 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 183 | LEU | 0 | -0.115 | 0.088 | 35.925 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 184 | VAL | 0 | 0.056 | -0.096 | 37.681 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 184 | VAL | 0 | -0.072 | 0.105 | 35.676 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 185 | TRP | 0 | 0.167 | -0.059 | 38.733 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 185 | TRP | 0 | -0.095 | 0.091 | 41.670 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 186 | ARG | 0 | 0.102 | -0.087 | 41.846 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 186 | ARG | 1 | 0.670 | 0.919 | 42.209 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 187 | HIS | 0 | 0.046 | -0.094 | 41.210 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 187 | HIS | 1 | 0.719 | 0.956 | 40.604 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 188 | ASP | 0 | 0.031 | -0.105 | 42.590 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 188 | ASP | -1 | -0.978 | -0.814 | 41.773 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 189 | ASN | 0 | 0.028 | -0.105 | 44.475 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 189 | ASN | 0 | -0.151 | 0.039 | 45.063 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 190 | GLU | 0 | 0.082 | -0.121 | 46.552 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 190 | GLU | -1 | -0.872 | -0.763 | 46.120 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 191 | GLU | 0 | 0.159 | -0.065 | 47.536 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 191 | GLU | -1 | -1.048 | -0.882 | 51.654 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 192 | SER | 0 | -0.037 | -0.092 | 48.578 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 192 | SER | 0 | -0.064 | 0.033 | 47.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 193 | LEU | 0 | 0.014 | -0.123 | 44.364 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 193 | LEU | 0 | -0.064 | 0.114 | 42.357 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 194 | ALA | 0 | 0.209 | -0.047 | 43.917 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 194 | ALA | 0 | -0.057 | 0.131 | 47.549 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 195 | ASN | 0 | -0.021 | -0.079 | 44.615 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 195 | ASN | 0 | -0.161 | 0.025 | 45.809 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 196 | ILE | 0 | 0.086 | -0.136 | 41.609 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 196 | ILE | 0 | -0.104 | 0.106 | 39.427 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 197 | PRO | 0 | 0.024 | -0.103 | 37.167 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 198 | VAL | 0 | 0.123 | -0.015 | 37.043 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 198 | VAL | 0 | -0.019 | 0.145 | 35.315 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 199 | THR | 0 | 0.071 | -0.052 | 33.075 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 199 | THR | 0 | 0.001 | 0.092 | 32.112 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 200 | GLN | 0 | 0.152 | -0.061 | 32.957 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 200 | GLN | 0 | -0.158 | 0.067 | 34.238 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 201 | LEU | 0 | -0.012 | -0.147 | 34.763 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 201 | LEU | 0 | -0.053 | 0.098 | 37.257 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 202 | VAL | 0 | 0.042 | -0.096 | 33.606 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 202 | VAL | 0 | -0.067 | 0.125 | 31.693 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 203 | ASN | 0 | 0.101 | -0.116 | 29.634 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 203 | ASN | 0 | -0.034 | 0.144 | 29.168 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 204 | PRO | 0 | 0.018 | -0.084 | 28.762 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 205 | TYR | 0 | 0.097 | -0.003 | 29.458 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 205 | TYR | 0 | -0.074 | 0.103 | 31.794 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 206 | ILE | 0 | 0.116 | -0.093 | 27.961 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 206 | ILE | 0 | -0.100 | 0.114 | 25.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 207 | GLU | 0 | 0.145 | -0.103 | 24.743 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 207 | GLU | -1 | -0.937 | -0.841 | 24.331 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 208 | LYS | 0 | 0.076 | -0.101 | 24.491 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 208 | LYS | 1 | 0.766 | 1.041 | 27.686 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 209 | ALA | 0 | 0.084 | -0.111 | 25.631 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 209 | ALA | 0 | -0.053 | 0.114 | 26.679 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 210 | ILE | 0 | 0.065 | -0.126 | 22.269 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 210 | ILE | 0 | -0.078 | 0.118 | 20.275 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 211 | GLN | 0 | 0.063 | -0.119 | 20.924 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 211 | GLN | 0 | -0.122 | 0.095 | 22.213 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 212 | TYR | 0 | 0.023 | -0.107 | 21.231 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 212 | TYR | 0 | -0.099 | 0.103 | 24.156 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 213 | LEU | 0 | 0.096 | -0.120 | 21.778 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 213 | LEU | 0 | -0.039 | 0.121 | 21.679 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 214 | ARG | 0 | 0.100 | -0.059 | 17.692 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 214 | ARG | 1 | 0.744 | 0.972 | 14.696 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 215 | PRO | 0 | -0.011 | -0.123 | 16.773 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 216 | LEU | 0 | 0.118 | 0.018 | 17.752 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 216 | LEU | 0 | -0.094 | 0.116 | 21.378 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 217 | ALA | 0 | 0.141 | -0.093 | 17.533 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 217 | ALA | 0 | -0.075 | 0.123 | 16.905 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 218 | GLN | 0 | -0.007 | -0.104 | 14.031 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 218 | GLN | 0 | -0.124 | 0.061 | 11.963 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 219 | ASP | 0 | 0.067 | -0.100 | 13.278 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 219 | ASP | -1 | -0.950 | -0.873 | 11.558 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 220 | SER | 0 | 0.008 | -0.075 | 13.943 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 220 | SER | 0 | -0.055 | 0.054 | 13.481 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 221 | THR | 0 | -0.048 | -0.096 | 15.103 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 221 | THR | 0 | -0.101 | 0.048 | 18.299 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 222 | GLU | 0 | 0.112 | -0.097 | 18.570 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 222 | GLU | -1 | -1.003 | -0.844 | 20.020 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 223 | TYR | 0 | 0.131 | -0.090 | 20.346 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 223 | TYR | 0 | -0.112 | 0.085 | 22.561 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 224 | PHE | 0 | 0.033 | -0.092 | 22.995 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 224 | PHE | 0 | -0.091 | 0.076 | 23.511 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 225 | ASP | 0 | 0.100 | -0.104 | 26.364 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 225 | ASP | -1 | -0.867 | -0.790 | 30.642 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 226 | ALA | 0 | 0.139 | -0.053 | 29.682 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 226 | ALA | 0 | -0.107 | 0.082 | 29.835 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 227 | LEU | 0 | 0.093 | -0.106 | 26.358 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 227 | LEU | 0 | -0.170 | 0.107 | 23.922 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 228 | THR | 0 | -0.001 | -0.094 | 27.699 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 228 | THR | 0 | 0.024 | 0.092 | 31.319 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 229 | PRO | 0 | 0.097 | -0.047 | 29.290 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 230 | ASP | 0 | 0.040 | -0.002 | 30.305 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 230 | ASP | -1 | -0.841 | -0.779 | 34.297 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 231 | SER | 0 | 0.017 | -0.103 | 30.989 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 231 | SER | 0 | -0.032 | 0.066 | 29.619 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 232 | LEU | 0 | 0.006 | -0.120 | 27.980 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 232 | LEU | 0 | -0.045 | 0.139 | 25.309 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 233 | ARG | 0 | 0.176 | -0.047 | 29.109 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 233 | ARG | 1 | 0.728 | 0.997 | 33.375 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 234 | PRO | 0 | -0.005 | -0.121 | 30.469 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 235 | LEU | 0 | 0.026 | -0.018 | 26.967 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 235 | LEU | 0 | -0.060 | 0.106 | 24.291 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 236 | TYR | 0 | 0.084 | -0.114 | 28.000 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 236 | TYR | 0 | -0.072 | 0.113 | 31.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 237 | ILE | 0 | 0.093 | -0.088 | 30.515 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 237 | ILE | 0 | -0.081 | 0.106 | 31.433 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 238 | LEU | 0 | 0.099 | -0.092 | 26.983 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 238 | LEU | 0 | -0.116 | 0.088 | 23.789 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 239 | SER | 0 | 0.000 | -0.098 | 26.670 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 239 | SER | 0 | -0.023 | 0.055 | 26.264 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 240 | SER | 0 | 0.096 | -0.062 | 27.673 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 240 | SER | 0 | -0.061 | 0.070 | 32.059 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 241 | TYR | 0 | 0.082 | -0.036 | 30.452 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 241 | TYR | 0 | -0.119 | 0.032 | 28.439 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 242 | LEU | 0 | 0.031 | -0.123 | 26.241 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 242 | LEU | 0 | -0.100 | 0.080 | 23.281 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 243 | PHE | 0 | 0.138 | -0.068 | 27.595 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 243 | PHE | 0 | -0.083 | 0.086 | 29.204 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 244 | GLN | 0 | 0.094 | -0.080 | 29.486 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 244 | GLN | 0 | -0.160 | 0.054 | 33.161 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 245 | PHE | 0 | 0.040 | -0.078 | 30.920 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 245 | PHE | 0 | -0.155 | 0.044 | 31.021 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 246 | GLY | 0 | 0.122 | -0.075 | 27.607 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 247 | ASP | 0 | 0.024 | -0.053 | 27.598 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 247 | ASP | -1 | -0.918 | -0.817 | 31.778 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 248 | GLN | 0 | -0.003 | -0.078 | 29.283 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 248 | GLN | 0 | -0.152 | 0.050 | 30.032 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 249 | PHE | 0 | 0.081 | -0.102 | 25.080 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 249 | PHE | 0 | -0.153 | 0.046 | 24.006 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 250 | SER | 0 | 0.082 | -0.053 | 21.831 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 250 | SER | 0 | -0.101 | 0.007 | 20.097 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 251 | GLU | 0 | 0.184 | -0.067 | 21.382 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 251 | GLU | -1 | -0.881 | -0.761 | 19.848 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 252 | ALA | 0 | 0.057 | -0.117 | 17.246 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 252 | ALA | 0 | -0.076 | 0.102 | 16.243 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 253 | PHE | 0 | 0.105 | -0.089 | 17.175 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 253 | PHE | 0 | -0.073 | 0.105 | 20.526 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 254 | LEU | 0 | 0.085 | -0.101 | 19.384 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 254 | LEU | 0 | -0.034 | 0.143 | 21.779 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 255 | LEU | 0 | 0.111 | -0.095 | 17.328 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 255 | LEU | 0 | -0.086 | 0.108 | 16.446 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 256 | ASP | 0 | 0.061 | -0.096 | 15.305 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 256 | ASP | -1 | -0.818 | -0.771 | 14.668 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 257 | VAL | 0 | 0.012 | -0.116 | 16.269 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 257 | VAL | 0 | -0.046 | 0.125 | 19.684 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 258 | CYS | 0 | 0.143 | -0.143 | 19.412 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 258 | CYS | 0 | -0.067 | 0.136 | 20.213 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 259 | SER | 0 | -0.008 | -0.102 | 15.984 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 259 | SER | 0 | -0.061 | 0.082 | 15.279 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 260 | ILE | 0 | 0.065 | -0.079 | 17.401 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 260 | ILE | 0 | -0.116 | 0.071 | 16.621 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 261 | ILE | 0 | 0.084 | -0.097 | 18.120 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 261 | ILE | 0 | -0.083 | 0.116 | 22.124 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 262 | THR | 0 | 0.028 | -0.104 | 20.252 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 262 | THR | 0 | -0.048 | 0.065 | 19.199 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 263 | ALA | 0 | 0.090 | -0.092 | 17.362 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 263 | ALA | 0 | -0.081 | 0.102 | 16.611 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 264 | LEU | 0 | 0.030 | -0.117 | 18.675 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 264 | LEU | 0 | -0.109 | 0.105 | 20.266 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 265 | TRP | 0 | 0.136 | -0.095 | 21.594 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 265 | TRP | 0 | -0.082 | 0.127 | 23.882 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 266 | LEU | 0 | 0.109 | -0.085 | 21.305 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 266 | LEU | 0 | -0.107 | 0.092 | 19.512 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 267 | LYS | 0 | 0.099 | -0.074 | 21.042 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 267 | LYS | 1 | 0.730 | 0.998 | 17.716 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 268 | SER | 0 | 0.027 | -0.111 | 21.929 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 268 | SER | 0 | -0.059 | 0.042 | 25.958 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 269 | VAL | 0 | -0.065 | -0.114 | 24.831 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 269 | VAL | 0 | -0.079 | 0.080 | 25.733 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 270 | VAL | 0 | 0.107 | -0.108 | 22.125 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 270 | VAL | 0 | -0.093 | 0.095 | 20.201 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 271 | ASP | 0 | 0.102 | -0.107 | 23.605 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 271 | ASP | -1 | -0.877 | -0.764 | 26.220 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 272 | PRO | 0 | -0.013 | -0.096 | 24.922 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 273 | ASN | 0 | 0.001 | 0.012 | 27.519 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 273 | ASN | 0 | -0.133 | 0.033 | 29.079 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 274 | THR | 0 | 0.059 | -0.104 | 29.455 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 274 | THR | 0 | -0.051 | 0.098 | 28.238 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 275 | PRO | 0 | 0.013 | -0.078 | 30.922 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 276 | ALA | 0 | 0.151 | 0.017 | 33.107 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 276 | ALA | 0 | -0.042 | 0.118 | 34.920 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 277 | TYR | 0 | 0.081 | -0.085 | 33.790 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 277 | TYR | 0 | -0.072 | 0.109 | 36.898 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 278 | TYR | 0 | 0.096 | -0.097 | 32.768 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 278 | TYR | 0 | -0.156 | 0.019 | 32.035 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 279 | LYS | 0 | 0.125 | -0.087 | 29.566 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 279 | LYS | 1 | 0.706 | 0.953 | 28.260 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 280 | LEU | 0 | 0.091 | -0.108 | 30.088 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 280 | LEU | 0 | -0.131 | 0.112 | 33.587 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 281 | ILE | 0 | 0.111 | -0.069 | 32.029 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 281 | ILE | 0 | -0.081 | 0.095 | 31.897 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 282 | ALA | 0 | 0.118 | -0.092 | 27.988 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 282 | ALA | 0 | -0.081 | 0.098 | 26.913 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 283 | GLN | 0 | 0.061 | -0.103 | 27.375 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 283 | GLN | 0 | -0.091 | 0.083 | 24.776 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 284 | GLU | 0 | 0.116 | -0.116 | 28.447 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 284 | GLU | -1 | -0.909 | -0.784 | 32.451 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 285 | ALA | 0 | 0.111 | -0.092 | 28.712 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 285 | ALA | 0 | -0.062 | 0.109 | 27.965 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 286 | VAL | 0 | 0.092 | -0.098 | 25.146 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 286 | VAL | 0 | -0.092 | 0.109 | 23.398 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 287 | LEU | 0 | 0.084 | -0.086 | 25.821 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 287 | LEU | 0 | -0.090 | 0.096 | 28.882 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 288 | ASN | 0 | 0.036 | -0.082 | 28.196 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 288 | ASN | 0 | -0.053 | 0.077 | 29.871 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 289 | ASN | 0 | 0.129 | -0.020 | 25.228 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 289 | ASN | 0 | -0.115 | 0.061 | 24.285 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 290 | TYR | 0 | 0.078 | -0.094 | 24.580 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 290 | TYR | 0 | -0.086 | 0.078 | 21.124 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 291 | THR | 0 | 0.032 | -0.074 | 25.490 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 291 | THR | 0 | -0.094 | 0.033 | 29.795 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 292 | THR | 0 | 0.104 | -0.051 | 28.620 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 292 | THR | 0 | -0.091 | 0.036 | 27.629 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 293 | PHE | 0 | 0.173 | -0.043 | 24.256 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 293 | PHE | 0 | -0.179 | 0.058 | 20.809 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 294 | ALA | 0 | 0.069 | -0.111 | 25.711 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 294 | ALA | 0 | -0.051 | 0.097 | 27.239 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 295 | GLU | 0 | 0.100 | -0.124 | 27.437 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 295 | GLU | -1 | -1.014 | -0.835 | 30.629 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 296 | TYR | 0 | 0.128 | -0.045 | 27.534 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 296 | TYR | 0 | -0.128 | 0.062 | 24.383 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 297 | TYR | 0 | 0.071 | -0.102 | 26.713 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 297 | TYR | 0 | -0.194 | -0.008 | 21.158 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 298 | MET | 0 | 0.123 | -0.111 | 27.716 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 298 | MET | 0 | -0.099 | 0.107 | 30.205 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 299 | ASP | 0 | 0.113 | -0.103 | 31.163 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 299 | ASP | -1 | -1.018 | -0.832 | 31.499 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 300 | LEU | 0 | 0.015 | -0.112 | 29.562 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 300 | LEU | 0 | -0.092 | 0.074 | 26.946 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 301 | LEU | 0 | 0.060 | -0.086 | 31.057 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 301 | LEU | 0 | -0.125 | 0.080 | 30.884 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 302 | ASP | 0 | 0.069 | -0.119 | 32.392 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 302 | ASP | -1 | -1.030 | -0.845 | 35.801 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 303 | ASN | 0 | 0.064 | -0.059 | 34.653 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 303 | ASN | 0 | -0.242 | -0.032 | 34.653 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 304 | SER | 0 | 0.096 | -0.088 | 32.814 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 304 | SER | 0 | -0.039 | 0.049 | 31.350 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 305 | GLU | 0 | 0.094 | -0.050 | 34.299 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 305 | GLU | -1 | -1.074 | -0.870 | 35.873 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 306 | SER | 0 | -0.015 | -0.110 | 31.267 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 306 | SER | 0 | -0.079 | 0.043 | 29.710 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 307 | ASN | 0 | 0.063 | -0.036 | 27.816 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 307 | ASN | 0 | -0.140 | 0.031 | 26.894 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 308 | VAL | 0 | 0.212 | -0.065 | 28.165 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 308 | VAL | 0 | -0.012 | 0.133 | 32.044 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 309 | ASP | 0 | 0.188 | -0.078 | 28.541 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 309 | ASP | -1 | -1.009 | -0.844 | 27.869 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 310 | ASP | 0 | 0.056 | -0.082 | 24.555 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 310 | ASP | -1 | -0.957 | -0.853 | 22.420 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 311 | LEU | 0 | 0.040 | -0.135 | 24.608 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 311 | LEU | 0 | -0.038 | 0.139 | 25.853 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 312 | ILE | 0 | 0.133 | -0.082 | 26.775 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 312 | ILE | 0 | -0.053 | 0.130 | 29.063 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 313 | ASN | 0 | 0.091 | -0.078 | 24.563 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 313 | ASN | 0 | -0.194 | 0.025 | 23.624 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 314 | LYS | 0 | 0.062 | -0.115 | 22.428 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 314 | LYS | 1 | 0.717 | 0.989 | 20.025 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 315 | ALA | 0 | 0.102 | -0.114 | 23.335 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 315 | ALA | 0 | -0.005 | 0.149 | 27.816 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 316 | SER | 0 | 0.028 | -0.098 | 26.476 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 316 | SER | 0 | -0.055 | 0.064 | 26.463 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 317 | SER | 0 | 0.047 | -0.049 | 22.300 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 317 | SER | 0 | -0.067 | 0.051 | 20.405 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 318 | TRP | 0 | 0.031 | -0.120 | 23.469 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 318 | TRP | 0 | -0.085 | 0.123 | 18.919 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 319 | LEU | 0 | 0.142 | -0.090 | 24.258 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 319 | LEU | 0 | -0.030 | 0.138 | 28.349 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 320 | ASN | 0 | 0.076 | -0.085 | 26.214 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 320 | ASN | 0 | -0.149 | 0.052 | 25.401 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 321 | ASN | 0 | 0.140 | -0.067 | 23.148 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 321 | ASN | 0 | -0.142 | 0.054 | 20.419 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 322 | SER | 0 | 0.012 | -0.101 | 24.276 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 322 | SER | 0 | -0.020 | 0.070 | 27.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 323 | VAL | 0 | 0.089 | -0.080 | 27.579 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 323 | VAL | 0 | -0.078 | 0.094 | 28.895 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 324 | ASP | 0 | 0.115 | -0.095 | 25.707 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 324 | ASP | -1 | -1.027 | -0.840 | 24.545 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 325 | THR | 0 | 0.035 | -0.118 | 26.656 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 325 | THR | 0 | -0.071 | 0.073 | 25.432 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 326 | TRP | 0 | 0.116 | -0.062 | 27.358 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 326 | TRP | 0 | -0.108 | 0.085 | 31.484 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 327 | ASN | 0 | 0.079 | -0.079 | 30.437 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 327 | ASN | 0 | -0.151 | 0.041 | 29.984 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 328 | VAL | 0 | 0.074 | -0.101 | 28.335 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 328 | VAL | 0 | -0.097 | 0.081 | 26.272 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 329 | ILE | 0 | 0.079 | -0.118 | 29.745 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 329 | ILE | 0 | -0.079 | 0.114 | 30.335 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 330 | TYR | 0 | 0.058 | -0.080 | 32.307 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 330 | TYR | 0 | -0.055 | 0.091 | 34.630 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 331 | THR | 0 | -0.023 | -0.120 | 33.245 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 331 | THR | 0 | -0.109 | 0.039 | 32.416 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 332 | LEU | 0 | 0.005 | -0.099 | 33.546 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 332 | LEU | 0 | -0.125 | 0.072 | 30.203 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 333 | ASP | 0 | 0.048 | -0.103 | 34.531 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 333 | ASP | -1 | -0.926 | -0.808 | 36.843 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 334 | LYS | 0 | 0.166 | -0.054 | 37.689 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 334 | LYS | 1 | 0.776 | 1.020 | 38.962 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 335 | SER | 0 | -0.030 | -0.138 | 39.502 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 335 | SER | 0 | -0.031 | 0.080 | 41.016 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 336 | PRO | 0 | -0.004 | -0.103 | 41.018 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 337 | GLU | 0 | 0.115 | 0.014 | 42.659 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 337 | GLU | -1 | -0.815 | -0.763 | 41.422 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 338 | ARG | 0 | 0.069 | -0.106 | 38.411 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 338 | ARG | 1 | 0.677 | 0.956 | 36.268 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 339 | LEU | 0 | 0.057 | -0.112 | 38.164 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 339 | LEU | 0 | -0.111 | 0.101 | 39.026 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 340 | LEU | 0 | 0.066 | -0.099 | 39.626 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 340 | LEU | 0 | -0.060 | 0.107 | 41.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 341 | LYS | 0 | 0.117 | -0.053 | 36.748 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 341 | LYS | 1 | 0.816 | 1.052 | 32.996 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 342 | LEU | 0 | 0.085 | -0.114 | 34.936 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 342 | LEU | 0 | -0.087 | 0.086 | 33.941 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 343 | ALA | 0 | 0.106 | -0.101 | 35.894 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 343 | ALA | 0 | -0.085 | 0.102 | 40.125 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 344 | ASP | 0 | 0.045 | -0.121 | 37.402 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 344 | ASP | -1 | -0.861 | -0.787 | 36.517 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 345 | ILE | 0 | 0.159 | -0.025 | 33.027 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 345 | ILE | 0 | -0.151 | 0.058 | 31.068 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 346 | LYS | 0 | 0.029 | -0.107 | 33.710 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 346 | LYS | 1 | 0.705 | 0.975 | 32.295 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 347 | MET | 0 | 0.105 | -0.099 | 35.345 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 347 | MET | 0 | -0.082 | 0.089 | 38.337 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 348 | ASP | 0 | 0.088 | -0.079 | 33.901 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 348 | ASP | -1 | -0.937 | -0.839 | 33.206 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 349 | LEU | 0 | 0.122 | -0.074 | 32.356 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 349 | LEU | 0 | -0.146 | 0.058 | 29.255 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 350 | ALA | 0 | 0.064 | -0.122 | 33.180 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 350 | ALA | 0 | -0.105 | 0.074 | 37.799 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 351 | GLN | 0 | 0.038 | -0.093 | 36.460 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 351 | GLN | 0 | -0.089 | 0.089 | 36.166 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 352 | ILE | 0 | -0.011 | -0.115 | 32.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 352 | ILE | 0 | -0.078 | 0.103 | 29.930 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 353 | VAL | 0 | 0.084 | -0.070 | 32.215 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 353 | VAL | 0 | -0.102 | 0.082 | 31.539 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 354 | GLN | 0 | 0.119 | -0.085 | 32.741 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 354 | GLN | 0 | -0.157 | 0.047 | 30.854 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 355 | ASP | 0 | 0.014 | -0.091 | 34.285 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 355 | ASP | -1 | -0.906 | -0.824 | 33.377 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | A | 356 | GLU | 0 | 0.192 | -0.086 | 35.969 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | A | 356 | GLU | -1 | -0.976 | -0.843 | 40.452 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | A | 357 | ALA | 0 | 0.114 | -0.075 | 37.922 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | A | 357 | ALA | 0 | -0.140 | 0.072 | 36.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | A | 358 | SER | 0 | 0.009 | -0.115 | 34.230 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 621 | A | 358 | SER | 0 | -0.048 | 0.050 | 33.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 622 | A | 359 | GLN | 0 | 0.098 | -0.077 | 35.614 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 623 | A | 359 | GLN | 0 | -0.104 | 0.094 | 37.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 624 | A | 360 | ASP | 0 | 0.121 | -0.110 | 37.670 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 625 | A | 360 | ASP | -1 | -1.043 | -0.864 | 40.713 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 626 | A | 361 | ASN | 0 | 0.048 | -0.076 | 37.279 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 627 | A | 361 | ASN | 0 | -0.195 | 0.007 | 36.609 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 628 | A | 362 | TYR | 0 | 0.082 | -0.099 | 36.203 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 629 | A | 362 | TYR | 0 | -0.087 | 0.117 | 31.034 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 630 | A | 363 | LEU | 0 | 0.135 | -0.113 | 37.100 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 631 | A | 363 | LEU | 0 | -0.050 | 0.132 | 40.098 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 632 | A | 364 | LYS | 0 | 0.103 | -0.065 | 40.610 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 633 | A | 364 | LYS | 1 | 0.774 | 1.010 | 40.973 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 634 | A | 365 | GLU | 0 | 0.016 | -0.129 | 37.943 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 635 | A | 365 | GLU | -1 | -0.865 | -0.804 | 35.304 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 636 | A | 366 | ALA | 0 | 0.112 | -0.087 | 39.473 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 637 | A | 366 | ALA | 0 | -0.052 | 0.125 | 39.176 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 638 | A | 367 | CYS | 0 | 0.116 | -0.085 | 40.337 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 639 | A | 367 | CYS | 0 | -0.167 | 0.093 | 44.443 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 640 | A | 368 | ASN | 0 | 0.016 | -0.115 | 42.977 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 641 | A | 368 | ASN | 0 | -0.080 | 0.074 | 41.951 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 642 | A | 369 | ALA | 0 | 0.150 | -0.078 | 40.488 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 643 | A | 369 | ALA | 0 | -0.074 | 0.118 | 39.749 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 644 | A | 370 | ILE | 0 | 0.063 | -0.121 | 41.867 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 645 | A | 370 | ILE | 0 | -0.084 | 0.127 | 42.677 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 646 | A | 371 | LYS | 0 | 0.086 | -0.089 | 44.494 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 647 | A | 371 | LYS | 1 | 0.784 | 1.024 | 46.919 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 648 | A | 372 | GLU | 0 | 0.082 | -0.106 | 44.839 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 649 | A | 372 | GLU | -1 | -0.960 | -0.856 | 42.649 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 650 | A | 373 | ALA | 0 | 0.103 | -0.072 | 44.854 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 651 | A | 373 | ALA | 0 | -0.051 | 0.113 | 43.880 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 652 | A | 374 | GLN | 0 | 0.116 | -0.081 | 45.691 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 653 | A | 374 | GLN | 0 | -0.049 | 0.106 | 49.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 654 | A | 375 | GLY | 0 | -0.125 | -0.142 | 49.050 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 655 | A | 376 | SER | 0 | -0.080 | -0.035 | 47.659 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 656 | A | 376 | SER | 0 | -0.042 | 0.060 | 47.050 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 657 | A | 377 | GLY | 0 | -0.084 | -0.142 | 49.129 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 658 | A | 378 | VAL | 0 | 0.072 | -0.021 | 47.206 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 659 | A | 378 | VAL | 0 | -0.086 | 0.117 | 45.443 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 660 | A | 379 | GLU | 0 | 0.086 | -0.116 | 48.684 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 661 | A | 379 | GLU | -1 | -1.035 | -0.851 | 50.252 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 662 | A | 380 | LEU | 0 | 0.034 | -0.131 | 48.377 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 663 | A | 380 | LEU | 0 | -0.138 | 0.103 | 47.470 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 664 | A | 381 | SER | 0 | 0.032 | -0.098 | 48.189 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 665 | A | 381 | SER | 0 | -0.021 | 0.055 | 47.550 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 666 | A | 382 | PRO | 0 | 0.017 | -0.116 | 49.575 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 667 | A | 383 | ASP | 0 | 0.060 | 0.039 | 46.851 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 668 | A | 383 | ASP | -1 | -0.843 | -0.792 | 46.204 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 669 | A | 384 | TYR | 0 | 0.139 | -0.081 | 46.271 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 670 | A | 384 | TYR | 0 | -0.150 | 0.036 | 41.098 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 671 | A | 385 | VAL | 0 | 0.084 | -0.115 | 47.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 672 | A | 385 | VAL | 0 | -0.121 | 0.083 | 51.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 673 | A | 386 | GLU | 0 | 0.052 | -0.097 | 50.427 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 674 | A | 386 | GLU | -1 | -0.992 | -0.857 | 49.336 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 675 | A | 387 | PHE | 0 | 0.121 | -0.060 | 46.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 676 | A | 387 | PHE | 0 | -0.082 | 0.076 | 42.411 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 677 | A | 388 | VAL | 0 | 0.072 | -0.098 | 47.735 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 678 | A | 388 | VAL | 0 | -0.132 | 0.057 | 47.459 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 679 | A | 389 | GLU | 0 | 0.060 | -0.107 | 49.034 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 680 | A | 389 | GLU | -1 | -1.065 | -0.882 | 52.958 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 681 | A | 390 | ALA | 0 | 0.028 | -0.150 | 50.002 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 682 | A | 390 | ALA | 0 | -0.070 | 0.118 | 49.076 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 683 | A | 391 | TYR | 0 | 0.029 | -0.084 | 47.488 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 684 | A | 391 | TYR | 0 | -0.063 | 0.081 | 44.210 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 685 | A | 392 | SER | 0 | -0.126 | -0.171 | 48.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 686 | A | 392 | SER | 0 | 0.016 | 0.030 | 49.694 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |