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: 49RVN
Calculation Name: 4JDM-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 4JDM
Chain ID: A
Base Structure: X-ray
Registration Date: 2023-06-21
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptAll |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Structure Preparation |
| Water | No |
| Procedure | Auto-FMO protocol ver. 2.20220422 |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 263 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -2247167.634362 |
|---|---|
| FMO2-HF: Nuclear repulsion | 2149700.48817 |
| FMO2-HF: Total energy | -97467.146192 |
| FMO2-MP2: Total energy | -97749.767923 |
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:GLY)
Summations of interaction energy for
fragment #1(A:2:GLY)
| 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. |
| -12.774 | -13.474 | 10.036 | -5.304 | -4.032 | -0.057 |
Interaction energy analysis for fragmet #1(A:2:GLY)
| frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 3 | A | 4 | SER | 0 | -0.031 | -0.011 | 3.866 | -0.434 | 0.556 | -0.012 | -0.568 | -0.410 | 0.001 |
| 4 | A | 5 | GLY | 0 | 0.006 | 0.011 | 6.814 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 5 | A | 6 | PHE | 0 | -0.001 | -0.008 | 10.249 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 7 | TYR | 0 | -0.009 | -0.008 | 10.866 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 8 | LEU | 0 | -0.004 | 0.003 | 13.039 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 9 | TYR | 0 | 0.019 | 0.023 | 13.449 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 10 | ASN | 0 | -0.017 | -0.011 | 15.386 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 11 | THR | 0 | 0.017 | -0.004 | 18.899 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 12 | GLU | -1 | -0.934 | -0.962 | 17.313 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 13 | ASN | 0 | -0.052 | -0.021 | 16.511 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 14 | CYS | 0 | -0.013 | -0.003 | 12.894 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 15 | VAL | 0 | 0.000 | 0.002 | 11.157 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 16 | PHE | 0 | -0.018 | -0.018 | 5.258 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 17 | ALA | 0 | 0.024 | -0.010 | 5.688 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 18 | ASP | -1 | -0.848 | -0.904 | 1.922 | -13.990 | -15.746 | 10.049 | -4.727 | -3.566 | -0.058 |
| 18 | A | 19 | ASN | 0 | -0.050 | -0.029 | 4.691 | 0.699 | 0.765 | -0.001 | -0.009 | -0.056 | 0.000 |
| 19 | A | 20 | ILE | 0 | 0.015 | 0.004 | 8.569 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 21 | LYS | 1 | 0.890 | 0.926 | 11.830 | 0.409 | 0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 22 | VAL | 0 | -0.006 | -0.017 | 15.273 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 23 | GLY | 0 | 0.006 | -0.014 | 18.373 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 24 | GLN | 0 | -0.014 | -0.012 | 22.183 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 25 | MET | 0 | -0.047 | 0.026 | 16.029 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 26 | THR | 0 | 0.062 | 0.025 | 20.254 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 27 | GLU | -1 | -0.880 | -0.925 | 16.670 | -0.373 | -0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 28 | PRO | 0 | 0.032 | 0.005 | 12.215 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 29 | LEU | 0 | 0.033 | 0.034 | 13.220 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 30 | LYS | 1 | 0.794 | 0.875 | 13.677 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 31 | ASP | -1 | -0.766 | -0.890 | 16.088 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 32 | GLN | 0 | -0.053 | -0.032 | 17.753 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 33 | GLN | 0 | 0.003 | 0.022 | 17.642 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 34 | ILE | 0 | 0.019 | 0.006 | 17.545 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 35 | ILE | 0 | 0.012 | -0.002 | 15.504 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 36 | LEU | 0 | 0.006 | 0.012 | 19.694 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 37 | GLY | 0 | 0.018 | 0.007 | 23.474 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 38 | THR | 0 | 0.027 | 0.002 | 25.617 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 39 | LYS | 1 | 0.953 | 0.976 | 28.782 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 40 | SER | 0 | -0.038 | -0.021 | 29.438 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 41 | THR | 0 | 0.028 | 0.024 | 24.576 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 42 | PRO | 0 | 0.008 | 0.009 | 21.490 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 43 | VAL | 0 | 0.019 | 0.014 | 23.100 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 44 | ALA | 0 | 0.026 | 0.018 | 19.695 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 45 | ALA | 0 | -0.015 | -0.007 | 21.287 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 46 | LYS | 1 | 0.863 | 0.915 | 21.224 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 47 | MET | 0 | -0.014 | 0.006 | 23.445 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 48 | THR | 0 | -0.029 | -0.020 | 25.497 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 49 | ALA | 0 | 0.017 | 0.013 | 28.709 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 50 | SER | 0 | -0.046 | -0.036 | 32.135 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 51 | ASP | -1 | -0.862 | -0.931 | 35.618 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 52 | GLY | 0 | 0.002 | -0.014 | 37.404 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 53 | ILE | 0 | -0.044 | 0.000 | 32.273 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 54 | SER | 0 | -0.022 | -0.013 | 31.662 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 55 | LEU | 0 | 0.042 | 0.004 | 25.481 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 56 | THR | 0 | -0.047 | 0.000 | 26.509 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 57 | VAL | 0 | 0.037 | 0.001 | 21.119 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 58 | SER | 0 | 0.002 | 0.007 | 19.930 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 59 | ASN | 0 | 0.002 | -0.011 | 16.303 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 60 | ASN | 0 | 0.002 | 0.002 | 15.164 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 61 | SER | 0 | 0.005 | 0.003 | 16.026 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 62 | SER | 0 | 0.023 | 0.006 | 11.648 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 63 | THR | 0 | -0.035 | -0.005 | 13.548 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 64 | ASN | 0 | -0.005 | -0.019 | 15.429 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 65 | ALA | 0 | -0.011 | 0.022 | 15.912 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 66 | SER | 0 | -0.034 | -0.011 | 17.891 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 67 | ILE | 0 | 0.018 | -0.010 | 21.088 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 68 | THR | 0 | -0.062 | -0.023 | 23.626 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 69 | ILE | 0 | 0.036 | 0.011 | 27.451 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 70 | GLY | 0 | 0.012 | 0.002 | 30.555 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 71 | LEU | 0 | 0.012 | 0.007 | 34.386 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 72 | ASP | -1 | -0.776 | -0.879 | 36.701 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 73 | ALA | 0 | -0.012 | 0.004 | 38.194 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 74 | GLU | -1 | -0.850 | -0.931 | 41.313 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 75 | LYS | 1 | 0.841 | 0.917 | 37.741 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 76 | ALA | 0 | 0.012 | 0.010 | 40.757 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 77 | TYR | 0 | -0.015 | -0.011 | 42.621 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 78 | GLN | 0 | -0.014 | -0.014 | 45.609 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 79 | LEU | 0 | 0.003 | -0.014 | 42.035 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 80 | ILE | 0 | -0.028 | 0.004 | 45.593 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 81 | LEU | 0 | 0.014 | 0.006 | 48.144 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 82 | GLU | -1 | -0.925 | -0.948 | 47.899 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 83 | LYS | 1 | 0.806 | 0.888 | 48.653 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 84 | LEU | 0 | 0.003 | 0.000 | 50.702 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 85 | GLY | 0 | -0.002 | 0.006 | 53.612 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 86 | ASN | 0 | -0.067 | -0.018 | 54.946 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 87 | GLN | 0 | 0.060 | 0.027 | 57.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 88 | ILE | 0 | -0.032 | -0.006 | 53.681 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 89 | LEU | 0 | 0.014 | -0.001 | 56.774 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 90 | ASP | -1 | -0.868 | -0.943 | 59.259 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 91 | GLY | 0 | 0.041 | 0.025 | 60.704 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 92 | ILE | 0 | -0.035 | -0.017 | 56.708 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 93 | ALA | 0 | -0.012 | -0.003 | 60.376 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 94 | ASP | -1 | -0.880 | -0.940 | 63.542 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 95 | THR | 0 | -0.056 | -0.039 | 61.922 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 96 | ILE | 0 | -0.027 | -0.009 | 61.361 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 97 | VAL | 0 | 0.013 | 0.025 | 64.413 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 98 | ASP | -1 | -0.869 | -0.930 | 67.677 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 99 | SER | 0 | -0.128 | -0.069 | 65.595 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 100 | THR | 0 | -0.036 | -0.037 | 66.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 101 | VAL | 0 | -0.006 | -0.004 | 69.423 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 102 | GLN | 0 | -0.038 | -0.022 | 71.192 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 103 | ASP | -1 | -0.793 | -0.861 | 70.182 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 104 | ILE | 0 | -0.001 | -0.007 | 72.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 105 | LEU | 0 | -0.006 | -0.002 | 75.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 106 | ASP | -1 | -0.844 | -0.913 | 74.075 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 107 | LYS | 1 | 0.789 | 0.885 | 72.272 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 108 | ILE | 0 | -0.030 | -0.015 | 77.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 109 | THR | 0 | -0.094 | -0.061 | 79.880 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 110 | THR | 0 | -0.080 | -0.054 | 79.148 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 111 | ASP | -1 | -0.778 | -0.871 | 79.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 112 | PRO | 0 | -0.008 | 0.006 | 81.986 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 113 | SER | 0 | -0.069 | -0.068 | 82.480 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 114 | LEU | 0 | -0.031 | -0.001 | 80.831 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 115 | GLY | 0 | -0.004 | 0.011 | 84.962 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 116 | LEU | 0 | -0.013 | -0.023 | 84.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 117 | LEU | 0 | 0.013 | 0.007 | 84.754 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 118 | LYS | 1 | 0.945 | 0.985 | 88.167 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 119 | ALA | 0 | -0.028 | -0.025 | 91.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 120 | PHE | 0 | 0.012 | -0.013 | 94.220 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 121 | ASN | 0 | -0.015 | 0.002 | 97.101 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 122 | ASN | 0 | 0.017 | -0.020 | 100.092 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 123 | PHE | 0 | -0.009 | 0.006 | 101.150 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 124 | PRO | 0 | 0.006 | 0.012 | 105.917 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 125 | ILE | 0 | -0.010 | -0.007 | 108.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 126 | THR | 0 | 0.005 | -0.006 | 111.602 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 127 | ASN | 0 | 0.014 | 0.012 | 114.273 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 128 | LYS | 1 | 0.812 | 0.911 | 116.482 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 129 | ILE | 0 | -0.012 | -0.010 | 115.747 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 130 | GLN | 0 | 0.003 | 0.013 | 120.423 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 131 | CYS | 0 | -0.028 | -0.012 | 120.629 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 132 | ASN | 0 | -0.028 | -0.033 | 122.876 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 133 | GLY | 0 | 0.038 | 0.038 | 123.076 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 134 | LEU | 0 | -0.009 | -0.007 | 123.950 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 135 | PHE | 0 | -0.004 | 0.014 | 117.813 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 136 | THR | 0 | 0.022 | -0.010 | 123.777 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 137 | PRO | 0 | 0.060 | 0.019 | 123.991 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 138 | SER | 0 | -0.018 | -0.009 | 123.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 139 | ASN | 0 | -0.034 | -0.012 | 121.659 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 140 | ILE | 0 | 0.040 | 0.032 | 119.180 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 141 | GLU | -1 | -0.825 | -0.888 | 117.205 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 142 | THR | 0 | -0.032 | -0.026 | 116.768 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 143 | LEU | 0 | 0.007 | -0.003 | 111.839 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 144 | LEU | 0 | -0.019 | -0.008 | 115.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 145 | GLY | 0 | 0.006 | 0.016 | 118.386 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 146 | GLY | 0 | -0.018 | -0.005 | 118.607 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 147 | THR | 0 | 0.012 | 0.001 | 119.025 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 148 | GLU | -1 | -0.843 | -0.906 | 111.835 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 149 | ILE | 0 | 0.009 | -0.009 | 113.832 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 150 | GLY | 0 | -0.001 | -0.002 | 111.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 151 | LYS | 1 | 0.826 | 0.899 | 106.376 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 152 | PHE | 0 | 0.017 | 0.006 | 104.486 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 153 | THR | 0 | 0.018 | 0.021 | 98.513 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 154 | VAL | 0 | -0.003 | 0.014 | 98.305 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 155 | THR | 0 | -0.011 | -0.023 | 92.258 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 156 | PRO | 0 | -0.042 | 0.010 | 93.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 157 | LYS | 1 | 0.871 | 0.920 | 88.714 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 158 | SER | 0 | 0.022 | 0.017 | 88.209 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 159 | SER | 0 | -0.005 | -0.016 | 87.550 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 160 | GLY | 0 | -0.038 | -0.026 | 90.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 161 | SER | 0 | -0.028 | -0.025 | 92.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 162 | MET | 0 | 0.012 | 0.008 | 94.780 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 163 | PHE | 0 | 0.015 | 0.011 | 96.527 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 164 | LEU | 0 | -0.010 | 0.010 | 100.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 165 | VAL | 0 | 0.002 | -0.007 | 102.951 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 166 | SER | 0 | -0.069 | -0.063 | 105.652 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 167 | ALA | 0 | 0.028 | 0.032 | 108.106 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 168 | ASP | -1 | -0.808 | -0.865 | 110.700 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 169 | ILE | 0 | 0.006 | -0.010 | 113.116 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 170 | ILE | 0 | 0.006 | 0.014 | 116.096 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 171 | ALA | 0 | 0.026 | 0.000 | 118.939 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 172 | SER | 0 | -0.023 | -0.015 | 121.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 173 | ARG | 1 | 0.808 | 0.889 | 125.760 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 174 | MET | 0 | 0.002 | 0.001 | 128.689 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 175 | GLU | -1 | -0.813 | -0.882 | 131.676 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 176 | GLY | 0 | 0.046 | 0.041 | 130.518 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 177 | GLY | 0 | 0.013 | 0.006 | 126.724 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 178 | VAL | 0 | -0.023 | -0.016 | 121.307 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 179 | VAL | 0 | -0.008 | 0.001 | 119.764 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 180 | LEU | 0 | -0.003 | -0.001 | 115.842 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 181 | ALA | 0 | 0.013 | -0.002 | 114.785 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 182 | LEU | 0 | -0.011 | 0.008 | 106.884 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 183 | VAL | 0 | 0.018 | -0.007 | 110.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 184 | ARG | 1 | 0.855 | 0.900 | 101.831 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 185 | GLU | -1 | -0.908 | -0.974 | 104.459 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 186 | GLY | 0 | 0.015 | 0.002 | 104.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 187 | ASP | -1 | -0.851 | -0.873 | 105.906 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 188 | SER | 0 | 0.001 | -0.014 | 108.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 189 | LYS | 1 | 0.805 | 0.880 | 111.731 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 190 | PRO | 0 | -0.016 | -0.006 | 111.491 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 191 | CYS | 0 | -0.015 | 0.000 | 107.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 192 | ALA | 0 | -0.027 | -0.013 | 109.739 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 193 | ILE | 0 | 0.015 | 0.002 | 111.814 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 194 | SER | 0 | -0.052 | -0.034 | 115.046 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 195 | TYR | 0 | 0.028 | 0.004 | 117.075 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 196 | GLY | 0 | 0.017 | 0.004 | 119.825 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 197 | TYR | 0 | -0.076 | -0.063 | 122.150 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 198 | SER | 0 | 0.018 | -0.001 | 125.018 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 199 | SER | 0 | 0.085 | 0.043 | 127.529 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 200 | GLY | 0 | 0.020 | 0.007 | 130.050 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 201 | VAL | 0 | -0.026 | 0.014 | 128.121 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 202 | PRO | 0 | -0.022 | -0.022 | 123.502 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 203 | ASN | 0 | -0.027 | -0.012 | 122.982 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 204 | LEU | 0 | -0.016 | 0.006 | 115.273 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 205 | CYS | 0 | -0.063 | -0.012 | 118.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 206 | SER | 0 | 0.035 | -0.018 | 113.987 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 207 | LEU | 0 | -0.048 | -0.004 | 110.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 208 | ARG | 1 | 0.885 | 0.946 | 106.966 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 209 | THR | 0 | 0.042 | 0.017 | 106.945 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 210 | SER | 0 | -0.024 | -0.019 | 103.080 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 211 | ILE | 0 | -0.001 | 0.019 | 102.141 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 212 | THR | 0 | 0.015 | -0.008 | 98.158 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 213 | ASN | 0 | -0.020 | -0.012 | 95.911 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 214 | THR | 0 | 0.008 | -0.015 | 96.231 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 215 | GLY | 0 | 0.000 | 0.003 | 92.439 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 216 | LEU | 0 | -0.018 | 0.007 | 87.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 217 | THR | 0 | 0.036 | 0.011 | 90.763 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 218 | PRO | 0 | -0.041 | -0.025 | 92.917 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 219 | THR | 0 | -0.023 | 0.004 | 96.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 220 | THR | 0 | -0.010 | -0.013 | 99.286 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 221 | TYR | 0 | 0.008 | 0.002 | 100.730 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 222 | SER | 0 | -0.011 | 0.000 | 105.934 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 223 | LEU | 0 | -0.004 | 0.008 | 109.411 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 224 | ARG | 1 | 0.836 | 0.919 | 112.302 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 225 | VAL | 0 | 0.041 | 0.004 | 115.945 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 226 | GLY | 0 | 0.048 | 0.019 | 119.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 227 | GLY | 0 | 0.012 | 0.016 | 122.759 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 228 | LEU | 0 | -0.008 | -0.010 | 124.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 229 | GLU | -1 | -0.920 | -0.971 | 126.674 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 230 | SER | 0 | -0.048 | -0.017 | 128.962 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 231 | GLY | 0 | 0.007 | 0.009 | 129.586 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 232 | VAL | 0 | 0.001 | -0.006 | 127.021 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 233 | VAL | 0 | -0.025 | -0.007 | 122.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 234 | TRP | 0 | 0.018 | 0.024 | 123.761 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 235 | VAL | 0 | 0.020 | 0.006 | 117.400 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 236 | ASN | 0 | -0.059 | -0.039 | 115.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 237 | ALA | 0 | 0.016 | 0.007 | 119.781 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 238 | LEU | 0 | 0.023 | 0.000 | 123.531 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 239 | SER | 0 | -0.024 | -0.017 | 127.001 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 240 | ASN | 0 | -0.025 | -0.032 | 129.065 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 241 | GLY | 0 | 0.044 | 0.029 | 126.280 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 242 | ASN | 0 | -0.018 | -0.005 | 126.024 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 243 | ASP | -1 | -0.808 | -0.889 | 122.559 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 244 | ILE | 0 | 0.004 | 0.011 | 121.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 245 | LEU | 0 | -0.022 | -0.024 | 122.802 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 246 | GLY | 0 | -0.010 | 0.003 | 124.870 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 247 | ILE | 0 | -0.046 | -0.012 | 119.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 248 | THR | 0 | 0.039 | 0.013 | 116.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 249 | ASN | 0 | -0.013 | -0.001 | 117.270 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 250 | THR | 0 | -0.016 | -0.037 | 111.009 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 251 | SER | 0 | 0.032 | 0.037 | 113.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 252 | ASN | 0 | -0.012 | -0.009 | 108.738 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 253 | VAL | 0 | 0.032 | 0.024 | 106.943 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 254 | SER | 0 | -0.046 | -0.010 | 103.958 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 255 | PHE | 0 | 0.022 | 0.001 | 101.026 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 256 | LEU | 0 | -0.002 | -0.002 | 97.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 257 | GLU | -1 | -0.749 | -0.832 | 93.110 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 258 | VAL | 0 | -0.052 | -0.033 | 96.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 259 | ILE | 0 | 0.016 | 0.007 | 91.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 260 | PRO | 0 | -0.004 | 0.010 | 94.796 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 261 | GLN | 0 | -0.011 | -0.018 | 92.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 262 | THR | 0 | -0.012 | -0.012 | 96.479 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 263 | ASN | 0 | 0.000 | 0.010 | 98.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 264 | ALA | 0 | 0.007 | 0.012 | 101.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |