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: ZV29N
Calculation Name: 3NAP-C-Xray372
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 3NAP
Chain ID: C
UniProt ID: Q9QEY5
Base Structure: X-ray
Registration Date: 2023-09-20
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptAll |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Structure Preparation |
| Water | No |
| Procedure | Auto-FMO protocol ver. 2.20220422 |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 276 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -3353354.106687 |
|---|---|
| FMO2-HF: Nuclear repulsion | 3246160.452325 |
| FMO2-HF: Total energy | -107193.654362 |
| FMO2-MP2: Total energy | -107511.832545 |
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(C:1:SER)
Summations of interaction energy for
fragment #1(C:1:SER)
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| -4.376 | -0.734 | 0.476 | -1.98 | -2.138 | 0.011 |
Interaction energy analysis for fragmet #1(C:1:SER)
| frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 3 | C | 3 | PRO | 0 | 0.012 | 0.023 | 2.725 | -3.691 | -0.051 | 0.477 | -1.976 | -2.141 | 0.011 |
| 4 | C | 4 | LEU | 0 | 0.007 | 0.005 | 5.269 | -0.756 | -0.754 | -0.001 | -0.004 | 0.003 | 0.000 |
| 5 | C | 5 | THR | 0 | 0.000 | -0.006 | 9.032 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | C | 6 | THR | 0 | 0.025 | -0.001 | 10.757 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | C | 7 | ILE | 0 | -0.016 | 0.006 | 13.057 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | C | 8 | PRO | 0 | 0.009 | 0.015 | 15.454 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | C | 9 | PRO | 0 | 0.006 | -0.015 | 18.940 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | C | 10 | THR | 0 | -0.004 | 0.004 | 21.412 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | C | 11 | ILE | 0 | -0.011 | -0.003 | 23.947 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | C | 12 | VAL | 0 | 0.011 | 0.006 | 25.902 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | C | 13 | VAL | 0 | -0.022 | -0.020 | 28.792 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | C | 14 | GLN | 0 | 0.017 | 0.014 | 29.050 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | C | 15 | ARG | 1 | 0.909 | 0.938 | 33.210 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | C | 16 | PRO | 0 | -0.002 | 0.014 | 35.251 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | C | 17 | SER | 0 | 0.042 | 0.015 | 37.540 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | C | 18 | GLN | 0 | 0.000 | 0.000 | 35.801 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | C | 19 | TYR | 0 | 0.023 | 0.012 | 35.636 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | C | 20 | PHE | 0 | -0.003 | 0.014 | 40.685 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | C | 21 | ASN | 0 | -0.025 | -0.007 | 42.907 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | C | 22 | ASN | 0 | -0.099 | -0.058 | 42.789 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | C | 23 | ALA | 0 | 0.008 | 0.010 | 44.941 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | C | 24 | ASP | -1 | -0.867 | -0.925 | 42.395 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | C | 25 | GLY | 0 | 0.019 | 0.005 | 38.398 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | C | 26 | VAL | 0 | -0.026 | -0.028 | 32.975 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | C | 27 | ASP | -1 | -0.829 | -0.910 | 35.687 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | C | 28 | GLN | 0 | -0.106 | -0.070 | 31.738 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | C | 29 | GLY | 0 | 0.029 | 0.034 | 33.785 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | C | 30 | LEU | 0 | -0.044 | -0.032 | 31.363 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | C | 31 | PRO | 0 | -0.010 | 0.013 | 33.185 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | C | 32 | LEU | 0 | 0.015 | -0.008 | 35.215 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | C | 33 | SER | 0 | -0.013 | -0.002 | 35.898 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | C | 34 | LEU | 0 | -0.011 | -0.013 | 33.288 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | C | 35 | LYS | 1 | 0.907 | 0.947 | 32.148 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | C | 36 | TYR | 0 | 0.079 | 0.042 | 30.399 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | C | 37 | GLY | 0 | 0.036 | 0.021 | 32.221 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | C | 38 | ASN | 0 | -0.112 | -0.053 | 33.755 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | C | 39 | GLU | -1 | -0.883 | -0.937 | 37.199 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | C | 40 | VAL | 0 | -0.049 | -0.027 | 39.995 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | C | 41 | ILE | 0 | 0.008 | 0.005 | 43.214 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | C | 42 | LEU | 0 | 0.076 | 0.038 | 44.918 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | C | 43 | LYS | 1 | 0.856 | 0.921 | 47.579 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | C | 44 | THR | 0 | 0.024 | 0.030 | 50.510 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | C | 45 | PRO | 0 | 0.008 | -0.004 | 53.410 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | C | 46 | PHE | 0 | -0.008 | -0.022 | 53.428 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | C | 47 | ALA | 0 | 0.026 | 0.014 | 56.209 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | C | 48 | GLY | 0 | -0.017 | 0.004 | 59.098 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | C | 49 | THR | 0 | -0.027 | -0.025 | 59.782 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | C | 50 | SER | 0 | -0.030 | -0.029 | 57.320 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | C | 51 | SER | 0 | -0.035 | -0.022 | 57.752 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | C | 52 | ASP | -1 | -0.791 | -0.900 | 53.803 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | C | 53 | GLU | -1 | -0.848 | -0.895 | 56.211 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | C | 54 | MET | 0 | -0.042 | -0.022 | 52.547 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | C | 55 | ALA | 0 | 0.001 | 0.021 | 55.971 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | C | 56 | LEU | 0 | 0.002 | -0.014 | 56.813 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | C | 57 | GLU | -1 | -0.839 | -0.898 | 59.200 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | C | 58 | TYR | 0 | -0.048 | -0.043 | 60.271 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | C | 59 | VAL | 0 | 0.005 | -0.010 | 59.364 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | C | 60 | LEU | 0 | -0.033 | -0.016 | 61.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | C | 61 | LYS | 1 | 0.796 | 0.883 | 64.130 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | C | 62 | ILE | 0 | -0.009 | 0.014 | 64.887 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | C | 63 | PRO | 0 | -0.029 | -0.005 | 68.013 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | C | 64 | ASN | 0 | 0.027 | 0.008 | 68.608 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | C | 65 | TYR | 0 | 0.002 | -0.008 | 72.680 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | C | 66 | PHE | 0 | 0.021 | -0.003 | 75.189 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | C | 67 | SER | 0 | 0.012 | 0.019 | 77.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | C | 68 | ARG | 1 | 0.840 | 0.905 | 80.795 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | C | 69 | PHE | 0 | 0.011 | 0.021 | 84.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | C | 70 | LYS | 1 | 0.857 | 0.909 | 87.864 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | C | 71 | TYR | 0 | 0.015 | -0.009 | 91.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | C | 72 | SER | 0 | 0.034 | 0.008 | 93.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | C | 73 | SER | 0 | 0.005 | 0.003 | 97.546 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | C | 74 | THR | 0 | -0.004 | -0.010 | 100.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | C | 75 | SER | 0 | -0.055 | -0.012 | 96.426 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | C | 76 | LEU | 0 | 0.051 | 0.018 | 98.405 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | C | 77 | PRO | 0 | 0.021 | -0.003 | 97.961 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | C | 78 | LYS | 1 | 0.819 | 0.891 | 94.277 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | C | 79 | GLN | 0 | -0.005 | 0.031 | 94.554 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | C | 80 | VAL | 0 | 0.039 | 0.010 | 89.005 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | C | 81 | LEU | 0 | -0.093 | -0.049 | 90.001 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | C | 82 | TRP | 0 | -0.011 | -0.030 | 80.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | C | 83 | THR | 0 | 0.045 | 0.017 | 84.035 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | C | 84 | SER | 0 | -0.041 | -0.020 | 77.864 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | C | 85 | PRO | 0 | 0.021 | 0.032 | 76.639 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | C | 86 | VAL | 0 | -0.030 | -0.017 | 73.602 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | C | 87 | HIS | 0 | 0.054 | 0.005 | 70.990 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | C | 88 | PRO | 0 | 0.059 | 0.032 | 66.904 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | C | 89 | GLN | 0 | -0.034 | -0.004 | 65.905 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | C | 90 | ILE | 0 | -0.015 | 0.007 | 70.148 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | C | 91 | ILE | 0 | 0.031 | 0.014 | 71.883 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | C | 92 | ARG | 1 | 0.838 | 0.928 | 74.153 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | C | 93 | ASN | 0 | 0.034 | 0.017 | 75.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | C | 94 | HIS | 1 | 0.816 | 0.885 | 71.496 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | C | 95 | VAL | 0 | 0.021 | 0.002 | 76.641 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | C | 96 | THR | 0 | -0.056 | -0.038 | 75.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | C | 97 | VAL | 0 | -0.008 | 0.001 | 75.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | C | 98 | VAL | 0 | -0.033 | -0.003 | 78.323 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | C | 99 | ASP | -1 | -0.838 | -0.894 | 74.364 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | C | 100 | ALA | 0 | 0.021 | 0.007 | 77.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | C | 101 | PRO | 0 | -0.039 | -0.027 | 72.064 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | C | 102 | GLY | 0 | 0.013 | 0.030 | 73.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | C | 103 | GLN | 0 | -0.036 | -0.026 | 69.041 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | C | 104 | PRO | 0 | 0.030 | 0.023 | 67.527 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | C | 105 | THR | 0 | -0.034 | -0.034 | 70.246 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | C | 106 | LEU | 0 | 0.042 | 0.019 | 63.998 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | C | 107 | LEU | 0 | 0.010 | 0.011 | 65.739 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | C | 108 | ALA | 0 | 0.015 | 0.037 | 66.102 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | C | 109 | TYR | 0 | 0.017 | 0.002 | 60.796 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | C | 110 | ALA | 0 | 0.014 | 0.005 | 61.591 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | C | 111 | THR | 0 | -0.015 | -0.044 | 61.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | C | 112 | GLY | 0 | 0.032 | 0.027 | 62.517 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | C | 113 | PHE | 0 | -0.024 | -0.003 | 57.015 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | C | 114 | PHE | 0 | -0.014 | -0.009 | 55.817 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | C | 115 | LYS | 1 | 0.937 | 0.985 | 59.524 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | C | 116 | TYR | 0 | -0.016 | -0.019 | 59.378 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | C | 117 | TRP | 0 | 0.043 | 0.019 | 61.829 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | C | 118 | ARG | 1 | 0.800 | 0.885 | 61.548 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | C | 119 | GLY | 0 | 0.089 | 0.050 | 65.252 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | C | 120 | GLY | 0 | -0.015 | -0.023 | 66.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | C | 121 | LEU | 0 | -0.028 | -0.019 | 69.211 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | C | 122 | VAL | 0 | 0.001 | 0.010 | 71.039 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | C | 123 | TYR | 0 | 0.047 | 0.008 | 73.528 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | C | 124 | THR | 0 | -0.008 | 0.002 | 76.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | C | 125 | PHE | 0 | -0.013 | 0.005 | 79.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | C | 126 | ARG | 1 | 0.815 | 0.861 | 77.428 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | C | 127 | PHE | 0 | 0.009 | -0.008 | 84.206 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | C | 128 | VAL | 0 | -0.004 | -0.004 | 87.135 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | C | 129 | LYS | 1 | 0.791 | 0.895 | 89.543 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | C | 130 | THR | 0 | 0.031 | -0.003 | 92.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | C | 131 | ASN | 0 | -0.020 | -0.036 | 93.833 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | C | 132 | TYR | 0 | -0.013 | -0.002 | 96.435 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | C | 133 | HIS | 0 | -0.017 | 0.002 | 95.994 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | C | 134 | SER | 0 | 0.021 | 0.007 | 97.110 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | C | 135 | GLY | 0 | -0.019 | -0.006 | 96.530 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | C | 136 | ARG | 1 | 0.851 | 0.937 | 94.372 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | C | 137 | VAL | 0 | 0.036 | 0.024 | 89.659 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | C | 138 | GLN | 0 | -0.011 | -0.002 | 89.396 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | C | 139 | ILE | 0 | 0.010 | 0.015 | 83.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | C | 140 | THR | 0 | -0.010 | -0.029 | 84.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | C | 141 | PHE | 0 | 0.016 | 0.003 | 76.607 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | C | 142 | HIS | 0 | 0.057 | 0.042 | 81.816 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | C | 143 | PRO | 0 | 0.004 | 0.003 | 77.980 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | C | 144 | PHE | 0 | -0.052 | -0.053 | 74.683 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | C | 145 | VAL | 0 | 0.008 | 0.010 | 79.263 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | C | 146 | GLY | 0 | -0.007 | 0.005 | 81.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | C | 147 | TYR | 0 | -0.077 | -0.077 | 82.245 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | C | 148 | ASP | -1 | -0.889 | -0.959 | 84.838 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | C | 149 | ASP | -1 | -0.808 | -0.902 | 84.302 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | C | 150 | VAL | 0 | -0.076 | -0.031 | 85.329 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | C | 151 | MET | 0 | -0.054 | -0.033 | 88.176 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | C | 152 | ASP | -1 | -0.799 | -0.888 | 91.633 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | C | 153 | SER | 0 | -0.046 | -0.057 | 94.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | C | 154 | ASP | -1 | -0.928 | -0.934 | 97.311 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | C | 155 | GLY | 0 | -0.007 | 0.002 | 94.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | C | 156 | LYS | 1 | 0.804 | 0.897 | 94.535 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | C | 157 | ILE | 0 | -0.013 | 0.002 | 88.273 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | C | 158 | VAL | 0 | -0.002 | -0.003 | 91.005 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | C | 159 | ARG | 1 | 0.916 | 0.961 | 89.356 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | C | 160 | ASP | -1 | -0.700 | -0.832 | 89.105 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | C | 161 | GLU | -1 | -0.928 | -0.983 | 89.546 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | C | 162 | TYR | 0 | -0.046 | -0.019 | 87.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | C | 163 | VAL | 0 | -0.018 | 0.006 | 84.309 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | C | 164 | TYR | 0 | 0.007 | 0.009 | 79.697 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | C | 165 | ARG | 1 | 0.843 | 0.892 | 83.511 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | C | 166 | VAL | 0 | 0.004 | 0.013 | 82.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | C | 167 | VAL | 0 | -0.005 | -0.005 | 86.239 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | C | 168 | VAL | 0 | -0.008 | -0.005 | 86.954 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | C | 169 | ASP | -1 | -0.779 | -0.872 | 90.104 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | C | 170 | LEU | 0 | -0.018 | 0.004 | 89.311 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | C | 171 | ARG | 1 | 0.877 | 0.903 | 93.068 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | C | 172 | ASP | -1 | -0.802 | -0.895 | 92.818 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | C | 173 | GLN | 0 | -0.060 | -0.031 | 88.754 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | C | 174 | THR | 0 | 0.018 | 0.009 | 87.195 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | C | 175 | GLU | -1 | -0.844 | -0.886 | 80.252 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | C | 176 | ALA | 0 | 0.001 | 0.008 | 83.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | C | 177 | THR | 0 | -0.007 | -0.022 | 76.892 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | C | 178 | LEU | 0 | -0.017 | 0.002 | 78.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | C | 179 | VAL | 0 | 0.033 | 0.009 | 72.108 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | C | 180 | VAL | 0 | -0.015 | 0.007 | 74.938 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | C | 181 | PRO | 0 | 0.040 | 0.021 | 72.294 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | C | 182 | PHE | 0 | -0.007 | 0.009 | 67.470 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | C | 183 | THR | 0 | -0.017 | -0.012 | 70.919 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | C | 184 | SER | 0 | 0.016 | -0.017 | 69.024 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | C | 185 | LEU | 0 | -0.009 | 0.010 | 71.219 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | C | 186 | THR | 0 | -0.026 | -0.018 | 66.528 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | C | 187 | PRO | 0 | 0.007 | -0.003 | 62.927 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | C | 188 | TYR | 0 | -0.031 | -0.025 | 58.871 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | C | 189 | LYS | 1 | 0.844 | 0.948 | 64.771 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | C | 190 | VAL | 0 | -0.026 | -0.020 | 65.103 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | C | 191 | CYS | 0 | -0.026 | -0.016 | 63.516 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | C | 192 | ALA | 0 | -0.010 | -0.017 | 66.647 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | C | 193 | ASP | -1 | -0.833 | -0.903 | 67.019 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | C | 194 | VAL | 0 | -0.024 | -0.002 | 68.885 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | C | 195 | PHE | 0 | -0.044 | -0.026 | 70.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | C | 196 | ASN | 0 | -0.011 | -0.015 | 73.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | C | 197 | SER | 0 | -0.008 | -0.023 | 74.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | C | 198 | ALA | 0 | -0.034 | -0.016 | 77.609 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | C | 199 | ASN | 0 | 0.004 | 0.001 | 77.223 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | C | 200 | ARG | 1 | 0.969 | 0.979 | 68.359 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | C | 201 | PRO | 0 | -0.005 | -0.009 | 73.778 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | C | 202 | LYS | 1 | 0.883 | 0.953 | 74.167 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | C | 203 | TYR | 0 | 0.027 | 0.012 | 70.364 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | C | 204 | ASN | 0 | -0.058 | -0.050 | 74.761 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | C | 205 | TYR | 0 | 0.015 | 0.020 | 69.643 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | C | 206 | GLU | -1 | -0.788 | -0.858 | 74.112 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | C | 207 | PRO | 0 | 0.043 | 0.018 | 74.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | C | 208 | ARG | 1 | 0.871 | 0.924 | 70.684 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | C | 209 | ASP | -1 | -0.786 | -0.856 | 76.073 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | C | 210 | PHE | 0 | -0.038 | -0.027 | 73.879 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | C | 211 | LYS | 1 | 0.908 | 0.961 | 80.013 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | C | 212 | VAL | 0 | 0.032 | 0.019 | 82.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | C | 213 | TYR | 0 | -0.035 | 0.014 | 75.152 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | C | 214 | ASP | -1 | -0.788 | -0.875 | 78.876 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | C | 215 | ASN | 0 | 0.003 | 0.004 | 75.640 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | C | 216 | THR | 0 | -0.077 | -0.045 | 74.813 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | C | 217 | THR | 0 | -0.005 | -0.020 | 75.266 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | C | 218 | ASP | -1 | -0.853 | -0.939 | 73.717 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | C | 219 | GLN | 0 | -0.062 | -0.039 | 69.278 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | C | 220 | PHE | 0 | -0.037 | -0.018 | 68.586 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | C | 221 | PHE | 0 | -0.022 | -0.004 | 70.901 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | C | 222 | THR | 0 | 0.021 | 0.005 | 72.031 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | C | 223 | GLY | 0 | 0.009 | 0.014 | 74.463 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | C | 224 | THR | 0 | -0.008 | -0.014 | 78.049 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | C | 225 | LEU | 0 | -0.044 | -0.004 | 78.512 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | C | 226 | CYS | 0 | 0.000 | -0.002 | 81.222 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | C | 227 | VAL | 0 | -0.001 | 0.003 | 84.931 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | C | 228 | SER | 0 | 0.055 | 0.018 | 87.498 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | C | 229 | ALA | 0 | 0.011 | 0.011 | 91.277 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | C | 230 | LEU | 0 | -0.053 | -0.027 | 93.600 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | C | 231 | THR | 0 | -0.030 | -0.024 | 96.645 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | C | 232 | PRO | 0 | 0.049 | 0.052 | 97.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | C | 233 | LEU | 0 | -0.037 | -0.010 | 94.697 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | C | 234 | VAL | 0 | -0.005 | -0.003 | 98.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | C | 235 | SER | 0 | 0.006 | -0.009 | 100.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | C | 236 | SER | 0 | 0.022 | 0.017 | 102.133 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | C | 237 | SER | 0 | 0.038 | 0.008 | 104.115 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | C | 238 | ALA | 0 | -0.016 | 0.002 | 105.161 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | C | 239 | VAL | 0 | -0.033 | -0.022 | 103.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | C | 240 | VAL | 0 | -0.025 | -0.002 | 99.324 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | C | 241 | SER | 0 | 0.031 | 0.016 | 97.130 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | C | 242 | SER | 0 | 0.041 | 0.036 | 99.402 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | C | 243 | THR | 0 | -0.012 | -0.018 | 95.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | C | 244 | ILE | 0 | -0.013 | 0.013 | 91.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | C | 245 | ASP | -1 | -0.767 | -0.866 | 88.085 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | C | 246 | VAL | 0 | -0.021 | -0.007 | 85.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | C | 247 | LEU | 0 | -0.001 | -0.001 | 81.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | C | 248 | VAL | 0 | 0.017 | 0.004 | 79.368 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | C | 249 | GLU | -1 | -0.850 | -0.914 | 75.454 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | C | 250 | VAL | 0 | 0.002 | -0.001 | 72.196 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | C | 251 | LYS | 1 | 0.861 | 0.923 | 69.683 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | C | 252 | ALA | 0 | 0.031 | 0.013 | 65.932 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | C | 253 | SER | 0 | -0.044 | -0.033 | 67.973 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | C | 254 | ASP | -1 | -0.856 | -0.929 | 65.149 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | C | 255 | ASP | -1 | -0.865 | -0.909 | 63.668 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | C | 256 | PHE | 0 | -0.094 | -0.031 | 63.856 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | C | 257 | GLU | -1 | -0.786 | -0.865 | 59.101 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | C | 258 | VAL | 0 | -0.023 | -0.020 | 58.783 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | C | 259 | ALA | 0 | 0.007 | 0.002 | 57.062 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | C | 260 | VAL | 0 | -0.029 | -0.026 | 55.427 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | C | 261 | PRO | 0 | 0.047 | 0.041 | 53.031 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | C | 262 | ASN | 0 | -0.063 | -0.037 | 54.513 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | C | 263 | THR | 0 | 0.006 | -0.013 | 56.160 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | C | 264 | PRO | 0 | -0.018 | 0.002 | 57.563 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | C | 265 | LEU | 0 | -0.037 | -0.006 | 60.613 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | C | 266 | TRP | 0 | -0.045 | -0.033 | 63.400 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | C | 267 | LEU | 0 | -0.006 | -0.001 | 61.328 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | C | 268 | PRO | 0 | -0.029 | -0.004 | 60.821 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | C | 269 | VAL | 0 | 0.001 | -0.017 | 63.259 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | C | 270 | ASP | -1 | -0.907 | -0.945 | 63.384 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | C | 271 | SER | 0 | -0.074 | -0.038 | 66.207 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | C | 272 | LEU | 0 | 0.035 | 0.008 | 69.543 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | C | 273 | THR | 0 | -0.007 | 0.010 | 72.250 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | C | 274 | GLU | -1 | -0.815 | -0.918 | 75.205 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | C | 275 | ARG | 1 | 0.910 | 0.967 | 74.058 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | C | 276 | PRO | 0 | -0.005 | 0.001 | 76.834 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |