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: 4GVLN
Calculation Name: 1F7U-A-Xray549
Preferred Name:
Target Type:
Ligand Name: n2-dimethylguanosine-5'-monophosphate | 1n-methylguanosine-5'-monophosphate | 2n-methylguanosine-5'-monophosphate | 6-hydro-1-methyladenosine-5'-monophosphate | pseudouridine-5'-monophosphate | 5-methylcytidine-5'-monophosphate | 5-methyluridine 5'-monophosphate | 5,6-dihydrouridine-5'-monophosphate | sulfate ion
Ligand 3-letter code: M2G | 1MG | 2MG | 1MA | PSU | 5MC | 5MU | H2U | SO4
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 1F7U
Chain ID: A
UniProt ID: Q05506
Base Structure: X-ray
Registration Date: 2025-10-11
Reference: Sci Data 11, 1164 (2024).
DOI: https://doi.org/10.1038/s41597-024-03999-2
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptH |
| Protonation | MOE:Protonate 3D |
| Complement | ac.sh, 23 2024 Oct |
| Water | No |
| Procedure | Manual calculation |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 606 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -13510913.130886 |
|---|---|
| FMO2-HF: Nuclear repulsion | 13268029.924839 |
| FMO2-HF: Total energy | -242883.206047 |
| FMO2-MP2: Total energy | -243593.460595 |
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:ALA)
Summations of interaction energy for
fragment #1(A:2: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. |
| 27.324 | 30.654 | 0.959 | -1.602 | -2.686 | -0.012 |
Interaction energy analysis for fragmet #1(A:2: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]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 3 | A | 4 | THR | 0 | 0.043 | -0.012 | 3.403 | 0.356 | 1.789 | 0.024 | -0.613 | -0.844 | -0.001 |
| 4 | A | 5 | ALA | 0 | 0.020 | 0.013 | 2.238 | 2.831 | 4.299 | 0.934 | -0.894 | -1.507 | -0.011 |
| 5 | A | 6 | ASN | 0 | -0.027 | 0.006 | 4.066 | 11.139 | 11.568 | 0.001 | -0.095 | -0.335 | 0.000 |
| 6 | A | 7 | MET | 0 | 0.038 | 0.023 | 5.679 | 7.368 | 7.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 8 | ILE | 0 | 0.013 | 0.006 | 6.117 | 3.613 | 3.613 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 9 | SER | 0 | -0.035 | -0.028 | 6.858 | 3.757 | 3.757 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 10 | GLN | 0 | 0.008 | -0.009 | 9.408 | 2.374 | 2.374 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 11 | LEU | 0 | -0.021 | -0.012 | 11.175 | 2.125 | 2.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 12 | LYS | 1 | 0.856 | 0.933 | 12.039 | 24.105 | 24.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 13 | LYS | 1 | 0.931 | 0.982 | 14.031 | 21.394 | 21.394 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 14 | LEU | 0 | -0.041 | 0.000 | 15.697 | 1.069 | 1.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 15 | SER | 0 | 0.022 | 0.003 | 17.561 | 0.467 | 0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 16 | ILE | 0 | -0.008 | 0.000 | 20.217 | 0.409 | 0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 17 | ALA | 0 | -0.002 | 0.009 | 22.795 | 0.543 | 0.543 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 18 | GLU | -1 | -0.868 | -0.934 | 25.775 | -9.913 | -9.913 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 19 | PRO | 0 | 0.033 | -0.007 | 28.405 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 20 | ALA | 0 | -0.023 | 0.004 | 29.430 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 21 | VAL | 0 | -0.010 | -0.014 | 27.740 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 22 | ALA | 0 | -0.005 | -0.005 | 24.679 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 23 | LYS | 1 | 0.953 | 0.991 | 24.997 | 9.478 | 9.478 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 24 | ASP | -1 | -0.835 | -0.913 | 27.113 | -10.522 | -10.522 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 25 | SER | 0 | -0.046 | 0.000 | 21.597 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 26 | HIS | 1 | 0.885 | 0.934 | 21.227 | 13.155 | 13.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 27 | PRO | 0 | 0.046 | 0.017 | 16.473 | -0.291 | -0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 28 | ASP | -1 | -0.890 | -0.958 | 15.808 | -17.335 | -17.335 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 29 | VAL | 0 | 0.026 | 0.008 | 16.464 | -0.781 | -0.781 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 30 | ASN | 0 | -0.045 | -0.025 | 19.018 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 31 | ILE | 0 | 0.005 | 0.006 | 13.611 | -0.653 | -0.653 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 32 | VAL | 0 | 0.011 | 0.006 | 17.098 | -0.560 | -0.560 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 33 | ASP | -1 | -0.734 | -0.851 | 19.657 | -13.832 | -13.832 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 34 | LEU | 0 | -0.055 | -0.014 | 11.543 | -0.462 | -0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 35 | MET | 0 | -0.047 | -0.003 | 13.515 | -0.995 | -0.995 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 36 | ARG | 1 | 0.782 | 0.852 | 16.848 | 13.008 | 13.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 37 | ASN | 0 | -0.027 | -0.018 | 16.476 | 1.094 | 1.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 38 | TYR | 0 | -0.034 | -0.036 | 11.383 | -0.496 | -0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 39 | ILE | 0 | -0.015 | -0.010 | 15.510 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 40 | SER | 0 | 0.009 | -0.025 | 18.577 | 0.796 | 0.796 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 41 | GLN | 0 | -0.077 | -0.038 | 13.495 | 0.578 | 0.578 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 42 | GLU | -1 | -0.807 | -0.884 | 14.959 | -20.154 | -20.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 43 | LEU | 0 | 0.033 | 0.008 | 18.107 | 0.631 | 0.631 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 44 | SER | 0 | -0.052 | -0.012 | 21.610 | 0.575 | 0.575 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 45 | LYS | 1 | 0.811 | 0.883 | 15.222 | 20.262 | 20.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 46 | ILE | 0 | -0.053 | -0.012 | 19.753 | 0.397 | 0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 47 | SER | 0 | -0.042 | -0.041 | 23.274 | 0.613 | 0.613 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 48 | GLY | 0 | -0.007 | 0.008 | 25.760 | 0.512 | 0.512 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 49 | VAL | 0 | -0.040 | -0.020 | 27.348 | 0.364 | 0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 50 | ASP | -1 | -0.760 | -0.846 | 26.237 | -12.517 | -12.517 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 51 | SER | 0 | 0.030 | 0.006 | 22.289 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 52 | SER | 0 | -0.060 | -0.061 | 24.216 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 53 | LEU | 0 | -0.013 | -0.013 | 26.623 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 54 | ILE | 0 | -0.034 | -0.014 | 23.740 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 55 | PHE | 0 | 0.027 | 0.017 | 21.049 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 56 | PRO | 0 | -0.019 | -0.009 | 24.771 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 57 | ALA | 0 | -0.046 | -0.025 | 27.832 | 0.460 | 0.460 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 58 | LEU | 0 | -0.023 | 0.002 | 21.888 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 59 | GLU | -1 | -0.875 | -0.923 | 26.094 | -9.699 | -9.699 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 60 | TRP | 0 | -0.004 | -0.001 | 26.511 | -0.347 | -0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 61 | THR | 0 | -0.053 | -0.038 | 26.638 | 0.488 | 0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 62 | ASN | 0 | -0.034 | -0.022 | 29.040 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 63 | THR | 0 | -0.004 | -0.012 | 31.203 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 64 | MET | 0 | 0.015 | 0.023 | 25.958 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 65 | GLU | -1 | -0.905 | -0.947 | 26.635 | -9.755 | -9.755 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 66 | ARG | 1 | 0.901 | 0.951 | 28.440 | 9.135 | 9.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 67 | GLY | 0 | 0.067 | 0.052 | 24.131 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 68 | ASP | -1 | -0.853 | -0.899 | 21.304 | -13.234 | -13.234 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 69 | LEU | 0 | -0.009 | -0.007 | 20.816 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 70 | LEU | 0 | -0.028 | -0.003 | 24.200 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 71 | ILE | 0 | 0.041 | 0.020 | 26.008 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 72 | PRO | 0 | -0.007 | 0.003 | 28.143 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 73 | ILE | 0 | 0.047 | 0.026 | 28.433 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 74 | PRO | 0 | -0.033 | -0.030 | 32.035 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 75 | ARG | 1 | 0.787 | 0.882 | 31.083 | 10.136 | 10.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 76 | LEU | 0 | 0.062 | 0.038 | 28.237 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 77 | ARG | 1 | 0.869 | 0.943 | 32.747 | 8.263 | 8.263 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 78 | ILE | 0 | 0.083 | 0.050 | 31.124 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 79 | LYS | 1 | 0.851 | 0.914 | 35.708 | 8.330 | 8.330 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 80 | GLY | 0 | 0.032 | 0.017 | 38.358 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 81 | ALA | 0 | 0.032 | 0.025 | 35.319 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 82 | ASN | 0 | -0.004 | -0.005 | 37.040 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 83 | PRO | 0 | 0.014 | -0.014 | 34.230 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 84 | LYS | 1 | 0.945 | 0.976 | 32.967 | 7.779 | 7.779 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 85 | ASP | -1 | -0.828 | -0.906 | 32.635 | -8.756 | -8.756 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 86 | LEU | 0 | -0.015 | -0.005 | 30.624 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 87 | ALA | 0 | 0.013 | 0.005 | 28.743 | -0.421 | -0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 88 | VAL | 0 | 0.016 | -0.005 | 27.643 | -0.428 | -0.428 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 89 | GLN | 0 | 0.004 | 0.007 | 27.311 | -0.521 | -0.521 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 90 | TRP | 0 | -0.010 | -0.026 | 24.909 | -0.419 | -0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 91 | ALA | 0 | 0.008 | 0.001 | 23.170 | -0.620 | -0.620 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 92 | GLU | -1 | -0.970 | -0.977 | 22.439 | -11.653 | -11.653 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 93 | LYS | 1 | 0.894 | 0.952 | 21.258 | 11.893 | 11.893 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 94 | PHE | 0 | 0.025 | 0.011 | 17.037 | -0.564 | -0.564 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 95 | PRO | 0 | 0.018 | 0.021 | 13.891 | -0.306 | -0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 96 | CYS | 0 | 0.007 | 0.011 | 14.392 | -0.327 | -0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 97 | GLY | 0 | 0.011 | 0.005 | 10.155 | -0.879 | -0.879 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 98 | ASP | -1 | -0.846 | -0.900 | 5.930 | -34.798 | -34.798 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 99 | PHE | 0 | 0.001 | -0.004 | 8.613 | 0.761 | 0.761 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 100 | LEU | 0 | 0.001 | -0.003 | 11.982 | 1.305 | 1.305 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 101 | GLU | -1 | -0.905 | -0.936 | 14.690 | -15.070 | -15.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 102 | LYS | 1 | 0.851 | 0.913 | 16.995 | 12.301 | 12.301 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 103 | VAL | 0 | -0.013 | -0.006 | 18.879 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 104 | GLU | -1 | -0.833 | -0.892 | 21.512 | -11.441 | -11.441 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 105 | ALA | 0 | 0.014 | 0.015 | 25.277 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 106 | ASN | 0 | -0.037 | -0.025 | 28.421 | 0.421 | 0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 107 | GLY | 0 | 0.053 | 0.019 | 31.459 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 108 | PRO | 0 | -0.037 | -0.036 | 33.263 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 109 | PHE | 0 | 0.007 | 0.009 | 30.216 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 110 | ILE | 0 | 0.002 | 0.024 | 24.239 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 111 | GLN | 0 | -0.006 | 0.000 | 25.421 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 112 | PHE | 0 | 0.063 | 0.010 | 20.107 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 113 | PHE | 0 | 0.037 | 0.027 | 20.556 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 114 | PHE | 0 | 0.047 | 0.001 | 16.914 | -0.862 | -0.862 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 115 | ASN | 0 | -0.004 | -0.005 | 11.863 | 1.670 | 1.670 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 116 | PRO | 0 | 0.042 | 0.006 | 14.957 | -0.789 | -0.789 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 117 | GLN | 0 | 0.058 | 0.023 | 11.879 | 0.785 | 0.785 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 118 | PHE | 0 | -0.046 | -0.021 | 8.035 | -1.375 | -1.375 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 119 | LEU | 0 | 0.007 | -0.004 | 11.846 | -0.467 | -0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 120 | ALA | 0 | 0.016 | 0.009 | 14.815 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 121 | LYS | 1 | 0.954 | 0.975 | 8.411 | 27.994 | 27.994 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 122 | LEU | 0 | -0.040 | -0.005 | 9.165 | -1.074 | -1.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 123 | VAL | 0 | 0.015 | -0.004 | 13.078 | 0.707 | 0.707 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 124 | ILE | 0 | 0.009 | 0.020 | 16.629 | 0.847 | 0.847 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 125 | PRO | 0 | 0.010 | 0.003 | 13.984 | 0.828 | 0.828 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 126 | ASP | -1 | -0.858 | -0.917 | 16.459 | -15.823 | -15.823 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 127 | ILE | 0 | -0.033 | -0.008 | 18.056 | 0.844 | 0.844 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 128 | LEU | 0 | -0.029 | -0.026 | 20.375 | 0.739 | 0.739 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 129 | THR | 0 | -0.067 | -0.037 | 18.660 | 0.392 | 0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 130 | ARG | 1 | 0.877 | 0.942 | 19.809 | 14.613 | 14.613 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 131 | LYS | 1 | 0.948 | 0.991 | 22.968 | 12.311 | 12.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 132 | GLU | -1 | -0.875 | -0.928 | 25.645 | -10.872 | -10.872 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 133 | ASP | -1 | -0.885 | -0.926 | 25.903 | -10.847 | -10.847 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 134 | TYR | 0 | -0.040 | -0.017 | 19.875 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 135 | GLY | 0 | -0.023 | -0.025 | 23.174 | -0.355 | -0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 136 | SER | 0 | -0.069 | -0.039 | 25.441 | 0.288 | 0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 137 | CYS | 0 | -0.043 | -0.027 | 24.991 | -0.654 | -0.654 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 138 | LYS | 1 | 0.961 | 0.972 | 26.720 | 10.913 | 10.913 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 139 | LEU | 0 | 0.006 | 0.019 | 27.705 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 140 | VAL | 0 | -0.016 | -0.013 | 27.466 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 141 | GLU | -1 | -0.905 | -0.948 | 29.954 | -8.897 | -8.897 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 142 | ASN | 0 | -0.070 | -0.058 | 33.779 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 143 | LYS | 1 | 0.868 | 0.957 | 35.463 | 8.621 | 8.621 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 144 | LYS | 1 | 0.868 | 0.930 | 37.649 | 7.455 | 7.455 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 145 | VAL | 0 | -0.027 | -0.018 | 39.761 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 146 | ILE | 0 | 0.005 | 0.008 | 42.265 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 147 | ILE | 0 | -0.022 | -0.007 | 40.921 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 148 | GLU | -1 | -0.792 | -0.852 | 45.556 | -6.043 | -6.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 149 | PHE | 0 | 0.001 | -0.011 | 45.565 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 150 | SER | 0 | -0.023 | 0.002 | 49.636 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 151 | SER | 0 | -0.033 | -0.039 | 51.994 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 152 | PRO | 0 | 0.004 | 0.031 | 54.814 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 153 | ASN | 0 | -0.002 | -0.005 | 57.732 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 154 | ILE | 0 | 0.027 | 0.007 | 60.812 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 155 | ALA | 0 | -0.017 | 0.011 | 62.788 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 156 | LYS | 1 | 0.797 | 0.893 | 62.691 | 4.967 | 4.967 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 157 | PRO | 0 | 0.058 | 0.045 | 61.632 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 158 | PHE | 0 | 0.003 | 0.008 | 54.044 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 159 | HIS | 0 | 0.034 | 0.030 | 58.166 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 160 | ALA | 0 | 0.074 | 0.021 | 55.568 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 161 | GLY | 0 | -0.029 | -0.016 | 54.151 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 162 | HIS | 0 | -0.016 | -0.016 | 53.939 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 163 | LEU | 0 | 0.008 | 0.030 | 48.743 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 164 | ARG | 1 | 0.789 | 0.877 | 47.556 | 6.348 | 6.348 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 165 | SER | 0 | 0.014 | -0.012 | 47.897 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 166 | THR | 0 | 0.023 | 0.009 | 47.844 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 167 | ILE | 0 | 0.056 | 0.018 | 44.665 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 168 | ILE | 0 | -0.041 | -0.010 | 43.477 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 169 | GLY | 0 | 0.027 | 0.000 | 42.854 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 170 | GLY | 0 | 0.032 | 0.027 | 43.019 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 171 | PHE | 0 | -0.007 | -0.005 | 35.932 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 172 | LEU | 0 | -0.032 | -0.018 | 38.351 | -0.261 | -0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 173 | ALA | 0 | 0.030 | 0.014 | 38.660 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 174 | ASN | 0 | 0.025 | 0.010 | 36.673 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 175 | LEU | 0 | -0.048 | -0.028 | 32.800 | -0.332 | -0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 176 | TYR | 0 | -0.001 | -0.035 | 33.759 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 177 | GLU | -1 | -0.799 | -0.851 | 34.503 | -8.551 | -8.551 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 178 | LYS | 1 | 0.751 | 0.867 | 29.167 | 10.113 | 10.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 179 | LEU | 0 | -0.015 | -0.030 | 28.693 | -0.498 | -0.498 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 180 | GLY | 0 | -0.029 | -0.005 | 30.755 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 181 | TRP | 0 | -0.020 | -0.017 | 31.886 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 182 | GLU | -1 | -0.825 | -0.891 | 35.590 | -7.841 | -7.841 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 183 | VAL | 0 | -0.014 | -0.019 | 38.255 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 184 | ILE | 0 | -0.034 | 0.000 | 40.955 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 185 | ARG | 1 | 0.798 | 0.864 | 39.437 | 7.867 | 7.867 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 186 | MET | 0 | -0.026 | -0.015 | 46.037 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 187 | ASN | 0 | 0.017 | -0.001 | 49.665 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 188 | TYR | 0 | -0.047 | -0.037 | 52.461 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 189 | LEU | 0 | 0.007 | 0.016 | 55.434 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 190 | GLY | 0 | 0.049 | 0.028 | 58.473 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 191 | ASP | -1 | -0.812 | -0.905 | 61.293 | -5.184 | -5.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 192 | TRP | 0 | 0.057 | 0.023 | 63.857 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 193 | GLY | 0 | -0.016 | -0.010 | 66.346 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 194 | LYS | 0 | 0.049 | 0.006 | 69.041 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 195 | GLN | 0 | -0.036 | -0.006 | 64.128 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 196 | PHE | 0 | 0.081 | 0.036 | 67.433 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 197 | GLY | 0 | 0.025 | 0.012 | 69.778 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 198 | LEU | 0 | -0.004 | -0.009 | 72.797 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 199 | LEU | 0 | -0.024 | -0.021 | 69.354 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 200 | ALA | 0 | -0.014 | 0.014 | 72.722 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 201 | VAL | 0 | 0.089 | 0.047 | 75.039 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 202 | GLY | 0 | 0.005 | -0.007 | 75.818 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 203 | PHE | 0 | -0.016 | -0.010 | 73.544 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 204 | GLU | -1 | -0.847 | -0.903 | 76.392 | -4.037 | -4.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 205 | ARG | 1 | 0.828 | 0.911 | 79.639 | 3.957 | 3.957 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 206 | TYR | 0 | -0.091 | -0.094 | 77.693 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 207 | GLY | 0 | 0.012 | -0.003 | 76.030 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 208 | ASN | 0 | -0.031 | -0.017 | 75.911 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 209 | GLU | -1 | -0.771 | -0.850 | 74.409 | -4.442 | -4.442 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 210 | GLU | -1 | -0.928 | -0.973 | 74.106 | -4.198 | -4.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 211 | ALA | 0 | -0.039 | -0.023 | 73.478 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 212 | LEU | 0 | -0.031 | -0.018 | 69.485 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 213 | VAL | 0 | -0.045 | -0.011 | 69.139 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 214 | LYS | 1 | 0.898 | 0.964 | 68.102 | 4.482 | 4.482 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 215 | ASP | -1 | -0.772 | -0.904 | 63.611 | -5.167 | -5.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 216 | PRO | 0 | 0.026 | 0.020 | 64.460 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 217 | ILE | 0 | 0.027 | 0.022 | 60.643 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 218 | HIS | 0 | -0.050 | -0.027 | 64.877 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 219 | HIS | 0 | 0.037 | 0.023 | 67.063 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 220 | LEU | 0 | 0.025 | 0.001 | 67.081 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 221 | PHE | 0 | -0.015 | -0.004 | 66.909 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 222 | ASP | -1 | -0.868 | -0.931 | 69.009 | -4.470 | -4.470 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 223 | VAL | 0 | -0.021 | -0.003 | 72.329 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 224 | TYR | 0 | 0.043 | 0.023 | 68.924 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 225 | VAL | 0 | -0.029 | -0.014 | 70.745 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 226 | ARG | 1 | 0.829 | 0.914 | 73.321 | 4.051 | 4.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 227 | ILE | 0 | 0.017 | 0.015 | 74.869 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 228 | ASN | 0 | -0.086 | -0.075 | 72.064 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 229 | LYS | 1 | 0.967 | 0.985 | 75.628 | 4.258 | 4.258 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 230 | ASP | -1 | -0.751 | -0.833 | 78.530 | -3.951 | -3.951 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 231 | ILE | 0 | -0.057 | -0.025 | 75.813 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 232 | GLU | -1 | -1.026 | -0.997 | 76.572 | -4.228 | -4.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 233 | GLU | -1 | -1.000 | -1.000 | 80.053 | -3.827 | -3.827 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 234 | GLU | -1 | -0.784 | -0.867 | 83.292 | -3.840 | -3.840 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 235 | GLY | 0 | 0.024 | 0.018 | 83.512 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 236 | ASP | -1 | -0.964 | -0.992 | 83.926 | -3.878 | -3.878 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 237 | SER | 0 | -0.083 | -0.034 | 86.006 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 238 | ILE | 0 | -0.013 | -0.006 | 88.393 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 239 | PRO | 0 | -0.004 | -0.010 | 87.369 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 240 | LEU | 0 | 0.056 | 0.009 | 81.315 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 241 | GLU | -1 | -0.859 | -0.915 | 83.725 | -3.898 | -3.898 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 242 | GLN | 0 | -0.071 | -0.016 | 85.020 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 243 | SER | 0 | -0.029 | -0.022 | 85.318 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 244 | THR | 0 | -0.009 | -0.013 | 80.298 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 245 | ASN | 0 | -0.022 | -0.017 | 77.417 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 246 | GLY | 0 | -0.012 | -0.023 | 79.215 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 247 | LYS | 0 | 0.058 | 0.052 | 80.541 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 248 | ALA | 0 | 0.038 | 0.028 | 76.077 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 249 | ARG | 1 | 0.757 | 0.862 | 76.179 | 3.909 | 3.909 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 250 | GLU | -1 | -0.904 | -0.946 | 76.907 | -3.980 | -3.980 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 251 | TYR | 0 | 0.015 | -0.040 | 76.199 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 252 | PHE | 0 | -0.005 | 0.001 | 69.579 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 253 | LYS | 1 | 0.873 | 0.940 | 73.479 | 4.069 | 4.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 254 | ARG | 1 | 0.758 | 0.861 | 75.429 | 4.091 | 4.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 255 | MET | 0 | -0.050 | -0.022 | 71.107 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 256 | GLU | -1 | -0.878 | -0.944 | 70.249 | -4.666 | -4.666 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 257 | ASP | -1 | -0.877 | -0.933 | 72.289 | -4.221 | -4.221 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 258 | GLY | 0 | -0.043 | -0.013 | 72.617 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 259 | ASP | -1 | -0.814 | -0.891 | 73.573 | -4.135 | -4.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 260 | GLU | -1 | -0.890 | -0.965 | 72.964 | -4.484 | -4.484 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 261 | GLU | -1 | -0.898 | -0.914 | 74.719 | -4.091 | -4.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 262 | ALA | 0 | 0.014 | -0.002 | 74.940 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 263 | LEU | 0 | -0.020 | -0.011 | 69.178 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 264 | LYS | 1 | 0.964 | 0.988 | 70.216 | 4.317 | 4.317 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 265 | ILE | 0 | -0.030 | -0.007 | 71.011 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 266 | TRP | 0 | 0.005 | -0.008 | 63.835 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 267 | LYS | 1 | 0.836 | 0.900 | 63.209 | 5.019 | 5.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 268 | ARG | 1 | 0.756 | 0.854 | 65.931 | 4.435 | 4.435 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 269 | PHE | 0 | 0.034 | -0.002 | 66.554 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 270 | ARG | 1 | 0.803 | 0.907 | 58.425 | 5.311 | 5.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 271 | GLU | -1 | -0.803 | -0.900 | 61.585 | -5.301 | -5.301 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 272 | PHE | 0 | -0.030 | -0.027 | 61.716 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 273 | SER | 0 | -0.031 | -0.018 | 61.133 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 274 | ILE | 0 | -0.019 | -0.011 | 56.440 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 275 | GLU | -1 | -0.913 | -0.960 | 56.900 | -5.693 | -5.693 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 276 | LYS | 1 | 0.900 | 0.946 | 57.045 | 5.084 | 5.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 277 | TYR | 0 | 0.014 | 0.004 | 55.062 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 278 | ILE | 0 | -0.025 | -0.004 | 51.896 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 279 | ASP | -1 | -0.892 | -0.935 | 52.006 | -5.922 | -5.922 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 280 | THR | 0 | -0.069 | -0.047 | 52.521 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 281 | TYR | 0 | -0.040 | -0.051 | 49.425 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 282 | ALA | 0 | 0.021 | 0.024 | 47.995 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 283 | ARG | 1 | 0.809 | 0.888 | 47.597 | 5.836 | 5.836 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 284 | LEU | 0 | -0.038 | -0.030 | 46.723 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 285 | ASN | 0 | -0.113 | -0.071 | 42.380 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 286 | ILE | 0 | -0.051 | -0.015 | 43.545 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 287 | LYS | 1 | 0.984 | 0.988 | 45.162 | 7.016 | 7.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 288 | TYR | 0 | -0.043 | -0.038 | 45.885 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 289 | ASP | -1 | -0.865 | -0.922 | 45.043 | -7.160 | -7.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 290 | VAL | 0 | -0.068 | -0.049 | 48.233 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 291 | TYR | 0 | 0.065 | 0.038 | 51.681 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 292 | SER | 0 | 0.025 | 0.013 | 54.451 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 293 | GLY | 0 | 0.039 | 0.012 | 56.191 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 294 | GLU | -1 | -0.833 | -0.898 | 59.192 | -5.174 | -5.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 295 | SER | 0 | -0.014 | -0.027 | 61.455 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 296 | GLN | 0 | -0.074 | -0.035 | 59.067 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 297 | VAL | 0 | -0.029 | 0.007 | 60.435 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 298 | SER | 0 | -0.057 | -0.052 | 60.318 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 299 | LYS | 1 | 0.929 | 0.929 | 62.433 | 4.995 | 4.995 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 300 | GLU | -1 | -0.825 | -0.901 | 62.532 | -4.991 | -4.991 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 301 | SER | 0 | -0.016 | -0.040 | 59.126 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 302 | MET | 0 | 0.004 | 0.004 | 61.742 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 303 | LEU | 0 | -0.030 | -0.014 | 64.657 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 304 | LYS | 1 | 0.988 | 0.995 | 57.719 | 5.583 | 5.583 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 305 | ALA | 0 | 0.017 | -0.004 | 62.187 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 306 | ILE | 0 | -0.020 | -0.015 | 63.608 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 307 | ASP | -1 | -0.945 | -0.966 | 65.978 | -4.792 | -4.792 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 308 | LEU | 0 | 0.052 | 0.024 | 60.196 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 309 | PHE | 0 | -0.025 | -0.036 | 62.561 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 310 | LYS | 1 | 0.902 | 0.963 | 65.977 | 4.593 | 4.593 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 311 | GLU | -1 | -0.854 | -0.912 | 63.313 | -5.126 | -5.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 312 | LYS | 1 | 0.820 | 0.906 | 60.390 | 5.303 | 5.303 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 313 | GLY | 0 | -0.022 | 0.000 | 65.042 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 314 | LEU | 0 | -0.071 | -0.036 | 62.404 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 315 | THR | 0 | -0.007 | -0.021 | 66.660 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 316 | HIS | 0 | -0.060 | -0.028 | 69.527 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 317 | GLU | -1 | -0.856 | -0.928 | 73.029 | -4.162 | -4.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 318 | ASP | -1 | -0.822 | -0.902 | 75.180 | -4.236 | -4.236 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 319 | LYS | 1 | 0.842 | 0.913 | 75.811 | 4.224 | 4.224 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 320 | GLY | 0 | 0.041 | 0.025 | 79.329 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 321 | ALA | 0 | -0.025 | 0.005 | 73.856 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 322 | VAL | 0 | 0.010 | 0.007 | 70.867 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 323 | LEU | 0 | -0.017 | -0.011 | 69.342 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 324 | ILE | 0 | 0.036 | 0.022 | 63.960 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 325 | ASP | -1 | -0.872 | -0.934 | 66.942 | -4.780 | -4.780 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 326 | LEU | 0 | 0.035 | 0.005 | 60.707 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 327 | THR | 0 | -0.052 | -0.038 | 62.507 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 328 | LYS | 1 | 0.913 | 0.959 | 63.827 | 4.758 | 4.758 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 329 | PHE | 0 | 0.038 | 0.040 | 59.143 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 330 | ASN | 0 | -0.018 | -0.031 | 56.329 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 331 | LYS | 1 | 0.980 | 0.989 | 60.010 | 5.353 | 5.353 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 332 | LYS | 1 | 0.923 | 0.956 | 58.330 | 5.532 | 5.532 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 333 | LEU | 0 | 0.008 | 0.017 | 57.497 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 334 | GLY | 0 | 0.012 | 0.032 | 61.533 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 335 | LYS | 1 | 0.881 | 0.930 | 65.344 | 4.524 | 4.524 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 336 | ALA | 0 | 0.014 | 0.014 | 64.291 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 337 | ILE | 0 | -0.019 | -0.009 | 66.349 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 338 | VAL | 0 | -0.044 | -0.034 | 65.454 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 339 | GLN | 0 | -0.016 | -0.014 | 67.945 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 340 | LYS | 1 | 0.860 | 0.924 | 71.133 | 4.327 | 4.327 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 341 | SER | 0 | 0.025 | -0.004 | 73.690 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 342 | ASP | -1 | -0.840 | -0.880 | 75.867 | -4.249 | -4.249 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 343 | GLY | 0 | 0.015 | 0.012 | 75.424 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 344 | THR | 0 | -0.052 | -0.033 | 72.401 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 345 | THR | 0 | 0.001 | -0.008 | 67.242 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 346 | LEU | 0 | -0.019 | -0.016 | 67.005 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 347 | TYR | 0 | 0.006 | 0.008 | 58.048 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 348 | LEU | 0 | 0.029 | 0.008 | 60.483 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 349 | THR | 0 | -0.062 | -0.041 | 61.373 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 350 | ARG | 1 | 0.833 | 0.892 | 61.978 | 4.944 | 4.944 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 351 | ASP | -1 | -0.779 | -0.885 | 57.278 | -5.708 | -5.708 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 352 | VAL | 0 | -0.062 | -0.026 | 57.299 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 353 | GLY | 0 | 0.061 | 0.018 | 58.231 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 354 | ALA | 0 | 0.041 | 0.014 | 56.786 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 355 | ALA | 0 | -0.033 | -0.015 | 53.876 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 356 | MET | 0 | -0.030 | -0.009 | 53.566 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 357 | ASP | -1 | -0.750 | -0.812 | 54.960 | -5.572 | -5.572 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 358 | ARG | 1 | 0.760 | 0.867 | 51.044 | 5.985 | 5.985 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 359 | TYR | 0 | 0.035 | 0.010 | 47.723 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 360 | GLU | -1 | -0.896 | -0.942 | 50.720 | -6.088 | -6.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 361 | LYS | 1 | 0.876 | 0.948 | 51.147 | 6.162 | 6.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 362 | TYR | 0 | -0.011 | -0.024 | 46.907 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 363 | HIS | 1 | 0.804 | 0.903 | 46.404 | 6.288 | 6.288 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 364 | PHE | 0 | -0.011 | 0.008 | 44.386 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 365 | ASP | -1 | -0.772 | -0.887 | 40.558 | -7.947 | -7.947 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 366 | LYS | 1 | 0.854 | 0.927 | 39.763 | 7.725 | 7.725 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 367 | MET | 0 | -0.024 | 0.008 | 43.600 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 368 | ILE | 0 | -0.028 | -0.011 | 41.360 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 369 | TYR | 0 | 0.065 | 0.031 | 46.004 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 370 | VAL | 0 | 0.001 | -0.002 | 45.897 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 371 | ILE | 0 | 0.051 | 0.046 | 48.796 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 372 | ALA | 0 | 0.021 | 0.008 | 51.637 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 373 | SER | 0 | 0.009 | -0.030 | 52.572 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 374 | GLN | 0 | -0.061 | -0.026 | 54.149 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 375 | GLN | 0 | 0.039 | 0.029 | 56.301 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 376 | ASP | -1 | -0.776 | -0.876 | 53.020 | -6.104 | -6.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 377 | LEU | 0 | -0.064 | -0.022 | 55.384 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 378 | HIS | 0 | 0.014 | 0.003 | 57.384 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 379 | ALA | 0 | 0.027 | 0.014 | 53.355 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 380 | ALA | 0 | -0.018 | -0.012 | 54.627 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 381 | GLN | 0 | -0.036 | -0.034 | 55.557 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 382 | PHE | 0 | 0.067 | 0.025 | 54.151 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 383 | PHE | 0 | -0.020 | 0.000 | 49.445 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 384 | GLU | -1 | -0.830 | -0.887 | 54.739 | -5.845 | -5.845 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 385 | ILE | 0 | 0.009 | 0.003 | 56.754 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 386 | LEU | 0 | -0.005 | -0.002 | 54.381 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 387 | LYS | 1 | 0.861 | 0.907 | 52.897 | 5.945 | 5.945 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 388 | GLN | 0 | -0.089 | -0.057 | 55.433 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 389 | MET | 0 | -0.045 | 0.004 | 58.629 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 390 | GLY | 0 | -0.015 | -0.002 | 56.751 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 391 | PHE | 0 | -0.024 | -0.015 | 53.441 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 392 | GLU | -1 | -0.923 | -0.967 | 48.496 | -6.650 | -6.650 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 393 | TRP | 0 | 0.050 | 0.021 | 48.078 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 394 | ALA | 0 | -0.012 | -0.006 | 48.950 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 395 | LYS | 1 | 0.845 | 0.932 | 44.096 | 7.245 | 7.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 396 | ASP | -1 | -0.860 | -0.938 | 44.236 | -7.363 | -7.363 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 397 | LEU | 0 | -0.046 | -0.007 | 45.483 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 398 | GLN | 0 | -0.005 | -0.011 | 41.966 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 399 | HIS | 0 | -0.018 | -0.013 | 46.829 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 400 | VAL | 0 | -0.058 | -0.030 | 43.885 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 401 | ASN | 0 | -0.007 | -0.009 | 46.824 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 402 | PHE | 0 | 0.015 | -0.004 | 47.742 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 403 | GLY | 0 | 0.055 | 0.050 | 49.819 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 404 | MET | 0 | -0.039 | -0.028 | 52.311 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 405 | VAL | 0 | 0.039 | 0.026 | 53.383 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 406 | GLN | 0 | -0.019 | -0.022 | 55.817 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 407 | GLY | 0 | 0.063 | 0.024 | 58.844 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 408 | MET | 0 | -0.002 | 0.033 | 59.422 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 409 | SER | 0 | -0.033 | -0.046 | 62.333 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 410 | THR | 0 | 0.058 | 0.039 | 65.720 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 411 | ARG | 1 | 1.047 | 1.029 | 67.893 | 4.684 | 4.684 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 412 | LYS | 1 | 0.864 | 0.917 | 69.015 | 4.490 | 4.490 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 413 | GLY | 0 | 0.043 | 0.026 | 69.309 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 414 | THR | 0 | -0.041 | -0.002 | 64.410 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 415 | VAL | 0 | -0.043 | -0.030 | 63.025 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 416 | VAL | 0 | 0.015 | 0.010 | 59.553 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 417 | PHE | 0 | 0.045 | 0.005 | 59.600 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 418 | LEU | 0 | 0.021 | 0.000 | 52.572 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 419 | ASP | -1 | -0.860 | -0.936 | 55.774 | -5.683 | -5.683 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 420 | ASN | 0 | -0.001 | 0.004 | 57.401 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 421 | ILE | 0 | -0.042 | -0.028 | 53.611 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 422 | LEU | 0 | -0.025 | -0.007 | 51.422 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 423 | GLU | -1 | -0.820 | -0.888 | 53.909 | -5.708 | -5.708 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 424 | GLU | -1 | -0.856 | -0.919 | 56.271 | -5.355 | -5.355 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 425 | THR | 0 | -0.093 | -0.070 | 50.880 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 426 | LYS | 1 | 0.793 | 0.900 | 51.960 | 5.683 | 5.683 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 427 | GLU | -1 | -0.889 | -0.943 | 53.016 | -5.422 | -5.422 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 428 | LYS | 1 | 0.931 | 0.975 | 52.977 | 5.905 | 5.905 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 429 | MET | 0 | -0.066 | -0.041 | 49.106 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 430 | HIS | 0 | -0.017 | -0.006 | 51.010 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 431 | GLU | -1 | -0.923 | -0.969 | 52.978 | -5.506 | -5.506 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 432 | VAL | 0 | -0.113 | -0.045 | 49.018 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 433 | MET | 0 | -0.015 | 0.009 | 47.973 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 434 | LYS | 1 | 0.935 | 0.958 | 50.253 | 5.538 | 5.538 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 435 | LYS | 1 | 0.881 | 0.956 | 52.151 | 5.850 | 5.850 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 436 | ASN | 0 | -0.022 | -0.007 | 46.797 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 437 | GLU | -1 | -0.854 | -0.926 | 50.111 | -5.777 | -5.777 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 438 | ASN | 0 | -0.017 | -0.011 | 46.646 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 439 | LYS | 1 | 0.904 | 0.950 | 41.965 | 7.228 | 7.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 440 | TYR | 0 | 0.016 | -0.018 | 47.262 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 441 | ALA | 0 | 0.013 | 0.003 | 50.046 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 442 | GLN | 0 | -0.091 | -0.039 | 44.007 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 443 | ILE | 0 | -0.052 | -0.030 | 45.805 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 444 | GLU | -1 | -0.903 | -0.959 | 47.382 | -6.333 | -6.333 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 445 | HIS | 1 | 0.855 | 0.937 | 48.328 | 6.467 | 6.467 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 446 | PRO | 0 | 0.054 | 0.018 | 49.241 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 447 | GLU | -1 | -0.795 | -0.889 | 50.724 | -5.786 | -5.786 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 448 | GLU | -1 | -0.851 | -0.939 | 49.041 | -6.150 | -6.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 449 | VAL | 0 | -0.021 | -0.017 | 45.022 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 450 | ALA | 0 | 0.010 | 0.008 | 47.032 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 451 | ASP | -1 | -0.751 | -0.841 | 49.575 | -6.208 | -6.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 452 | LEU | 0 | 0.003 | -0.002 | 43.602 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 453 | VAL | 0 | -0.024 | -0.013 | 44.274 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 454 | GLY | 0 | 0.061 | 0.039 | 45.945 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 455 | ILE | 0 | 0.029 | 0.009 | 45.629 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 456 | SER | 0 | -0.066 | -0.051 | 42.481 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 457 | ALA | 0 | -0.015 | -0.004 | 44.422 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 458 | VAL | 0 | 0.038 | 0.008 | 46.685 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 459 | MET | 0 | 0.001 | 0.015 | 42.977 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 460 | ILE | 0 | 0.000 | -0.002 | 39.908 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 461 | GLN | 0 | 0.002 | -0.006 | 43.695 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 462 | ASP | -1 | -0.848 | -0.873 | 46.550 | -6.490 | -6.490 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 463 | MET | 0 | -0.013 | -0.013 | 41.436 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 464 | GLN | 0 | 0.006 | -0.007 | 41.577 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 465 | GLY | 0 | -0.037 | 0.004 | 42.252 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 466 | LYS | 1 | 0.925 | 0.957 | 41.849 | 7.153 | 7.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 467 | ARG | 1 | 0.882 | 0.920 | 42.501 | 7.379 | 7.379 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 468 | ILE | 0 | -0.020 | -0.003 | 46.155 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 469 | ASN | 0 | -0.031 | -0.009 | 46.738 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 470 | ASN | 0 | 0.035 | 0.026 | 49.817 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 471 | TYR | 0 | -0.071 | -0.051 | 50.062 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 472 | GLU | -1 | -0.908 | -0.949 | 53.508 | -5.261 | -5.261 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 473 | PHE | 0 | 0.000 | -0.007 | 55.411 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 474 | LYS | 1 | 0.916 | 0.958 | 55.676 | 5.525 | 5.525 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 475 | TRP | 0 | 0.101 | 0.042 | 55.143 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 476 | GLU | -1 | -0.889 | -0.939 | 53.922 | -5.761 | -5.761 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 477 | ARG | 1 | 0.843 | 0.932 | 49.148 | 6.155 | 6.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 478 | MET | 0 | -0.046 | -0.003 | 49.900 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 479 | LEU | 0 | 0.043 | 0.019 | 50.753 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 480 | SER | 0 | -0.019 | -0.021 | 49.204 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 481 | PHE | 0 | -0.004 | -0.028 | 46.722 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 482 | GLU | -1 | -0.939 | -0.950 | 45.512 | -6.530 | -6.530 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 483 | GLY | 0 | 0.012 | 0.002 | 43.082 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 484 | ASP | -1 | -0.853 | -0.936 | 39.692 | -7.935 | -7.935 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 485 | THR | 0 | 0.027 | 0.032 | 42.019 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 486 | GLY | 0 | 0.057 | 0.013 | 41.753 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 487 | PRO | 0 | 0.062 | 0.017 | 41.619 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 488 | TYR | 0 | 0.002 | 0.016 | 36.368 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 489 | LEU | 0 | -0.023 | -0.016 | 36.078 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 490 | GLN | 0 | 0.038 | 0.010 | 37.423 | -0.396 | -0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 491 | TYR | 0 | 0.025 | 0.014 | 39.229 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 492 | ALA | 0 | -0.024 | -0.015 | 34.720 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 493 | HIS | 0 | 0.031 | 0.001 | 33.497 | -0.520 | -0.520 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 494 | SER | 0 | 0.016 | 0.006 | 35.410 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 495 | ARG | 1 | 0.880 | 0.942 | 35.741 | 8.308 | 8.308 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 496 | LEU | 0 | -0.011 | 0.003 | 30.066 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 497 | ARG | 1 | 0.817 | 0.868 | 32.188 | 9.040 | 9.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 498 | SER | 0 | -0.054 | -0.035 | 34.518 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 499 | VAL | 0 | -0.014 | 0.002 | 30.733 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 500 | GLU | -1 | -0.806 | -0.891 | 29.431 | -10.416 | -10.416 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 501 | ARG | 1 | 0.873 | 0.940 | 31.707 | 8.259 | 8.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 502 | ASN | 0 | -0.037 | -0.006 | 34.651 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 503 | ALA | 0 | -0.002 | 0.003 | 30.500 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 504 | SER | 0 | 0.016 | 0.005 | 30.722 | -0.313 | -0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 505 | GLY | 0 | -0.014 | 0.006 | 31.631 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 506 | ILE | 0 | -0.065 | -0.035 | 25.469 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 507 | THR | 0 | 0.013 | -0.004 | 26.943 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 508 | GLN | 0 | 0.047 | 0.010 | 25.060 | -0.572 | -0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 509 | GLU | -1 | -0.828 | -0.912 | 22.458 | -12.472 | -12.472 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 510 | LYS | 1 | 0.866 | 0.936 | 20.969 | 10.986 | 10.986 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 511 | TRP | 0 | -0.043 | -0.029 | 20.444 | -0.574 | -0.574 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 512 | ILE | 0 | 0.014 | 0.001 | 16.823 | -0.516 | -0.516 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 513 | ASN | 0 | -0.076 | -0.039 | 15.995 | -2.144 | -2.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 514 | ALA | 0 | 0.036 | 0.034 | 17.042 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 515 | ASP | -1 | -0.763 | -0.859 | 14.887 | -19.893 | -19.893 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 516 | PHE | 0 | -0.007 | -0.024 | 13.509 | 0.743 | 0.743 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 517 | SER | 0 | -0.144 | -0.082 | 14.123 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 518 | LEU | 0 | -0.012 | 0.002 | 15.751 | 0.678 | 0.678 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 519 | LEU | 0 | -0.011 | -0.001 | 18.397 | 0.759 | 0.759 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 520 | LYS | 1 | 0.847 | 0.915 | 15.821 | 16.527 | 16.527 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 521 | GLU | -1 | -0.787 | -0.892 | 20.740 | -12.226 | -12.226 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 522 | PRO | 0 | 0.004 | -0.014 | 24.089 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 523 | ALA | 0 | 0.051 | 0.029 | 25.805 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 524 | ALA | 0 | 0.081 | 0.037 | 22.538 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 525 | LYS | 1 | 0.818 | 0.903 | 19.490 | 13.902 | 13.902 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 526 | LEU | 0 | -0.013 | -0.015 | 22.262 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 527 | LEU | 0 | 0.020 | 0.004 | 24.706 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 528 | ILE | 0 | -0.006 | -0.010 | 17.907 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 529 | ARG | 1 | 0.778 | 0.855 | 20.685 | 12.489 | 12.489 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 530 | LEU | 0 | -0.007 | 0.001 | 21.844 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 531 | LEU | 0 | -0.004 | 0.031 | 21.211 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 532 | GLY | 0 | 0.012 | 0.012 | 20.206 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 533 | GLN | 0 | 0.016 | -0.006 | 20.833 | 0.358 | 0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 534 | TYR | 0 | 0.013 | 0.022 | 24.195 | 0.427 | 0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 535 | PRO | 0 | 0.083 | 0.029 | 21.770 | 0.489 | 0.489 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 536 | ASP | -1 | -0.724 | -0.821 | 24.295 | -12.243 | -12.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 537 | VAL | 0 | -0.058 | -0.025 | 26.076 | 0.478 | 0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 538 | LEU | 0 | -0.001 | 0.006 | 28.458 | 0.478 | 0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 539 | ARG | 1 | 0.880 | 0.928 | 27.722 | 10.830 | 10.830 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 540 | ASN | 0 | -0.036 | -0.037 | 29.712 | 0.332 | 0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 541 | ALA | 0 | 0.018 | 0.004 | 31.982 | 0.322 | 0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 542 | ILE | 0 | 0.000 | 0.008 | 32.426 | 0.313 | 0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 543 | LYS | 1 | 0.913 | 0.976 | 33.827 | 9.335 | 9.335 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 544 | THR | 0 | -0.052 | -0.034 | 35.814 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 545 | HIS | 0 | 0.033 | 0.037 | 37.821 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 546 | GLU | -1 | -0.805 | -0.899 | 38.518 | -7.154 | -7.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 547 | PRO | 0 | 0.050 | 0.039 | 37.986 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 548 | THR | 0 | 0.014 | 0.008 | 37.813 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 549 | THR | 0 | -0.061 | -0.045 | 33.229 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 550 | VAL | 0 | 0.017 | 0.009 | 32.791 | -0.302 | -0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 551 | VAL | 0 | 0.025 | 0.021 | 34.106 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 552 | THR | 0 | -0.009 | -0.011 | 35.045 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 553 | TYR | 0 | -0.066 | -0.056 | 25.757 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 554 | LEU | 0 | 0.043 | 0.016 | 31.595 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 555 | PHE | 0 | 0.039 | 0.045 | 33.379 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 556 | LYS | 1 | 0.918 | 0.961 | 30.908 | 9.642 | 9.642 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 557 | LEU | 0 | 0.006 | 0.009 | 27.258 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 558 | THR | 0 | 0.033 | -0.012 | 30.439 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 559 | HIS | 1 | 0.776 | 0.891 | 33.334 | 8.471 | 8.471 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 560 | GLN | 0 | 0.055 | 0.038 | 27.881 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 561 | VAL | 0 | 0.041 | 0.010 | 28.921 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 562 | SER | 0 | -0.030 | -0.024 | 30.802 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 563 | SER | 0 | -0.028 | -0.011 | 31.761 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 564 | CYS | 0 | -0.070 | -0.029 | 28.154 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 565 | TYR | 0 | -0.016 | -0.014 | 30.452 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 566 | ASP | -1 | -0.935 | -0.948 | 33.007 | -8.185 | -8.185 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 567 | VAL | 0 | 0.031 | 0.015 | 30.409 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 568 | LEU | 0 | -0.073 | -0.033 | 25.935 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 569 | TRP | 0 | 0.002 | 0.019 | 29.515 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 570 | VAL | 0 | 0.024 | 0.014 | 28.010 | -0.342 | -0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 571 | ALA | 0 | 0.014 | 0.002 | 30.066 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 572 | GLY | 0 | 0.020 | 0.006 | 32.850 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 573 | GLN | 0 | -0.051 | -0.016 | 27.854 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 574 | THR | 0 | 0.059 | 0.020 | 24.621 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 575 | GLU | -1 | -0.831 | -0.915 | 24.439 | -11.981 | -11.981 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 576 | GLU | -1 | -0.903 | -0.937 | 20.322 | -14.167 | -14.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 577 | LEU | 0 | 0.021 | 0.014 | 21.966 | -0.364 | -0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 578 | ALA | 0 | 0.010 | 0.003 | 23.850 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 579 | THR | 0 | -0.006 | -0.025 | 21.596 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 580 | ALA | 0 | -0.010 | 0.002 | 20.130 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 581 | ARG | 1 | 0.848 | 0.905 | 21.346 | 11.232 | 11.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 582 | LEU | 0 | -0.008 | 0.000 | 24.423 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 583 | ALA | 0 | 0.006 | 0.016 | 20.457 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 584 | LEU | 0 | -0.024 | -0.006 | 21.557 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 585 | TYR | 0 | -0.030 | -0.041 | 23.059 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 586 | GLY | 0 | 0.042 | 0.026 | 25.917 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 587 | ALA | 0 | -0.005 | -0.005 | 22.159 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 588 | ALA | 0 | 0.004 | -0.009 | 24.223 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 589 | ARG | 1 | 0.819 | 0.891 | 26.764 | 10.539 | 10.539 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 590 | GLN | 0 | -0.022 | -0.005 | 25.958 | 0.379 | 0.379 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 591 | VAL | 0 | -0.011 | -0.007 | 24.806 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 592 | LEU | 0 | -0.021 | -0.006 | 27.815 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 593 | TYR | 0 | 0.028 | 0.001 | 31.034 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 594 | ASN | 0 | -0.022 | -0.020 | 26.943 | 0.480 | 0.480 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 595 | GLY | 0 | 0.031 | 0.017 | 31.141 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 596 | MET | 0 | -0.032 | -0.019 | 32.876 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 597 | ARG | 1 | 0.950 | 0.980 | 34.333 | 8.945 | 8.945 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 598 | LEU | 0 | -0.042 | 0.002 | 32.432 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 599 | LEU | 0 | -0.049 | -0.039 | 35.659 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 600 | GLY | 0 | 0.057 | 0.036 | 38.578 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 601 | LEU | 0 | -0.011 | 0.003 | 39.058 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 602 | THR | 0 | 0.049 | 0.018 | 39.241 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 603 | PRO | 0 | -0.053 | -0.015 | 35.518 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 604 | VAL | 0 | 0.025 | 0.029 | 38.345 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 605 | GLU | -1 | -0.807 | -0.886 | 36.520 | -8.845 | -8.845 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 606 | ARG | 1 | 0.859 | 0.922 | 39.363 | 7.310 | 7.310 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 607 | MET | -1 | -0.844 | -0.892 | 42.050 | -7.007 | -7.007 | 0.000 | 0.000 | 0.000 | 0.000 |