FMODB: The database of quantum mechanical data based on the FMO method
Last updated: 2025-12-18
All entries: 87239
Number of unique PDB entries: 32030
FMODB ID: Z95LN
Calculation Name: 1FWX-A-Xray549
Preferred Name:
Target Type:
Ligand Name: (mu-4-sulfido)-tetra-nuclear copper ion | dinuclear copper ion
Ligand 3-letter code: CUZ | CUA
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 1FWX
Chain ID: A
UniProt ID: Q51705
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 | 591 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -13037644.031644 |
|---|---|
| FMO2-HF: Nuclear repulsion | 12801818.654919 |
| FMO2-HF: Total energy | -235825.376725 |
| FMO2-MP2: Total energy | -236500.272765 |
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:8:ALA)
Summations of interaction energy for
fragment #1(A:8: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. |
| -309.197 | -306.049 | 7.162 | -5.066 | -5.246 | -0.049 |
Interaction energy analysis for fragmet #1(A:8: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 | 10 | GLY | 0 | 0.060 | 0.029 | 3.872 | 3.024 | 4.760 | -0.008 | -0.813 | -0.915 | -0.002 |
| 399 | A | 391 | TRP | 0 | 0.011 | -0.004 | 2.527 | -8.655 | -7.753 | 0.172 | -0.389 | -0.686 | -0.004 |
| 426 | A | 418 | ASP | -1 | -0.849 | -0.905 | 2.899 | -76.778 | -74.103 | 0.215 | -1.564 | -1.327 | -0.015 |
| 433 | A | 425 | VAL | 0 | -0.028 | -0.013 | 4.737 | 1.083 | 1.147 | -0.001 | -0.004 | -0.059 | 0.000 |
| 435 | A | 427 | VAL | 0 | -0.095 | -0.056 | 1.712 | -10.924 | -13.183 | 6.785 | -2.268 | -2.258 | -0.028 |
| 436 | A | 428 | HIS | 0 | 0.037 | 0.026 | 4.448 | -0.483 | -0.453 | -0.001 | -0.028 | -0.001 | 0.000 |
| 4 | A | 11 | SER | 0 | -0.057 | -0.065 | 5.436 | 8.805 | 8.805 | 0.000 | 0.000 | 0.000 | 0.000 |
| 5 | A | 12 | VAL | 0 | -0.011 | 0.021 | 7.890 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 13 | ALA | 0 | -0.015 | -0.012 | 10.408 | 2.016 | 2.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 14 | PRO | 0 | 0.021 | -0.015 | 12.388 | 0.802 | 0.802 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 15 | GLY | 0 | -0.025 | -0.010 | 16.169 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 16 | GLN | 0 | -0.064 | -0.016 | 12.283 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 17 | LEU | 0 | 0.023 | 0.006 | 14.550 | 0.437 | 0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 18 | ASP | -1 | -0.774 | -0.848 | 12.042 | -26.561 | -26.561 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 19 | ASP | -1 | -0.919 | -0.950 | 9.564 | -28.397 | -28.397 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 20 | TYR | 0 | -0.077 | -0.083 | 10.263 | 2.760 | 2.760 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 21 | TYR | 0 | 0.034 | 0.029 | 14.373 | -0.673 | -0.673 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 22 | GLY | 0 | 0.010 | 0.000 | 16.095 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 23 | PHE | 0 | -0.004 | -0.016 | 16.741 | 0.742 | 0.742 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 24 | TRP | 0 | 0.014 | -0.022 | 13.904 | -0.559 | -0.559 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 25 | SER | 0 | -0.004 | -0.014 | 20.746 | 0.791 | 0.791 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 26 | SER | 0 | -0.068 | -0.073 | 22.622 | -0.372 | -0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 27 | GLY | 0 | 0.083 | 0.058 | 24.997 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 28 | GLN | 0 | 0.025 | 0.004 | 27.596 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 29 | SER | 0 | -0.051 | -0.021 | 26.975 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 30 | GLY | 0 | -0.018 | -0.003 | 29.284 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 31 | GLU | -1 | -0.837 | -0.906 | 26.273 | -11.773 | -11.773 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 32 | MET | 0 | 0.025 | 0.038 | 24.376 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 33 | ARG | 1 | 0.762 | 0.869 | 21.482 | 13.617 | 13.617 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 34 | ILE | 0 | 0.024 | 0.013 | 19.888 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 35 | LEU | 0 | -0.009 | -0.004 | 15.373 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 36 | GLY | 0 | 0.003 | 0.019 | 14.515 | 0.439 | 0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 37 | ILE | 0 | -0.047 | -0.009 | 10.155 | -1.568 | -1.568 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 38 | PRO | 0 | 0.023 | 0.005 | 6.362 | 1.131 | 1.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 39 | SER | 0 | -0.029 | -0.062 | 8.208 | -1.707 | -1.707 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 40 | MET | 0 | -0.040 | -0.015 | 9.355 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 41 | ARG | 1 | 0.835 | 0.919 | 12.125 | 24.180 | 24.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 42 | GLU | -1 | -0.802 | -0.897 | 15.249 | -14.110 | -14.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 43 | LEU | 0 | -0.059 | -0.027 | 17.032 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 44 | MET | 0 | 0.013 | 0.007 | 20.456 | 0.850 | 0.850 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 45 | ARG | 1 | 0.805 | 0.891 | 23.321 | 12.514 | 12.514 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 46 | VAL | 0 | 0.019 | 0.012 | 25.931 | 0.357 | 0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 47 | PRO | 0 | -0.017 | 0.000 | 28.438 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 48 | VAL | 0 | -0.003 | -0.011 | 30.143 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 49 | PHE | 0 | -0.010 | -0.021 | 32.136 | 0.402 | 0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 50 | ASN | 0 | 0.019 | 0.034 | 30.614 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 51 | ARG | 1 | 0.849 | 0.916 | 34.363 | 8.297 | 8.297 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 52 | CYS | -1 | -0.772 | -0.767 | 33.527 | -9.841 | -9.841 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 53 | SER | 0 | -0.034 | -0.028 | 34.952 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 54 | ALA | 0 | 0.006 | 0.000 | 32.954 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 55 | THR | 0 | -0.007 | -0.117 | 32.660 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 56 | GLY | 0 | 0.027 | 0.026 | 35.681 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 57 | TRP | 0 | -0.008 | -0.013 | 35.412 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 58 | GLY | 0 | 0.032 | -0.002 | 37.414 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 59 | GLN | 0 | -0.084 | -0.062 | 40.025 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 60 | THR | 0 | 0.055 | 0.041 | 39.825 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 61 | ASN | 0 | -0.046 | -0.027 | 42.837 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 62 | GLU | -1 | -0.739 | -0.834 | 41.411 | -7.368 | -7.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 63 | SER | 0 | 0.012 | 0.005 | 38.822 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 64 | VAL | 0 | -0.038 | -0.022 | 40.472 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 65 | ARG | 1 | 0.885 | 0.932 | 43.459 | 7.091 | 7.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 66 | ILE | 0 | -0.018 | -0.004 | 37.970 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 67 | HIS | 0 | -0.053 | -0.023 | 37.600 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 68 | GLU | -1 | -0.821 | -0.890 | 41.853 | -6.675 | -6.675 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 69 | ARG | 1 | 0.757 | 0.872 | 41.319 | 7.756 | 7.756 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 70 | THR | 0 | 0.013 | 0.002 | 42.973 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 71 | MET | 0 | -0.035 | 0.014 | 44.621 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 72 | SER | 0 | -0.035 | -0.045 | 46.509 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 860 | GLU | -1 | -0.800 | -0.914 | 49.239 | -6.091 | -6.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 861 | ARG | 1 | 0.783 | 0.889 | 50.426 | 6.338 | 6.338 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 862 | THR | 0 | 0.008 | -0.001 | 44.871 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 863 | LYS | 1 | 0.937 | 0.950 | 48.128 | 6.150 | 6.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 864 | LYS | 1 | 0.917 | 0.961 | 49.888 | 5.827 | 5.827 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 865 | PHE | 0 | -0.011 | -0.005 | 45.435 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 866 | LEU | 0 | 0.000 | 0.009 | 44.288 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 867 | ALA | 0 | 0.031 | 0.023 | 48.400 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 868 | ALA | 0 | -0.079 | -0.040 | 51.765 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 869 | ASN | 0 | -0.091 | -0.051 | 47.764 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 870 | GLY | 0 | -0.022 | -0.005 | 48.678 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 871 | LYS | 1 | 0.814 | 0.899 | 42.019 | 7.524 | 7.524 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 872 | ARG | 1 | 0.808 | 0.864 | 46.870 | 6.827 | 6.827 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 873 | ILE | 0 | 0.028 | 0.017 | 40.805 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 73 | HIS | 0 | 0.012 | -0.002 | 39.827 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 74 | ASP | -1 | -0.853 | -0.907 | 38.880 | -8.011 | -8.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 75 | ASN | 0 | 0.039 | 0.018 | 35.645 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 76 | GLY | 0 | 0.042 | 0.009 | 34.299 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 77 | ASP | -1 | -0.888 | -0.934 | 30.291 | -10.630 | -10.630 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 78 | LEU | 0 | 0.008 | 0.016 | 26.834 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 79 | HIS | 0 | -0.064 | -0.065 | 26.484 | -0.757 | -0.757 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 80 | HIS | 1 | 0.840 | 0.895 | 25.009 | 11.082 | 11.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 81 | VAL | 0 | 0.036 | 0.018 | 23.387 | 0.447 | 0.447 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 82 | HIS | 0 | -0.040 | -0.014 | 23.525 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 83 | MET | 0 | -0.010 | 0.021 | 22.985 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 84 | SER | 0 | -0.046 | -0.051 | 25.826 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 85 | PHE | 0 | 0.009 | -0.001 | 25.148 | -0.411 | -0.411 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 86 | THR | 0 | -0.033 | -0.036 | 28.923 | 0.636 | 0.636 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 87 | GLU | -1 | -0.955 | -0.976 | 29.295 | -9.950 | -9.950 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 88 | GLY | 0 | -0.019 | -0.012 | 28.348 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 89 | LYS | 1 | 0.872 | 0.917 | 24.288 | 12.152 | 12.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 90 | TYR | 0 | 0.044 | 0.011 | 20.345 | 0.507 | 0.507 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 91 | ASP | -1 | -0.762 | -0.857 | 25.141 | -10.661 | -10.661 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 92 | GLY | 0 | 0.046 | 0.014 | 25.859 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 93 | ARG | 1 | 0.797 | 0.908 | 26.746 | 9.821 | 9.821 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 94 | PHE | 0 | 0.005 | -0.013 | 29.517 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 95 | LEU | 0 | 0.003 | 0.006 | 23.705 | -0.405 | -0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 96 | PHE | 0 | 0.022 | -0.004 | 27.939 | 0.443 | 0.443 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 97 | MET | 0 | -0.001 | 0.001 | 28.207 | -0.501 | -0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 98 | ASN | 0 | 0.000 | -0.001 | 29.661 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 99 | ASP | -1 | -0.702 | -0.847 | 31.574 | -9.175 | -9.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 100 | LYS | 1 | 0.848 | 0.921 | 33.047 | 9.731 | 9.731 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 101 | ALA | 0 | -0.030 | -0.015 | 34.848 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 102 | ASN | 0 | -0.064 | -0.044 | 36.770 | 0.395 | 0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 103 | THR | 0 | -0.055 | -0.018 | 38.144 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 104 | ARG | 1 | 0.822 | 0.894 | 37.040 | 8.755 | 8.755 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 105 | VAL | 0 | 0.008 | 0.000 | 34.751 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 106 | ALA | 0 | -0.015 | -0.004 | 32.925 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 107 | ARG | 1 | 0.773 | 0.862 | 32.284 | 8.567 | 8.567 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 108 | VAL | 0 | 0.030 | 0.013 | 28.132 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 109 | ARG | 1 | 0.771 | 0.833 | 30.424 | 8.953 | 8.953 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 110 | CYS | 0 | -0.005 | -0.008 | 26.252 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 111 | ASP | -1 | -0.751 | -0.852 | 27.895 | -9.971 | -9.971 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 112 | VAL | 0 | 0.001 | 0.009 | 30.355 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 113 | MET | 0 | -0.063 | -0.005 | 24.082 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 114 | LYS | 1 | 0.882 | 0.936 | 28.877 | 10.092 | 10.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 115 | CYS | 0 | -0.035 | -0.011 | 31.856 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 116 | ASP | -1 | -0.795 | -0.894 | 33.405 | -8.876 | -8.876 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 117 | ALA | 0 | -0.004 | 0.005 | 35.964 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 118 | ILE | 0 | 0.021 | 0.008 | 36.410 | -0.296 | -0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 119 | LEU | 0 | -0.001 | -0.001 | 38.498 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 120 | GLU | -1 | -0.737 | -0.823 | 39.625 | -7.260 | -7.260 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 121 | ILE | 0 | -0.012 | -0.009 | 38.893 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 122 | PRO | 0 | 0.029 | 0.022 | 42.201 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 123 | ASN | 0 | -0.029 | -0.020 | 44.782 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 124 | ALA | 0 | -0.009 | 0.005 | 41.126 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 125 | LYS | 1 | 0.941 | 0.963 | 41.675 | 7.347 | 7.347 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 126 | GLY | 0 | 0.098 | 0.072 | 37.730 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 127 | ILE | 0 | -0.050 | -0.026 | 34.541 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 128 | HIS | 0 | 0.029 | 0.039 | 29.589 | -0.537 | -0.537 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 129 | GLY | 0 | -0.009 | 0.014 | 30.320 | -0.377 | -0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 130 | LEU | 0 | -0.006 | -0.023 | 29.890 | 0.375 | 0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 131 | ARG | 1 | 0.788 | 0.874 | 23.742 | 12.060 | 12.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 132 | PRO | 0 | -0.027 | 0.002 | 28.115 | 0.435 | 0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 133 | GLN | 0 | 0.020 | 0.013 | 30.391 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 134 | LYS | 1 | 0.843 | 0.942 | 25.744 | 11.952 | 11.952 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 135 | TRP | 0 | 0.011 | 0.029 | 30.387 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 136 | PRO | 0 | 0.004 | -0.006 | 33.259 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 137 | ARG | 1 | 0.849 | 0.872 | 32.862 | 8.538 | 8.538 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 138 | SER | 0 | -0.020 | -0.009 | 31.262 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 139 | ASN | 0 | -0.012 | 0.010 | 33.622 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 140 | TYR | 0 | -0.049 | -0.053 | 36.561 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 141 | VAL | 0 | -0.012 | -0.004 | 32.423 | -0.368 | -0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 142 | PHE | 0 | 0.005 | 0.008 | 33.727 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 143 | CYS | 0 | -0.025 | -0.024 | 33.596 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 144 | ASN | 0 | 0.013 | 0.000 | 33.477 | 0.475 | 0.475 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 145 | GLY | 0 | 0.031 | 0.018 | 36.255 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 146 | GLU | -1 | -0.796 | -0.865 | 33.795 | -9.334 | -9.334 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 147 | ASP | -1 | -0.885 | -0.957 | 37.577 | -8.221 | -8.221 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 148 | GLU | -1 | -0.833 | -0.904 | 40.533 | -7.676 | -7.676 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 149 | THR | 0 | -0.080 | -0.057 | 43.817 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 150 | PRO | 0 | 0.011 | 0.020 | 46.804 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 151 | LEU | 0 | 0.021 | 0.009 | 49.608 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 152 | VAL | 0 | -0.020 | -0.004 | 50.793 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 153 | ASN | 0 | 0.042 | 0.045 | 47.994 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 154 | ASP | -1 | -0.848 | -0.919 | 51.794 | -5.774 | -5.774 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 155 | GLY | 0 | 0.019 | 0.006 | 54.291 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 156 | THR | 0 | -0.112 | -0.087 | 55.289 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 157 | ASN | 0 | -0.010 | -0.019 | 54.338 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 158 | MET | 0 | -0.003 | 0.010 | 52.634 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 159 | GLU | -1 | -0.911 | -0.939 | 52.827 | -5.645 | -5.645 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 160 | ASP | -1 | -0.866 | -0.911 | 54.804 | -5.816 | -5.816 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 161 | VAL | 0 | 0.041 | 0.001 | 49.163 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 162 | ALA | 0 | -0.022 | 0.006 | 50.487 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 840 | ASN | 0 | -0.109 | -0.070 | 51.964 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 163 | TYR | 0 | -0.043 | -0.032 | 46.897 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 164 | VAL | 0 | -0.072 | -0.046 | 46.751 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 165 | ASN | 0 | 0.028 | 0.016 | 40.639 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 166 | VAL | 0 | -0.010 | -0.016 | 42.102 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 167 | PHE | 0 | 0.024 | 0.022 | 35.915 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 168 | THR | 0 | -0.022 | -0.016 | 38.947 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 169 | ALA | 0 | 0.039 | 0.029 | 38.341 | -0.296 | -0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 170 | VAL | 0 | -0.016 | -0.011 | 37.365 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 171 | ASP | -1 | -0.843 | -0.926 | 38.177 | -7.940 | -7.940 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 172 | ALA | 0 | 0.035 | 0.002 | 34.841 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 173 | ASP | -1 | -0.825 | -0.886 | 36.548 | -8.778 | -8.778 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 174 | LYS | 1 | 0.896 | 0.942 | 38.700 | 7.125 | 7.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 175 | TRP | 0 | -0.039 | -0.005 | 33.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 176 | GLU | -1 | -0.816 | -0.891 | 39.703 | -7.164 | -7.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 177 | VAL | 0 | -0.017 | -0.011 | 41.809 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 178 | ALA | 0 | -0.045 | -0.006 | 42.485 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 179 | TRP | 0 | -0.010 | -0.027 | 40.465 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 180 | GLN | 0 | 0.004 | -0.009 | 42.850 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 181 | VAL | 0 | -0.015 | -0.003 | 42.996 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 182 | LEU | 0 | -0.011 | 0.011 | 43.883 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 183 | VAL | 0 | -0.001 | -0.008 | 41.357 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 184 | SER | 0 | -0.031 | -0.022 | 44.655 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 185 | GLY | 0 | 0.039 | 0.015 | 42.478 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 186 | ASN | 0 | 0.032 | 0.028 | 36.992 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 187 | LEU | 0 | -0.062 | -0.007 | 36.718 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 188 | ASP | -1 | -0.732 | -0.859 | 30.975 | -10.410 | -10.410 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 189 | ASN | 0 | -0.040 | -0.026 | 28.026 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 190 | CYS | 0 | 0.000 | -0.003 | 30.008 | 0.327 | 0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 191 | ASP | -1 | -0.829 | -0.899 | 26.953 | -12.314 | -12.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 192 | ALA | 0 | 0.005 | 0.007 | 29.993 | 0.441 | 0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 193 | ASP | -1 | -0.752 | -0.886 | 30.278 | -9.657 | -9.657 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 194 | TYR | 0 | -0.037 | -0.036 | 24.625 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 195 | GLU | -1 | -0.982 | -0.993 | 31.432 | -8.715 | -8.715 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 196 | GLY | 0 | -0.003 | 0.000 | 34.892 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 197 | LYS | 1 | 0.798 | 0.906 | 36.260 | 8.496 | 8.496 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 198 | TRP | 0 | -0.040 | -0.034 | 35.568 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 199 | ALA | 0 | 0.016 | 0.027 | 34.745 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 200 | PHE | 0 | -0.007 | -0.027 | 30.631 | 0.291 | 0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 201 | SER | 0 | 0.011 | -0.013 | 33.216 | -0.342 | -0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 202 | THR | 0 | -0.016 | 0.002 | 30.865 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 203 | SER | 0 | -0.045 | -0.029 | 33.834 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 204 | TYR | 0 | -0.096 | -0.073 | 34.015 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 205 | ASN | 0 | 0.022 | 0.005 | 36.376 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 206 | SER | 0 | -0.064 | -0.052 | 40.090 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 207 | GLU | -1 | -0.815 | -0.918 | 41.833 | -7.543 | -7.543 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 208 | LYS | 1 | 0.801 | 0.903 | 43.889 | 6.802 | 6.802 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 209 | GLY | 0 | 0.020 | 0.016 | 44.438 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 210 | MET | 0 | -0.003 | -0.005 | 44.293 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 211 | THR | 0 | -0.072 | -0.042 | 43.947 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 212 | LEU | 0 | 0.056 | 0.019 | 37.552 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 213 | PRO | 0 | -0.031 | -0.021 | 41.108 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 214 | GLU | -1 | -0.856 | -0.907 | 43.387 | -6.724 | -6.724 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 215 | MET | 0 | -0.069 | -0.016 | 39.732 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 216 | THR | 0 | -0.022 | -0.023 | 37.606 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 217 | ALA | 0 | -0.027 | 0.001 | 40.296 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 218 | ALA | 0 | -0.048 | -0.019 | 41.431 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 219 | GLU | -1 | -0.956 | -0.980 | 40.135 | -7.611 | -7.611 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 220 | MET | 0 | -0.096 | -0.050 | 38.610 | -0.334 | -0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 221 | ASP | -1 | -0.716 | -0.815 | 37.049 | -8.171 | -8.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 222 | HIS | 0 | -0.017 | -0.029 | 38.353 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 223 | ILE | 0 | 0.015 | 0.019 | 33.371 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 224 | VAL | 0 | -0.017 | -0.012 | 36.565 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 225 | VAL | 0 | -0.013 | -0.002 | 36.796 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 226 | PHE | 0 | 0.041 | -0.008 | 37.607 | 0.332 | 0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 227 | ASN | 0 | 0.000 | -0.006 | 39.726 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 228 | ILE | 0 | 0.013 | 0.007 | 38.304 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 229 | ALA | 0 | 0.054 | 0.033 | 41.850 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 230 | GLU | -1 | -0.787 | -0.879 | 44.756 | -6.347 | -6.347 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 231 | ILE | 0 | -0.005 | 0.009 | 42.778 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 232 | GLU | -1 | -0.857 | -0.899 | 42.887 | -7.410 | -7.410 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 233 | LYS | 1 | 0.824 | 0.903 | 46.755 | 6.464 | 6.464 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 234 | ALA | 0 | 0.026 | 0.016 | 49.863 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 235 | ILE | 0 | -0.041 | -0.027 | 47.139 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 236 | ALA | 0 | -0.076 | -0.037 | 50.315 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 237 | ALA | 0 | -0.052 | -0.020 | 51.975 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 238 | GLY | 0 | -0.012 | -0.005 | 54.115 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 239 | ASP | -1 | -0.967 | -0.962 | 54.055 | -5.727 | -5.727 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 240 | TYR | 0 | -0.030 | -0.037 | 51.550 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 241 | GLN | 0 | -0.021 | -0.007 | 52.688 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 242 | GLU | -1 | -0.943 | -0.976 | 52.383 | -6.072 | -6.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 243 | LEU | 0 | -0.036 | -0.018 | 51.043 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 244 | ASN | 0 | -0.072 | -0.058 | 49.878 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 245 | GLY | 0 | 0.032 | 0.026 | 50.165 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 246 | VAL | 0 | 0.005 | 0.013 | 45.870 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 249 | LYS | 1 | 0.925 | 0.979 | 48.632 | 6.565 | 6.565 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 250 | VAL | 0 | 0.012 | 0.002 | 47.461 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 251 | VAL | 0 | 0.035 | 0.019 | 47.158 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 252 | ASP | -1 | -0.769 | -0.879 | 48.128 | -6.556 | -6.556 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 253 | GLY | 0 | 0.066 | 0.039 | 45.952 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 254 | ARG | 1 | 0.836 | 0.940 | 46.197 | 6.217 | 6.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 255 | LYS | 1 | 0.872 | 0.945 | 43.794 | 7.315 | 7.315 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 256 | GLU | -1 | -0.829 | -0.930 | 48.744 | -6.386 | -6.386 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 810 | ALA | 0 | -0.025 | -0.006 | 50.796 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 811 | SER | 0 | -0.074 | -0.030 | 51.408 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 257 | SER | 0 | -0.017 | 0.000 | 49.228 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 258 | LEU | 0 | 0.007 | -0.010 | 48.709 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 259 | PHE | 0 | 0.004 | 0.000 | 45.818 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 260 | THR | 0 | -0.010 | -0.012 | 42.816 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 261 | ARG | 1 | 0.782 | 0.894 | 42.236 | 7.093 | 7.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 262 | TYR | 0 | 0.010 | -0.016 | 41.166 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 263 | ILE | 0 | 0.001 | -0.003 | 37.737 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 264 | PRO | 0 | -0.011 | -0.005 | 38.425 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 265 | ILE | 0 | -0.010 | -0.015 | 33.047 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 266 | ALA | 0 | 0.025 | 0.001 | 34.201 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 267 | ASN | 0 | -0.022 | -0.024 | 34.048 | -0.362 | -0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 268 | ASN | 0 | 0.051 | 0.014 | 33.857 | -0.455 | -0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 269 | PRO | 0 | -0.020 | 0.004 | 31.184 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 270 | HIS | 0 | -0.032 | -0.041 | 26.040 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 271 | GLY | 0 | 0.028 | 0.029 | 26.101 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 272 | CYS | 0 | -0.029 | -0.018 | 26.658 | 0.492 | 0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 273 | ASN | 0 | 0.003 | 0.008 | 23.329 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 274 | MET | 0 | -0.004 | 0.010 | 25.866 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 275 | ALA | 0 | 0.018 | 0.015 | 23.821 | -0.469 | -0.469 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 276 | PRO | 0 | 0.010 | 0.004 | 20.695 | 0.584 | 0.584 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 277 | ASP | -1 | -0.798 | -0.884 | 23.977 | -11.660 | -11.660 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 278 | LYS | 1 | 0.879 | 0.934 | 26.331 | 10.937 | 10.937 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 279 | LYS | 1 | 0.921 | 0.967 | 29.010 | 10.174 | 10.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 280 | HIS | 1 | 0.821 | 0.898 | 27.510 | 11.353 | 11.353 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 281 | LEU | 0 | 0.058 | 0.038 | 27.704 | -0.432 | -0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 282 | CYS | 0 | -0.071 | -0.019 | 25.386 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 283 | VAL | 0 | 0.025 | 0.007 | 27.448 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 284 | ALA | 0 | -0.030 | 0.001 | 25.392 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 285 | GLY | 0 | 0.068 | 0.023 | 27.363 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 286 | LYS | 1 | 0.863 | 0.954 | 28.326 | 10.251 | 10.251 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 287 | LEU | 0 | -0.018 | -0.010 | 29.340 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 288 | SER | 0 | 0.016 | 0.029 | 32.070 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 289 | PRO | 0 | 0.005 | 0.005 | 28.593 | -0.332 | -0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 290 | THR | 0 | -0.009 | -0.029 | 27.905 | -0.330 | -0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 291 | VAL | 0 | 0.012 | 0.002 | 24.347 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 292 | THR | 0 | -0.041 | -0.029 | 27.756 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 293 | VAL | 0 | -0.005 | -0.015 | 27.513 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 294 | LEU | 0 | 0.014 | 0.004 | 30.216 | 0.383 | 0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 295 | ASP | -1 | -0.843 | -0.908 | 31.988 | -9.853 | -9.853 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 296 | VAL | 0 | 0.044 | 0.012 | 32.451 | 0.315 | 0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 297 | THR | 0 | -0.106 | -0.075 | 35.192 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 298 | ARG | 1 | 0.881 | 0.940 | 37.582 | 8.773 | 8.773 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 299 | PHE | 0 | 0.015 | 0.012 | 34.720 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 300 | ASP | -1 | -0.788 | -0.889 | 40.209 | -7.632 | -7.632 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 301 | ALA | 0 | 0.033 | 0.017 | 43.012 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 302 | VAL | 0 | -0.034 | -0.008 | 41.756 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 303 | PHE | 0 | -0.045 | -0.021 | 41.261 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 304 | TYR | 0 | -0.074 | -0.063 | 45.470 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 305 | GLU | -1 | -0.974 | -0.980 | 47.357 | -6.649 | -6.649 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 306 | ASN | 0 | -0.083 | -0.033 | 49.242 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 307 | ALA | 0 | 0.012 | 0.013 | 45.106 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 850 | ASP | -1 | -0.831 | -0.938 | 43.822 | -7.404 | -7.404 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 309 | PRO | 0 | 0.022 | 0.019 | 42.233 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 310 | ARG | 1 | 0.812 | 0.880 | 35.930 | 8.419 | 8.419 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 311 | SER | 0 | -0.047 | -0.027 | 39.348 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 312 | ALA | 0 | 0.026 | 0.003 | 37.778 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 313 | VAL | 0 | -0.035 | -0.009 | 34.023 | -0.305 | -0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 314 | VAL | 0 | -0.083 | -0.047 | 31.584 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 315 | ALA | 0 | 0.030 | -0.005 | 29.622 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 316 | GLU | -1 | -0.803 | -0.848 | 30.934 | -9.172 | -9.172 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 317 | PRO | 0 | -0.013 | 0.012 | 26.647 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 318 | GLU | -1 | -0.910 | -0.957 | 28.103 | -10.527 | -10.527 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 319 | LEU | 0 | -0.050 | -0.028 | 22.636 | -0.396 | -0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 320 | GLY | 0 | 0.025 | 0.006 | 23.763 | -0.548 | -0.548 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 321 | LEU | 0 | 0.000 | -0.007 | 25.489 | 0.366 | 0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 322 | GLY | 0 | 0.046 | 0.022 | 25.028 | -0.450 | -0.450 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 323 | PRO | 0 | -0.034 | -0.003 | 24.050 | -0.576 | -0.576 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 324 | LEU | 0 | -0.053 | -0.010 | 23.127 | 0.542 | 0.542 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 325 | HIS | 0 | 0.026 | -0.008 | 21.299 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 326 | THR | 0 | -0.030 | -0.023 | 20.571 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 327 | ALA | 0 | -0.025 | 0.010 | 16.825 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 328 | PHE | 0 | 0.049 | 0.000 | 18.273 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 329 | ASP | -1 | -0.713 | -0.799 | 14.740 | -20.278 | -20.278 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 330 | GLY | 0 | 0.039 | 0.021 | 16.205 | 1.234 | 1.234 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 331 | ARG | 1 | 0.718 | 0.848 | 11.874 | 23.670 | 23.670 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 332 | GLY | 0 | 0.007 | 0.015 | 18.718 | 0.556 | 0.556 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 333 | ASN | 0 | -0.090 | -0.070 | 16.359 | 1.408 | 1.408 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 334 | ALA | 0 | 0.016 | 0.010 | 18.692 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 335 | TYR | 0 | -0.020 | -0.043 | 12.888 | -1.056 | -1.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 336 | THR | 0 | 0.034 | 0.018 | 17.389 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 337 | SER | 0 | 0.018 | 0.009 | 18.616 | -0.508 | -0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 338 | LEU | 0 | -0.043 | -0.007 | 19.529 | 0.821 | 0.821 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 339 | PHE | 0 | 0.039 | 0.005 | 21.197 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 340 | LEU | 0 | -0.022 | -0.032 | 23.195 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 341 | ASP | -1 | -0.817 | -0.911 | 22.192 | -12.718 | -12.718 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 342 | SER | 0 | -0.076 | -0.037 | 18.675 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 343 | GLN | 0 | -0.013 | -0.018 | 17.131 | -0.410 | -0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 344 | VAL | 0 | 0.032 | 0.012 | 13.881 | 0.405 | 0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 345 | VAL | 0 | -0.022 | -0.010 | 16.232 | -0.414 | -0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 346 | LYS | 1 | 0.846 | 0.935 | 12.468 | 23.138 | 23.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 347 | TRP | 0 | 0.011 | -0.015 | 16.891 | 0.813 | 0.813 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 348 | ASN | 0 | -0.028 | -0.019 | 19.745 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 349 | ILE | 0 | 0.050 | 0.034 | 21.947 | 0.545 | 0.545 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 350 | GLU | -1 | -0.865 | -0.942 | 24.938 | -10.690 | -10.690 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 351 | ASP | -1 | -0.878 | -0.961 | 23.364 | -12.673 | -12.673 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 352 | ALA | 0 | -0.006 | -0.004 | 25.964 | 0.375 | 0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 353 | ILE | 0 | -0.016 | -0.008 | 27.646 | 0.437 | 0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 354 | ARG | 1 | 0.825 | 0.907 | 27.384 | 11.298 | 11.298 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 355 | ALA | 0 | 0.000 | 0.002 | 29.211 | 0.336 | 0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 356 | TYR | 0 | -0.051 | -0.013 | 31.234 | 0.343 | 0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 357 | ALA | 0 | -0.031 | -0.010 | 33.559 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 358 | GLY | 0 | -0.010 | 0.003 | 34.797 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 359 | GLU | -1 | -0.900 | -0.941 | 32.295 | -9.766 | -9.766 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 360 | LYS | 1 | 0.877 | 0.929 | 32.638 | 8.781 | 8.781 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 361 | VAL | 0 | -0.032 | -0.018 | 26.672 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 362 | ASP | -1 | -0.851 | -0.914 | 24.906 | -12.397 | -12.397 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 363 | PRO | 0 | 0.008 | 0.001 | 24.431 | -0.357 | -0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 364 | ILE | 0 | -0.017 | -0.013 | 20.111 | -0.837 | -0.837 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 365 | LYS | 1 | 0.841 | 0.936 | 17.280 | 15.644 | 15.644 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 366 | ASP | -1 | -0.824 | -0.934 | 13.066 | -22.767 | -22.767 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 367 | LYS | 1 | 0.849 | 0.939 | 16.246 | 15.045 | 15.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 368 | LEU | 0 | 0.001 | 0.014 | 9.769 | -0.614 | -0.614 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 369 | ASP | -1 | -0.873 | -0.928 | 14.095 | -17.110 | -17.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 370 | VAL | 0 | -0.015 | -0.005 | 12.511 | -1.695 | -1.695 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 371 | HIS | 0 | -0.028 | -0.013 | 12.950 | 0.782 | 0.782 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 372 | TYR | 0 | -0.074 | -0.082 | 16.410 | 0.385 | 0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 373 | GLN | 0 | -0.017 | -0.006 | 19.873 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 374 | PRO | 0 | 0.005 | 0.026 | 17.373 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 375 | GLY | 0 | 0.067 | 0.014 | 19.313 | 0.821 | 0.821 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 376 | HIS | 0 | 0.002 | 0.018 | 19.985 | 0.607 | 0.607 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 377 | LEU | 0 | -0.034 | -0.018 | 15.261 | -0.860 | -0.860 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 378 | LYS | 1 | 0.743 | 0.849 | 15.204 | 16.684 | 16.684 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 379 | THR | 0 | 0.027 | -0.008 | 13.094 | -1.360 | -1.360 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 380 | VAL | 0 | 0.016 | 0.007 | 11.434 | 1.474 | 1.474 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 381 | MET | 0 | -0.015 | 0.016 | 14.314 | 0.756 | 0.756 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 382 | GLY | 0 | 0.004 | 0.017 | 17.241 | 0.929 | 0.929 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 383 | GLU | -1 | -0.792 | -0.890 | 18.557 | -13.687 | -13.687 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 384 | THR | 0 | -0.017 | -0.014 | 20.905 | 0.847 | 0.847 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 385 | LEU | 0 | -0.040 | -0.035 | 22.176 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 386 | ASP | -1 | -0.860 | -0.906 | 20.008 | -13.834 | -13.834 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 387 | ALA | 0 | -0.042 | -0.002 | 17.769 | -0.917 | -0.917 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 388 | THR | 0 | 0.017 | -0.012 | 11.988 | 0.393 | 0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 389 | ASN | 0 | -0.017 | -0.037 | 12.585 | 1.014 | 1.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 390 | ASP | -1 | -0.793 | -0.849 | 7.728 | -29.831 | -29.831 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 392 | LEU | 0 | -0.012 | -0.009 | 8.648 | 3.982 | 3.982 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 393 | VAL | 0 | 0.018 | 0.010 | 9.616 | -2.733 | -2.733 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 394 | CYS | 0 | -0.048 | -0.022 | 11.931 | 2.494 | 2.494 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 395 | LEU | 0 | 0.021 | 0.023 | 14.200 | -0.676 | -0.676 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 396 | SER | 0 | -0.033 | -0.015 | 15.961 | 1.260 | 1.260 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 397 | LYS | 1 | 0.832 | 0.908 | 18.370 | 13.833 | 13.833 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 398 | PHE | 0 | -0.039 | -0.020 | 20.782 | 0.811 | 0.811 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 399 | SER | 0 | 0.021 | 0.007 | 18.900 | -0.477 | -0.477 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 400 | LYS | 1 | 0.837 | 0.921 | 19.678 | 12.861 | 12.861 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 401 | ASP | -1 | -0.849 | -0.912 | 20.077 | -15.225 | -15.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 402 | ARG | 1 | 0.826 | 0.901 | 12.054 | 21.982 | 21.982 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 403 | PHE | 0 | 0.001 | 0.010 | 14.383 | -0.537 | -0.537 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 404 | LEU | 0 | -0.005 | -0.003 | 18.859 | 0.816 | 0.816 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 405 | ASN | 0 | 0.015 | -0.007 | 22.076 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 406 | VAL | 0 | 0.011 | 0.015 | 23.969 | 0.405 | 0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 407 | GLY | 0 | 0.009 | 0.019 | 26.481 | 0.389 | 0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 408 | PRO | 0 | -0.049 | -0.043 | 28.453 | -0.303 | -0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 409 | LEU | 0 | 0.018 | 0.029 | 27.528 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 410 | LYS | 1 | 0.833 | 0.907 | 23.376 | 12.094 | 12.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 411 | PRO | 0 | 0.005 | 0.018 | 19.963 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 412 | GLU | -1 | -0.756 | -0.862 | 19.351 | -13.553 | -13.553 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 413 | ASN | 0 | -0.051 | -0.067 | 14.205 | -1.367 | -1.367 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 414 | ASP | -1 | -0.753 | -0.852 | 14.525 | -18.168 | -18.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 415 | GLN | 0 | -0.041 | -0.039 | 10.454 | -0.767 | -0.767 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 416 | LEU | 0 | -0.015 | 0.002 | 5.768 | 0.964 | 0.964 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 417 | ILE | 0 | -0.005 | -0.022 | 6.560 | -3.668 | -3.668 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 419 | ILE | 0 | 0.002 | -0.013 | 5.585 | 4.236 | 4.236 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 420 | SER | 0 | -0.021 | -0.018 | 5.972 | 5.276 | 5.276 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 421 | GLY | 0 | -0.005 | 0.005 | 8.210 | 3.484 | 3.484 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 422 | ASP | -1 | -0.911 | -0.964 | 10.098 | -19.570 | -19.570 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 423 | LYS | 1 | 0.777 | 0.885 | 10.935 | 20.689 | 20.689 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 424 | MET | 0 | -0.014 | 0.012 | 9.044 | -2.222 | -2.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 426 | LEU | 0 | 0.006 | 0.015 | 5.589 | -4.842 | -4.842 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 429 | ASP | -1 | -0.730 | -0.816 | 7.530 | -23.183 | -23.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 430 | GLY | 0 | 0.057 | 0.023 | 11.304 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 431 | PRO | 0 | -0.066 | -0.010 | 13.341 | 1.139 | 1.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 432 | THR | 0 | -0.016 | -0.024 | 16.708 | 0.579 | 0.579 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 433 | PHE | 0 | -0.002 | -0.014 | 19.321 | 0.491 | 0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 434 | ALA | 0 | -0.020 | -0.014 | 23.145 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 435 | GLU | -1 | -0.812 | -0.893 | 23.185 | -11.908 | -11.908 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 436 | PRO | 0 | -0.001 | 0.019 | 19.978 | 0.438 | 0.438 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 437 | HIS | 1 | 0.797 | 0.915 | 22.136 | 12.065 | 12.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 438 | ASP | -1 | -0.751 | -0.874 | 20.587 | -15.472 | -15.472 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 439 | ALA | 0 | 0.025 | 0.036 | 17.319 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 440 | ILE | 0 | -0.032 | 0.007 | 18.218 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 441 | ALA | 0 | 0.021 | 0.008 | 14.543 | -0.525 | -0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 442 | VAL | 0 | 0.021 | -0.011 | 16.476 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 443 | HIS | 0 | 0.054 | 0.043 | 15.763 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 444 | PRO | 0 | 0.051 | 0.005 | 16.622 | 1.005 | 1.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 445 | SER | 0 | -0.050 | -0.027 | 19.740 | 0.857 | 0.857 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 446 | ILE | 0 | -0.010 | 0.007 | 20.697 | 0.650 | 0.650 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 447 | LEU | 0 | -0.030 | -0.019 | 20.915 | 0.499 | 0.499 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 448 | SER | 0 | -0.028 | -0.036 | 24.265 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 449 | ASP | -1 | -0.925 | -0.936 | 26.243 | -9.700 | -9.700 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 450 | ILE | 0 | -0.021 | 0.003 | 23.619 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 451 | LYS | 1 | 0.809 | 0.896 | 27.798 | 9.484 | 9.484 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 452 | SER | 0 | -0.020 | -0.015 | 29.554 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 453 | VAL | 0 | -0.049 | -0.024 | 30.878 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 454 | TRP | 0 | 0.001 | -0.006 | 33.953 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 455 | ASP | -1 | -0.863 | -0.933 | 36.623 | -8.447 | -8.447 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 456 | ARG | 1 | 0.814 | 0.857 | 39.283 | 7.483 | 7.483 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 457 | ASN | 0 | -0.056 | -0.029 | 42.634 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 458 | ASP | -1 | -0.747 | -0.839 | 37.888 | -8.492 | -8.492 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 459 | PRO | 0 | -0.012 | -0.015 | 40.053 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 460 | MET | 0 | -0.051 | -0.016 | 35.963 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 461 | TRP | 0 | 0.019 | 0.011 | 39.076 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 462 | ALA | 0 | -0.017 | -0.001 | 44.282 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 463 | GLU | -1 | -0.869 | -0.925 | 46.804 | -6.547 | -6.547 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 464 | THR | 0 | -0.024 | -0.038 | 46.052 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 465 | ARG | 1 | 0.805 | 0.880 | 46.119 | 6.893 | 6.893 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 466 | ALA | 0 | 0.020 | 0.017 | 49.733 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 467 | GLN | 0 | -0.058 | -0.035 | 52.183 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 468 | ALA | 0 | 0.031 | 0.024 | 51.876 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 469 | GLU | -1 | -0.910 | -0.970 | 52.354 | -6.094 | -6.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 470 | ALA | 0 | -0.083 | -0.042 | 55.626 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 471 | ASP | -1 | -0.788 | -0.846 | 56.403 | -5.630 | -5.630 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 472 | GLY | 0 | -0.048 | -0.015 | 58.341 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 473 | VAL | 0 | -0.054 | -0.023 | 53.680 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 474 | ASP | -1 | -0.831 | -0.911 | 51.985 | -6.315 | -6.315 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 475 | ILE | 0 | -0.008 | -0.010 | 47.146 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 476 | ASP | -1 | -0.777 | -0.850 | 46.915 | -7.081 | -7.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 477 | ASN | 0 | -0.095 | -0.048 | 48.444 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 600 | TRP | 0 | -0.053 | -0.041 | 48.281 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 601 | THR | 0 | 0.015 | 0.008 | 50.986 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 478 | GLU | -1 | -0.857 | -0.914 | 52.295 | -5.994 | -5.994 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 479 | GLU | -1 | -0.932 | -0.954 | 54.871 | -5.437 | -5.437 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 480 | VAL | 0 | -0.032 | -0.027 | 55.830 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 481 | ILE | 0 | 0.023 | 0.027 | 57.592 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 482 | ARG | 1 | 0.810 | 0.888 | 59.188 | 5.336 | 5.336 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 483 | ASP | -1 | -0.816 | -0.895 | 60.224 | -5.324 | -5.324 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 484 | GLY | 0 | 0.000 | 0.002 | 62.179 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 485 | ASN | 0 | -0.029 | -0.018 | 62.362 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 486 | LYS | 1 | 0.873 | 0.937 | 56.971 | 5.614 | 5.614 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 487 | VAL | 0 | -0.027 | -0.022 | 56.828 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 488 | ARG | 1 | 0.738 | 0.838 | 54.344 | 5.601 | 5.601 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 489 | VAL | 0 | -0.017 | -0.010 | 52.507 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 490 | TYR | 0 | -0.005 | -0.032 | 51.116 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 491 | MET | 0 | -0.051 | -0.024 | 48.450 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 492 | SER | 0 | 0.069 | 0.040 | 47.251 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 493 | SER | 0 | -0.063 | -0.042 | 42.880 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 494 | VAL | 0 | 0.055 | 0.039 | 43.541 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 495 | ALA | 0 | -0.012 | 0.009 | 40.658 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 496 | PRO | 0 | -0.076 | -0.030 | 42.766 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 497 | SER | 0 | -0.029 | -0.051 | 44.169 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 498 | PHE | 0 | 0.007 | -0.005 | 43.977 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 499 | SER | 0 | 0.006 | -0.021 | 47.920 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 500 | ILE | 0 | 0.005 | 0.032 | 51.099 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 501 | GLU | -1 | -0.902 | -0.929 | 52.178 | -5.976 | -5.976 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 502 | SER | 0 | -0.088 | -0.061 | 54.086 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 503 | PHE | 0 | 0.040 | 0.030 | 52.116 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 504 | THR | 0 | -0.005 | -0.001 | 57.397 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 505 | VAL | 0 | -0.005 | 0.009 | 56.995 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 506 | LYS | 1 | 0.897 | 0.945 | 60.119 | 5.021 | 5.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 507 | GLU | -1 | -0.852 | -0.945 | 60.579 | -5.291 | -5.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 508 | GLY | 0 | -0.041 | -0.024 | 59.626 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 509 | ASP | -1 | -0.822 | -0.903 | 58.835 | -5.362 | -5.362 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 510 | GLU | -1 | -0.913 | -0.949 | 55.014 | -5.961 | -5.961 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 511 | VAL | 0 | 0.000 | -0.002 | 53.095 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 512 | THR | 0 | 0.025 | 0.022 | 50.024 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 513 | VAL | 0 | -0.033 | -0.008 | 48.221 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 514 | ILE | 0 | 0.009 | -0.005 | 47.549 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 515 | VAL | 0 | -0.025 | -0.009 | 44.379 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 516 | THR | 0 | 0.019 | 0.010 | 44.063 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 517 | ASN | 0 | -0.090 | -0.045 | 38.368 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 518 | LEU | 0 | 0.011 | 0.001 | 42.051 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 519 | ASP | -1 | -0.813 | -0.881 | 39.292 | -7.863 | -7.863 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 520 | GLU | -1 | -0.911 | -0.961 | 38.716 | -8.003 | -8.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 521 | ILE | 0 | -0.093 | -0.042 | 34.325 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 522 | ASP | -1 | -0.783 | -0.899 | 29.563 | -10.897 | -10.897 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 523 | ASP | -1 | -0.921 | -0.966 | 28.730 | -11.131 | -11.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 524 | LEU | 0 | -0.070 | -0.002 | 31.398 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 525 | THR | 0 | -0.021 | -0.021 | 32.684 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 526 | HIS | 1 | 0.794 | 0.856 | 35.457 | 8.252 | 8.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 527 | GLY | 0 | 0.037 | 0.002 | 37.943 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 528 | PHE | 0 | 0.001 | -0.011 | 39.591 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 529 | THR | 0 | 0.005 | -0.006 | 41.130 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 530 | MET | 0 | -0.021 | 0.013 | 43.660 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 531 | GLY | 0 | 0.006 | -0.005 | 46.716 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 532 | ASN | 0 | -0.078 | -0.067 | 47.324 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 533 | TYR | 0 | 0.015 | -0.001 | 48.128 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 534 | GLY | 0 | -0.031 | 0.005 | 45.202 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 535 | VAL | 0 | -0.015 | 0.005 | 44.522 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 536 | ALA | 0 | 0.018 | 0.000 | 39.930 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 537 | MET | 0 | -0.013 | 0.005 | 39.385 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 538 | GLU | -1 | -0.795 | -0.894 | 33.681 | -9.677 | -9.677 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 539 | ILE | 0 | -0.029 | -0.005 | 37.733 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 540 | GLY | 0 | 0.082 | 0.040 | 35.328 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 541 | PRO | 0 | 0.035 | 0.013 | 33.827 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 542 | GLN | 0 | 0.018 | 0.003 | 36.852 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 543 | MET | 0 | -0.058 | 0.028 | 35.656 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 544 | THR | 0 | -0.013 | -0.013 | 39.778 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 545 | SER | 0 | -0.017 | -0.016 | 40.845 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 546 | SER | 0 | -0.042 | -0.048 | 42.978 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 547 | VAL | 0 | 0.037 | 0.011 | 44.688 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 548 | THR | 0 | 0.000 | -0.001 | 46.598 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 549 | PHE | 0 | -0.033 | -0.016 | 49.203 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 550 | VAL | 0 | 0.026 | 0.010 | 51.401 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 551 | ALA | 0 | 0.018 | 0.016 | 54.442 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 552 | ALA | 0 | -0.035 | -0.026 | 55.848 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 553 | ASN | 0 | 0.008 | -0.005 | 54.426 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 554 | PRO | 0 | 0.052 | 0.047 | 57.381 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 555 | GLY | 0 | -0.021 | 0.002 | 58.828 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 556 | VAL | 0 | -0.057 | -0.034 | 55.672 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 557 | TYR | 0 | -0.030 | -0.021 | 51.950 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 558 | TRP | 0 | -0.002 | -0.011 | 49.410 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 559 | TYR | 0 | 0.011 | -0.020 | 47.584 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 560 | TYR | 0 | -0.032 | -0.028 | 40.810 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 561 | CYS | 0 | 0.003 | 0.051 | 39.433 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 562 | GLN | 0 | -0.032 | -0.012 | 37.081 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 563 | TRP | 0 | 0.069 | 0.021 | 31.787 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 564 | PHE | 0 | -0.032 | -0.029 | 34.256 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 565 | CYS | 0 | 0.010 | 0.028 | 34.791 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 566 | HIS | 0 | 0.036 | 0.015 | 37.170 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 567 | ALA | 0 | -0.004 | -0.003 | 39.145 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 568 | LEU | 0 | -0.034 | -0.015 | 40.473 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 569 | HIS | 0 | -0.009 | 0.004 | 38.812 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 570 | MET | 0 | 0.007 | 0.004 | 41.382 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 571 | GLU | -1 | -0.917 | -0.976 | 43.817 | -7.089 | -7.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 572 | MET | 0 | -0.010 | 0.031 | 42.660 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 573 | ARG | 1 | 0.825 | 0.896 | 45.088 | 6.638 | 6.638 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 574 | GLY | 0 | 0.065 | 0.041 | 47.861 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 575 | ARG | 1 | 0.855 | 0.930 | 51.197 | 5.689 | 5.689 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 576 | MET | 0 | 0.051 | 0.041 | 52.867 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 577 | LEU | 0 | -0.084 | -0.048 | 54.954 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 578 | VAL | 0 | 0.020 | 0.019 | 56.691 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 579 | GLU | -1 | -0.887 | -0.952 | 59.701 | -4.967 | -4.967 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 580 | PRO | 0 | -0.068 | -0.056 | 63.470 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 581 | LYS | 0 | 0.002 | 0.032 | 65.006 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |