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: N693Q
Calculation Name: 7ARC-D-Other547
Preferred Name:
Target Type:
Ligand Name: nadph dihydro-nicotinamide-adenine-dinucleotide phosphate | flavin mononucleotide | s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate | iron/sulfur cluster | fe2/s2 (inorganic) cluster | zinc ion
Ligand 3-letter code: NDP | FMN | 8Q1 | SF4 | FES | ZN
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 7ARC
Chain ID: D
Base Structure: ElectronMicroscopy
Registration Date: 2025-10-06
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 | OptAll |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Homology Modeling |
| Water | No |
| Procedure | Manual calculation |
| Remarks |
ac.sh, 23 2024 Oct; Missing atoms/residues were imported from a 100% homology model, which was constructed by MOE. |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 395 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -7064779.114494 |
|---|---|
| FMO2-HF: Nuclear repulsion | 6903960.233295 |
| FMO2-HF: Total energy | -160818.881199 |
| FMO2-MP2: Total energy | -161279.657277 |
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:1:MET)
Summations of interaction energy for
fragment #1(A:1:MET)
| 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. |
| -17.863 | -16.347 | -0.019 | -0.677 | -0.82 | 0 |
Interaction energy analysis for fragmet #1(A:1:MET)
| 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 | 3 | PRO | 0 | 0.051 | 0.029 | 3.868 | -2.221 | -0.705 | -0.019 | -0.677 | -0.820 | 0.000 |
| 4 | A | 4 | LEU | 0 | 0.028 | 0.027 | 6.579 | 0.588 | 0.588 | 0.000 | 0.000 | 0.000 | 0.000 |
| 5 | A | 5 | THR | 0 | 0.012 | 0.002 | 9.103 | 1.469 | 1.469 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 6 | PRO | 0 | -0.001 | 0.013 | 12.712 | 0.576 | 0.576 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 7 | SER | 0 | 0.012 | 0.003 | 15.462 | 0.573 | 0.573 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 8 | LYS | 1 | 0.914 | 0.941 | 18.794 | 15.974 | 15.974 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 9 | VAL | 0 | 0.014 | 0.011 | 22.465 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 10 | SER | 0 | 0.053 | 0.030 | 25.434 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 11 | ASN | 0 | -0.057 | -0.036 | 28.757 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 12 | PHE | 0 | 0.001 | 0.000 | 32.016 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 13 | THR | 0 | 0.052 | 0.030 | 35.334 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 14 | ILE | 0 | -0.007 | 0.011 | 37.244 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 15 | ASN | 0 | -0.003 | -0.008 | 40.586 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 16 | PHE | 0 | 0.037 | 0.024 | 43.757 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 17 | GLY | 0 | 0.006 | 0.002 | 45.547 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 18 | PRO | 0 | -0.016 | -0.018 | 49.106 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 19 | GLN | 0 | -0.041 | -0.033 | 50.548 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 20 | HIS | 0 | 0.008 | 0.001 | 52.774 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 21 | PRO | 0 | -0.023 | 0.012 | 52.903 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 22 | ALA | 0 | 0.032 | 0.018 | 51.019 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 23 | ALA | 0 | 0.029 | 0.024 | 52.002 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 24 | HIS | 0 | 0.026 | 0.002 | 53.715 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 25 | GLY | 0 | -0.014 | -0.020 | 55.934 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 26 | VAL | 0 | -0.048 | -0.023 | 54.118 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 27 | LEU | 0 | 0.040 | 0.037 | 46.696 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 28 | ARG | 1 | 0.896 | 0.948 | 44.479 | 7.065 | 7.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 29 | LEU | 0 | 0.020 | 0.007 | 42.315 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 30 | VAL | 0 | -0.041 | -0.013 | 39.059 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 31 | LEU | 0 | 0.015 | 0.005 | 38.304 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 32 | GLU | -1 | -0.834 | -0.891 | 33.137 | -9.596 | -9.596 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 33 | MET | 0 | 0.003 | -0.002 | 33.483 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 34 | ASP | -1 | -0.901 | -0.968 | 28.478 | -11.060 | -11.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 35 | GLY | 0 | -0.050 | -0.009 | 30.855 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 36 | GLU | -1 | -0.917 | -0.974 | 33.338 | -9.225 | -9.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 37 | ILE | 0 | -0.019 | 0.009 | 31.713 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 38 | ILE | 0 | 0.000 | 0.008 | 33.781 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 39 | LYS | 1 | 0.861 | 0.926 | 28.987 | 10.273 | 10.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 40 | ARG | 1 | 0.778 | 0.867 | 31.926 | 8.705 | 8.705 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 41 | ALA | 0 | 0.002 | -0.001 | 34.420 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 42 | ASP | -1 | -0.884 | -0.951 | 38.233 | -8.101 | -8.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 43 | PRO | 0 | 0.010 | -0.004 | 40.311 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 44 | HIS | 0 | -0.061 | -0.021 | 41.844 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 45 | ILE | 0 | 0.009 | -0.001 | 46.249 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 46 | GLY | 0 | -0.015 | -0.014 | 49.403 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 47 | LEU | 0 | -0.047 | -0.030 | 50.814 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 48 | LEU | 0 | -0.037 | -0.012 | 54.072 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 49 | HIS | 0 | -0.086 | -0.032 | 55.022 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 50 | ARG | 1 | 0.854 | 0.925 | 57.044 | 5.382 | 5.382 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 51 | GLY | 0 | 0.013 | 0.020 | 59.320 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 52 | THR | 0 | -0.041 | -0.053 | 60.567 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 53 | GLU | -1 | -0.770 | -0.891 | 56.380 | -5.662 | -5.662 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 54 | LYS | 1 | 0.903 | 0.965 | 60.893 | 5.169 | 5.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 55 | LEU | 0 | -0.019 | -0.014 | 62.635 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 56 | LEU | 0 | 0.006 | 0.007 | 63.349 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 57 | GLU | -1 | -0.863 | -0.915 | 62.338 | -5.081 | -5.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 58 | TYR | 0 | -0.083 | -0.037 | 65.992 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 59 | LYS | 1 | 0.922 | 0.978 | 69.931 | 4.594 | 4.594 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 60 | THR | 0 | 0.026 | 0.007 | 71.526 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 61 | TYR | 0 | 0.075 | 0.025 | 68.792 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 62 | ASN | 0 | 0.058 | 0.029 | 71.878 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 63 | GLN | 0 | -0.037 | -0.019 | 73.544 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 64 | GLY | 0 | 0.002 | 0.008 | 69.541 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 65 | ILE | 0 | 0.025 | 0.016 | 68.611 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 66 | PRO | 0 | 0.017 | 0.011 | 68.906 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 67 | TYR | 0 | 0.006 | 0.002 | 65.279 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 68 | PHE | 0 | 0.005 | -0.006 | 62.451 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 69 | ASP | -1 | -0.821 | -0.916 | 64.436 | -4.717 | -4.717 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 70 | ARG | 1 | 0.870 | 0.918 | 65.191 | 4.606 | 4.606 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 71 | LEU | 0 | -0.029 | 0.015 | 59.724 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 72 | ASP | -1 | -0.758 | -0.912 | 58.665 | -5.551 | -5.551 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 73 | TYR | 0 | -0.014 | -0.013 | 58.535 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 74 | VAL | 0 | -0.033 | -0.012 | 59.800 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 75 | SER | 0 | -0.047 | -0.016 | 61.720 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 76 | MET | 0 | -0.030 | 0.013 | 63.831 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 77 | MET | 0 | 0.018 | 0.022 | 66.228 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 78 | CYS | 0 | 0.031 | 0.001 | 62.835 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 79 | MET | 0 | -0.036 | 0.001 | 58.875 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 80 | GLU | -1 | -0.793 | -0.914 | 63.847 | -4.555 | -4.555 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 81 | HIS | 0 | -0.066 | -0.039 | 65.761 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 82 | SER | 0 | 0.029 | 0.015 | 61.933 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 83 | TYR | 0 | -0.011 | -0.012 | 64.591 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 84 | VAL | 0 | -0.007 | -0.014 | 66.263 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 85 | LEU | 0 | 0.031 | 0.022 | 66.410 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 86 | ALA | 0 | -0.023 | -0.004 | 64.859 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 87 | ILE | 0 | -0.029 | -0.021 | 66.815 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 88 | GLU | -1 | -0.726 | -0.838 | 70.199 | -4.399 | -4.399 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 89 | GLN | 0 | 0.031 | 0.030 | 65.713 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 90 | LEU | 0 | -0.039 | -0.020 | 66.748 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 91 | LEU | 0 | -0.062 | -0.037 | 70.614 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 92 | ASN | 0 | -0.067 | -0.019 | 73.146 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 93 | VAL | 0 | 0.003 | 0.003 | 74.410 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 94 | ALA | 0 | 0.021 | 0.019 | 75.093 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 95 | VAL | 0 | 0.016 | 0.015 | 74.038 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 96 | PRO | 0 | -0.035 | 0.000 | 77.091 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 97 | LEU | 0 | 0.064 | 0.017 | 77.740 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 98 | ARG | 1 | 0.868 | 0.916 | 78.016 | 3.836 | 3.836 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 99 | GLY | 0 | 0.044 | 0.015 | 78.106 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 100 | GLN | 0 | -0.048 | -0.034 | 73.746 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 101 | TYR | 0 | 0.008 | -0.028 | 73.751 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 102 | ILE | 0 | -0.036 | -0.008 | 74.923 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 103 | ARG | 1 | 0.752 | 0.847 | 71.165 | 4.425 | 4.425 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 104 | VAL | 0 | 0.014 | 0.006 | 69.359 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 105 | LEU | 0 | -0.010 | 0.005 | 70.248 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 106 | PHE | 0 | 0.017 | -0.007 | 71.597 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 107 | SER | 0 | -0.001 | -0.018 | 66.500 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 108 | GLU | -1 | -0.709 | -0.823 | 65.480 | -5.086 | -5.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 109 | ILE | 0 | 0.031 | 0.014 | 67.058 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 110 | THR | 0 | -0.057 | -0.034 | 64.647 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 111 | ARG | 1 | 0.790 | 0.877 | 60.336 | 5.138 | 5.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 112 | ILE | 0 | 0.004 | 0.014 | 62.845 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 113 | MET | 0 | -0.026 | -0.008 | 64.300 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 114 | ASN | 0 | -0.015 | -0.012 | 59.236 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 115 | HIS | 0 | 0.023 | -0.017 | 57.505 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 116 | ILE | 0 | 0.030 | 0.014 | 59.952 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 117 | LEU | 0 | -0.042 | -0.006 | 60.034 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 118 | ALA | 0 | 0.009 | 0.021 | 56.216 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 119 | ILE | 0 | -0.022 | -0.013 | 56.316 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 120 | THR | 0 | -0.019 | -0.024 | 57.119 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 121 | CYS | 0 | -0.049 | 0.004 | 55.443 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 122 | HIS | 0 | 0.051 | 0.037 | 50.322 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 123 | SER | 0 | -0.027 | -0.029 | 53.560 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 124 | MET | 0 | -0.021 | -0.009 | 55.777 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 125 | ASP | -1 | -0.850 | -0.942 | 51.893 | -6.035 | -6.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 126 | VAL | 0 | -0.074 | -0.033 | 50.260 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 127 | GLY | 0 | 0.009 | 0.001 | 52.283 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 128 | ALA | 0 | -0.054 | -0.025 | 55.217 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 129 | LEU | 0 | 0.051 | 0.011 | 58.236 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 130 | THR | 0 | 0.000 | -0.001 | 61.253 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 131 | PRO | 0 | 0.014 | 0.014 | 60.291 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 132 | PHE | 0 | 0.054 | 0.012 | 61.041 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 133 | LEU | 0 | -0.024 | -0.024 | 63.068 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 134 | TRP | 0 | -0.032 | -0.017 | 66.259 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 135 | ALA | 0 | 0.060 | 0.041 | 64.674 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 136 | PHE | 0 | -0.061 | -0.029 | 64.408 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 137 | GLU | -1 | -0.836 | -0.905 | 68.745 | -4.410 | -4.410 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 138 | GLU | -1 | -0.699 | -0.840 | 69.038 | -4.462 | -4.462 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 139 | ARG | 1 | 0.924 | 0.966 | 64.415 | 4.969 | 4.969 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 140 | GLU | -1 | -0.866 | -0.946 | 69.683 | -4.456 | -4.456 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 141 | LYS | 1 | 0.788 | 0.884 | 73.025 | 4.443 | 4.443 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 142 | LEU | 0 | -0.002 | 0.001 | 69.034 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 143 | PHE | 0 | -0.016 | -0.029 | 68.134 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 144 | GLU | -1 | -0.840 | -0.916 | 73.434 | -4.077 | -4.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 145 | PHE | 0 | 0.015 | 0.002 | 74.426 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 146 | TYR | 0 | 0.007 | -0.004 | 69.568 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 147 | GLU | -1 | -0.989 | -0.978 | 75.214 | -4.017 | -4.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 148 | ARG | 1 | 0.819 | 0.888 | 77.853 | 4.025 | 4.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 149 | VAL | 0 | -0.052 | -0.021 | 76.542 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 150 | SER | 0 | -0.075 | -0.046 | 76.479 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 151 | GLY | 0 | -0.001 | 0.014 | 78.662 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 152 | ALA | 0 | -0.054 | -0.039 | 74.474 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 153 | ARG | 1 | 0.892 | 0.950 | 72.611 | 4.383 | 4.383 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 154 | MET | 0 | -0.012 | 0.002 | 66.696 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 155 | HIS | 0 | -0.021 | -0.028 | 66.141 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 156 | ALA | 0 | 0.035 | 0.026 | 70.840 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 157 | ALA | 0 | -0.014 | 0.009 | 71.770 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 158 | TYR | 0 | 0.024 | 0.001 | 72.942 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 159 | PHE | 0 | 0.012 | 0.002 | 68.971 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 160 | ARG | 1 | 0.805 | 0.883 | 73.495 | 4.236 | 4.236 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 161 | VAL | 0 | 0.041 | 0.017 | 73.128 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 162 | GLY | 0 | -0.007 | -0.016 | 75.239 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 163 | GLY | 0 | -0.002 | -0.016 | 76.140 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 164 | VAL | 0 | 0.008 | 0.024 | 75.414 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 165 | ALA | 0 | -0.046 | -0.021 | 77.572 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 166 | GLN | 0 | -0.037 | -0.024 | 79.558 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 167 | ASP | -1 | -0.809 | -0.879 | 80.908 | -3.924 | -3.924 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 168 | LEU | 0 | 0.023 | 0.006 | 78.623 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 169 | PRO | 0 | -0.008 | 0.004 | 81.961 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 170 | ILE | 0 | 0.015 | -0.007 | 84.665 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 171 | GLY | 0 | 0.002 | 0.005 | 86.265 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 172 | LEU | 0 | 0.037 | 0.029 | 78.866 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 173 | LEU | 0 | 0.012 | -0.007 | 80.080 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 174 | ARG | 1 | 0.874 | 0.952 | 81.239 | 3.773 | 3.773 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 175 | ASP | -1 | -0.741 | -0.854 | 80.700 | -3.949 | -3.949 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 176 | ILE | 0 | 0.023 | 0.017 | 75.222 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 177 | TYR | 0 | 0.021 | 0.011 | 76.659 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 178 | ASP | -1 | -0.833 | -0.903 | 78.204 | -3.977 | -3.977 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 179 | TRP | 0 | -0.023 | -0.006 | 69.943 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 180 | SER | 0 | -0.040 | -0.042 | 73.675 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 181 | ARG | 1 | 0.798 | 0.880 | 73.873 | 3.975 | 3.975 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 182 | GLN | 0 | -0.067 | -0.050 | 73.255 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 183 | PHE | 0 | 0.027 | 0.014 | 66.070 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 184 | ALA | 0 | 0.012 | 0.001 | 69.058 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 185 | SER | 0 | 0.029 | 0.015 | 68.781 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 186 | ARG | 1 | 0.799 | 0.876 | 69.247 | 4.452 | 4.452 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 187 | VAL | 0 | -0.034 | -0.016 | 63.811 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 188 | ASP | -1 | -0.799 | -0.886 | 64.654 | -4.934 | -4.934 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 189 | GLU | -1 | -0.853 | -0.886 | 65.206 | -4.642 | -4.642 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 190 | MET | 0 | -0.043 | -0.019 | 61.536 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 191 | GLU | -1 | -0.887 | -0.939 | 60.212 | -5.376 | -5.376 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 192 | GLU | -1 | -0.922 | -0.976 | 60.443 | -5.223 | -5.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 193 | LEU | 0 | -0.067 | -0.014 | 60.416 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 194 | LEU | 0 | -0.042 | -0.021 | 56.696 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 195 | THR | 0 | 0.022 | 0.011 | 56.253 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 196 | GLY | 0 | -0.016 | 0.007 | 55.698 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 197 | ASN | 0 | 0.003 | 0.003 | 55.889 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 198 | ARG | 1 | 0.954 | 0.974 | 51.133 | 6.023 | 6.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 199 | ILE | 0 | 0.046 | 0.020 | 51.151 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 200 | TRP | 0 | 0.031 | 0.023 | 50.691 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 201 | LYS | 1 | 0.885 | 0.957 | 49.871 | 6.209 | 6.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 202 | GLU | -1 | -0.930 | -0.980 | 46.721 | -6.808 | -6.808 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 203 | ARG | 1 | 0.840 | 0.947 | 45.674 | 6.583 | 6.583 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 204 | THR | 0 | -0.021 | -0.040 | 46.526 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 205 | ILE | 0 | -0.007 | -0.012 | 44.092 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 206 | ASP | -1 | -0.944 | -0.974 | 40.467 | -7.812 | -7.812 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 207 | VAL | 0 | 0.018 | 0.018 | 40.715 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 208 | GLY | 0 | 0.041 | 0.012 | 41.104 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 209 | LEU | 0 | -0.030 | -0.004 | 38.600 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 210 | VAL | 0 | -0.003 | 0.006 | 40.150 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 211 | THR | 0 | 0.033 | 0.007 | 38.099 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 212 | ALA | 0 | 0.065 | 0.020 | 41.241 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 213 | GLN | 0 | -0.048 | -0.027 | 37.840 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 214 | GLN | 0 | 0.054 | 0.031 | 36.169 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 215 | ALA | 0 | 0.041 | 0.018 | 40.547 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 216 | TRP | 0 | -0.003 | -0.011 | 44.157 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 217 | ASP | -1 | -0.969 | -0.974 | 38.547 | -8.144 | -8.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 218 | TRP | 0 | -0.015 | -0.012 | 36.826 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 219 | GLY | 0 | -0.005 | 0.008 | 43.023 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 220 | CYS | 0 | -0.099 | -0.064 | 44.748 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 221 | SER | 0 | -0.002 | -0.006 | 47.790 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 222 | GLY | 0 | 0.076 | 0.023 | 51.214 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 223 | PRO | 0 | 0.016 | -0.001 | 52.464 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 224 | ILE | 0 | -0.009 | 0.009 | 46.382 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 225 | LEU | 0 | -0.020 | 0.011 | 47.728 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 226 | ARG | 1 | 0.780 | 0.873 | 49.270 | 5.685 | 5.685 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 227 | GLY | 0 | 0.002 | 0.002 | 49.551 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 228 | SER | 0 | -0.025 | -0.032 | 44.962 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 229 | GLY | 0 | -0.004 | 0.014 | 46.076 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 230 | ILE | 0 | -0.098 | -0.043 | 46.871 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 231 | ASP | -1 | -0.888 | -0.958 | 50.050 | -5.648 | -5.648 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 232 | TRP | 0 | 0.003 | -0.002 | 52.913 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 233 | ASP | -1 | -0.729 | -0.858 | 54.709 | -5.434 | -5.434 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 234 | LEU | 0 | -0.011 | -0.003 | 56.724 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 235 | ARG | 1 | 0.734 | 0.845 | 59.614 | 5.312 | 5.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 236 | LYS | 1 | 0.895 | 0.947 | 60.784 | 5.200 | 5.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 237 | ASN | 0 | 0.010 | -0.002 | 56.978 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 238 | GLN | 0 | -0.057 | -0.026 | 57.780 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 239 | PRO | 0 | 0.004 | 0.018 | 61.749 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 240 | TYR | 0 | -0.010 | -0.027 | 63.041 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 241 | ASP | -1 | -0.825 | -0.903 | 66.802 | -4.581 | -4.581 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 242 | VAL | 0 | 0.004 | -0.020 | 69.898 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 243 | TYR | 0 | -0.009 | -0.025 | 66.136 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 244 | GLY | 0 | -0.001 | 0.006 | 67.701 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 245 | ARG | 1 | 0.740 | 0.832 | 68.728 | 4.290 | 4.290 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 246 | MET | 0 | -0.049 | 0.002 | 68.706 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 247 | ASP | -1 | -0.874 | -0.929 | 68.281 | -4.623 | -4.623 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 248 | PHE | 0 | -0.075 | -0.044 | 61.792 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 249 | ASN | 0 | -0.040 | -0.024 | 61.683 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 250 | VAL | 0 | 0.030 | 0.018 | 56.438 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 251 | PRO | 0 | -0.029 | -0.007 | 57.167 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 252 | ILE | 0 | -0.017 | -0.007 | 51.976 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 253 | ALA | 0 | -0.034 | -0.010 | 50.976 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 254 | GLY | 0 | 0.002 | -0.016 | 47.629 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 255 | HIS | 1 | 0.836 | 0.914 | 43.832 | 6.922 | 6.922 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 256 | GLY | 0 | 0.092 | 0.054 | 43.385 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 257 | ASP | -1 | -0.842 | -0.911 | 43.877 | -7.078 | -7.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 258 | CYS | 0 | -0.068 | -0.042 | 45.022 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 259 | TYR | 0 | 0.007 | 0.011 | 47.504 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 260 | ASP | -1 | -0.767 | -0.896 | 48.250 | -6.460 | -6.460 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 261 | ARG | 1 | 0.817 | 0.887 | 44.866 | 7.135 | 7.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 262 | TYR | 0 | -0.029 | -0.020 | 50.968 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 263 | LEU | 0 | 0.018 | 0.004 | 52.831 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 264 | VAL | 0 | -0.004 | 0.001 | 52.706 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 265 | ARG | 1 | 0.789 | 0.873 | 51.670 | 6.184 | 6.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 266 | VAL | 0 | 0.014 | 0.010 | 57.321 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 267 | GLN | 0 | 0.018 | 0.006 | 58.811 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 268 | GLU | -1 | -0.757 | -0.868 | 56.943 | -5.520 | -5.520 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 269 | MET | 0 | -0.033 | 0.020 | 60.854 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 270 | ARG | 1 | 0.793 | 0.875 | 62.946 | 5.163 | 5.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 271 | GLU | -1 | -0.792 | -0.895 | 61.990 | -4.966 | -4.966 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 272 | SER | 0 | -0.028 | -0.039 | 63.999 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 273 | LEU | 0 | -0.018 | 0.002 | 66.423 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 274 | ARG | 1 | 0.833 | 0.925 | 65.400 | 4.941 | 4.941 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 275 | ILE | 0 | 0.027 | 0.018 | 65.746 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 276 | ILE | 0 | -0.005 | -0.001 | 69.599 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 277 | TYR | 0 | -0.003 | 0.003 | 72.388 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 278 | GLN | 0 | 0.011 | 0.010 | 72.258 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 279 | CYS | 0 | -0.031 | -0.033 | 72.715 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 280 | LEU | 0 | -0.049 | -0.030 | 75.629 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 281 | ASN | 0 | -0.097 | -0.052 | 78.137 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 282 | GLU | -1 | -0.754 | -0.826 | 76.520 | -4.209 | -4.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 283 | MET | 0 | -0.061 | -0.004 | 77.760 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 284 | PRO | 0 | -0.001 | 0.009 | 79.796 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 285 | ASP | -1 | -0.915 | -0.940 | 82.961 | -3.717 | -3.717 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 286 | GLY | 0 | 0.023 | 0.007 | 85.582 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 287 | LEU | 0 | -0.058 | -0.039 | 84.022 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 288 | TYR | 0 | 0.057 | 0.027 | 81.179 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 289 | LYS | 1 | 0.898 | 0.952 | 79.877 | 3.785 | 3.785 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 290 | THR | 0 | -0.007 | -0.013 | 79.564 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 291 | PRO | 0 | -0.020 | -0.005 | 81.592 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 292 | ASP | -1 | -0.816 | -0.906 | 82.132 | -3.864 | -3.864 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 293 | GLN | 0 | 0.007 | -0.003 | 83.222 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 294 | LYS | 1 | 0.860 | 0.912 | 83.052 | 3.765 | 3.765 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 295 | VAL | 0 | 0.010 | 0.011 | 78.233 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 296 | SER | 0 | -0.021 | 0.000 | 79.276 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 297 | PRO | 0 | -0.009 | -0.008 | 81.191 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 298 | PRO | 0 | 0.038 | 0.025 | 84.184 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 299 | SER | 0 | 0.012 | -0.002 | 87.776 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 300 | ARG | 1 | 0.996 | 0.965 | 88.268 | 3.673 | 3.673 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 301 | GLY | 0 | 0.016 | 0.015 | 91.360 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 302 | GLN | 0 | 0.030 | 0.018 | 90.523 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 303 | MET | 0 | -0.011 | -0.009 | 90.551 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 304 | LYS | 1 | 0.881 | 0.941 | 93.318 | 3.435 | 3.435 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 305 | GLN | 0 | 0.023 | 0.029 | 96.649 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 306 | SER | 0 | -0.008 | 0.007 | 95.553 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 307 | MET | 0 | 0.064 | 0.027 | 95.505 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 308 | GLU | -1 | -0.819 | -0.917 | 92.849 | -3.421 | -3.421 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 309 | SER | 0 | 0.019 | 0.020 | 91.123 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 310 | LEU | 0 | -0.010 | -0.004 | 90.663 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 311 | ILE | 0 | -0.013 | -0.001 | 89.861 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 312 | HIS | 0 | -0.011 | -0.015 | 86.455 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 313 | HIS | 0 | 0.022 | 0.006 | 86.157 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 314 | PHE | 0 | 0.029 | 0.014 | 86.072 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 315 | LYS | 1 | 0.888 | 0.953 | 84.637 | 3.779 | 3.779 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 316 | LEU | 0 | -0.012 | 0.004 | 80.839 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 317 | PHE | 0 | -0.061 | -0.040 | 81.207 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 318 | SER | 0 | -0.084 | -0.041 | 82.465 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 319 | GLU | -1 | -0.857 | -0.895 | 80.059 | -4.005 | -4.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 320 | GLY | 0 | 0.027 | 0.013 | 78.480 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 321 | TYR | 0 | 0.000 | -0.012 | 73.929 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 322 | HIS | 1 | 0.774 | 0.850 | 76.308 | 4.101 | 4.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 323 | VAL | 0 | 0.038 | 0.028 | 70.616 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 324 | PRO | 0 | 0.012 | 0.009 | 72.691 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 325 | ALA | 0 | -0.041 | -0.021 | 70.169 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 326 | GLY | 0 | 0.030 | 0.014 | 67.067 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 327 | GLU | -1 | -0.907 | -0.928 | 60.687 | -5.324 | -5.324 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 328 | THR | 0 | -0.010 | -0.011 | 63.011 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 329 | TYR | 0 | -0.045 | -0.049 | 55.740 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 330 | ARG | 1 | 0.895 | 0.971 | 60.654 | 4.969 | 4.969 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 331 | ALA | 0 | 0.048 | 0.014 | 58.307 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 332 | VAL | 0 | -0.031 | -0.010 | 60.221 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 333 | GLU | -1 | -0.760 | -0.857 | 57.088 | -5.779 | -5.779 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 334 | ALA | 0 | 0.029 | 0.019 | 58.596 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 335 | PRO | 0 | -0.009 | -0.013 | 58.607 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 336 | LYS | 1 | 0.835 | 0.930 | 54.824 | 5.654 | 5.654 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 337 | GLY | 0 | 0.038 | 0.024 | 53.899 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 338 | GLU | -1 | -0.871 | -0.918 | 53.983 | -5.802 | -5.802 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 339 | PHE | 0 | 0.005 | 0.017 | 55.058 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 340 | GLY | 0 | 0.025 | 0.003 | 57.643 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 341 | VAL | 0 | -0.046 | -0.016 | 58.761 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 342 | TYR | 0 | -0.081 | -0.050 | 58.184 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 343 | LEU | 0 | -0.015 | -0.013 | 60.169 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 344 | VAL | 0 | 0.035 | 0.017 | 61.523 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 345 | SER | 0 | 0.013 | -0.001 | 64.632 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 346 | ARG | 1 | 0.901 | 0.935 | 66.345 | 4.748 | 4.748 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 347 | GLY | 0 | 0.049 | 0.040 | 69.949 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 348 | GLY | 0 | -0.020 | 0.001 | 72.444 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 349 | ASN | 0 | -0.006 | -0.018 | 73.985 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 350 | ARG | 1 | 0.891 | 0.937 | 70.413 | 4.533 | 4.533 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 351 | PRO | 0 | -0.008 | 0.016 | 66.304 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 352 | TYR | 0 | -0.018 | -0.025 | 63.821 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 353 | ARG | 1 | 0.872 | 0.924 | 56.395 | 5.468 | 5.468 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 354 | CYS | 0 | 0.009 | 0.012 | 62.615 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 355 | LYS | 1 | 0.917 | 0.976 | 52.573 | 5.951 | 5.951 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 356 | ILE | 0 | 0.025 | 0.014 | 56.931 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 357 | ARG | 1 | 0.808 | 0.905 | 50.132 | 6.090 | 6.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 358 | SER | 0 | 0.020 | -0.012 | 53.037 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 359 | PRO | 0 | -0.023 | -0.012 | 52.028 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 360 | GLY | 0 | 0.061 | 0.032 | 50.600 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 361 | TYR | 0 | -0.019 | -0.029 | 47.526 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 362 | ALA | 0 | 0.030 | 0.025 | 46.664 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 363 | HIS | 0 | 0.028 | 0.001 | 45.558 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 364 | LEU | 0 | 0.001 | 0.002 | 45.492 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 365 | GLN | 0 | -0.037 | -0.012 | 41.423 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 366 | MET | 0 | 0.018 | 0.035 | 41.267 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 367 | LEU | 0 | -0.016 | -0.004 | 40.882 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 368 | ASP | -1 | -0.852 | -0.932 | 35.604 | -9.086 | -9.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 369 | MET | 0 | -0.037 | -0.012 | 35.742 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 370 | VAL | 0 | 0.030 | 0.011 | 36.592 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 371 | ALA | 0 | -0.044 | -0.011 | 38.701 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 372 | LYS | 1 | 0.879 | 0.947 | 29.556 | 10.090 | 10.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 373 | GLY | 0 | -0.037 | -0.023 | 33.001 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 374 | ALA | 0 | 0.019 | 0.025 | 33.699 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 375 | MET | 0 | 0.043 | 0.017 | 36.853 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 376 | LEU | 0 | 0.010 | -0.018 | 39.117 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 377 | ALA | 0 | -0.020 | -0.005 | 41.919 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 378 | ASP | -1 | -0.808 | -0.903 | 40.590 | -7.624 | -7.624 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 379 | VAL | 0 | -0.020 | -0.004 | 41.531 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 380 | VAL | 0 | 0.015 | 0.003 | 43.954 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 381 | THR | 0 | 0.016 | 0.016 | 46.189 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 382 | ILE | 0 | -0.003 | -0.011 | 41.244 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 383 | ILE | 0 | -0.001 | -0.012 | 45.585 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 384 | GLY | 0 | 0.031 | 0.018 | 47.864 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 385 | THR | 0 | -0.069 | -0.018 | 47.627 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 386 | LEU | 0 | -0.006 | 0.003 | 44.917 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 387 | ASP | -1 | -0.819 | -0.896 | 49.501 | -5.850 | -5.850 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 388 | VAL | 0 | -0.033 | -0.010 | 48.931 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 389 | VAL | 0 | 0.038 | 0.026 | 52.301 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 390 | PHE | 0 | 0.045 | 0.001 | 49.705 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 391 | GLY | 0 | -0.006 | 0.001 | 54.795 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 392 | GLU | -1 | -0.815 | -0.900 | 54.841 | -5.812 | -5.812 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 393 | ILE | 0 | -0.005 | 0.003 | 50.196 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 394 | ASP | -1 | -0.807 | -0.902 | 52.514 | -6.191 | -6.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 395 | ARG | 0 | 0.018 | 0.029 | 52.365 | 0.578 | 0.578 | 0.000 | 0.000 | 0.000 | 0.000 |