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: KQZ33
Calculation Name: 6D26-A-Xray547
Preferred Name: Lysozyme
Target Type: SINGLE PROTEIN
Ligand Name: fevipiprant | oleic acid | s-(2-amino-2-oxoethyl)-l-cysteine | sulfate ion | succinic acid | triethylene glycol | s-1,2-propanediol
Ligand 3-letter code: FSY | OLA | YCM | SO4 | SIN | PGE | PGO
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 6D26
Chain ID: A
ChEMBL ID: CHEMBL5206
UniProt ID: P00720
Base Structure: X-ray
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 | 445 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -7590777.198589 |
|---|---|
| FMO2-HF: Nuclear repulsion | 7416468.737255 |
| FMO2-HF: Total energy | -174308.461334 |
| FMO2-MP2: Total energy | -174816.912173 |
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:5:ALA)
Summations of interaction energy for
fragment #1(A:5: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. |
| 157.87 | 159.156 | -0.016 | -0.575 | -0.695 | -0.001 |
Interaction energy analysis for fragmet #1(A:5: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 | 7 | LEU | 0 | 0.036 | 0.029 | 3.861 | 2.676 | 3.962 | -0.016 | -0.575 | -0.695 | -0.001 |
| 4 | A | 8 | LYS | 1 | 0.835 | 0.896 | 6.549 | 28.119 | 28.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 5 | A | 9 | PRO | 0 | 0.011 | 0.013 | 10.042 | 0.627 | 0.627 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 10 | LEU | 0 | 0.022 | -0.002 | 12.495 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 11 | CYS | 0 | -0.012 | -0.003 | 15.553 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 12 | PRO | 0 | 0.091 | 0.041 | 18.574 | -0.402 | -0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 13 | ILE | 0 | -0.022 | -0.010 | 20.345 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 14 | LEU | 0 | 0.007 | -0.006 | 16.510 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 15 | GLU | -1 | -0.902 | -0.942 | 15.092 | -17.543 | -17.543 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 16 | GLN | 0 | -0.014 | 0.001 | 16.660 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 17 | MET | 0 | -0.036 | -0.017 | 18.861 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 18 | SER | 0 | -0.034 | -0.031 | 13.759 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 19 | ARG | 1 | 1.008 | 1.006 | 15.159 | 14.054 | 14.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 20 | LEU | 0 | -0.075 | -0.019 | 17.519 | 0.712 | 0.712 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 21 | GLN | 0 | -0.014 | -0.019 | 19.424 | 0.451 | 0.451 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 22 | SER | 0 | -0.019 | -0.007 | 21.689 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 23 | HIS | 0 | 0.057 | 0.029 | 23.748 | 0.443 | 0.443 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 24 | SER | 0 | -0.009 | -0.009 | 21.523 | -0.801 | -0.801 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 25 | ALA | 0 | -0.003 | -0.005 | 17.737 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 26 | THR | 0 | 0.036 | 0.021 | 18.662 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 27 | SER | 0 | 0.022 | 0.010 | 16.344 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 28 | ILE | 0 | -0.011 | -0.008 | 18.162 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 29 | ARG | 1 | 0.770 | 0.885 | 15.856 | 17.220 | 17.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 30 | TYR | 0 | 0.024 | 0.019 | 22.322 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 31 | ILE | 0 | 0.015 | -0.007 | 25.252 | -0.306 | -0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 32 | ASP | -1 | -0.865 | -0.928 | 27.656 | -9.157 | -9.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 33 | HIS | 0 | 0.052 | 0.007 | 30.716 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 34 | ALA | 0 | 0.017 | 0.021 | 32.717 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 35 | ALA | 0 | 0.008 | 0.010 | 31.335 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 36 | VAL | 0 | -0.007 | 0.008 | 29.039 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 37 | LEU | 0 | 0.017 | 0.014 | 31.721 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 38 | LEU | 0 | -0.005 | 0.007 | 35.362 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 39 | HIS | 0 | 0.007 | -0.032 | 31.894 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 40 | GLY | 0 | 0.028 | 0.030 | 33.823 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 41 | LEU | 0 | -0.011 | -0.009 | 34.494 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 42 | ALA | 0 | 0.000 | 0.002 | 35.964 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 43 | SER | 0 | -0.015 | -0.028 | 33.329 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 44 | LEU | 0 | 0.002 | 0.006 | 35.663 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 45 | LEU | 0 | -0.004 | 0.003 | 38.461 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 46 | GLY | 0 | 0.059 | 0.038 | 38.770 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 47 | LEU | 0 | -0.016 | -0.013 | 34.864 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 48 | VAL | 0 | 0.007 | 0.011 | 39.149 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 49 | GLU | -1 | -0.904 | -0.962 | 42.688 | -6.997 | -6.997 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 50 | ASN | 0 | -0.025 | -0.046 | 40.555 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 51 | GLY | 0 | 0.036 | 0.032 | 42.735 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 52 | VAL | 0 | -0.027 | -0.018 | 43.801 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 53 | ILE | 0 | -0.018 | -0.005 | 46.024 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 54 | LEU | 0 | 0.034 | 0.007 | 42.658 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 55 | PHE | 0 | 0.033 | 0.023 | 46.692 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 56 | VAL | 0 | -0.028 | -0.026 | 49.308 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 57 | VAL | 0 | -0.034 | -0.035 | 49.522 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 58 | GLY | 0 | 0.034 | 0.029 | 49.560 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 59 | CYS | 0 | -0.032 | -0.014 | 49.974 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 60 | ARG | 1 | 0.889 | 0.965 | 52.828 | 5.909 | 5.909 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 61 | MET | 0 | -0.044 | -0.012 | 54.584 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 62 | ARG | 1 | 0.930 | 0.968 | 56.055 | 5.119 | 5.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 63 | GLN | 0 | 0.038 | 0.013 | 52.390 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 64 | THR | 0 | -0.063 | -0.048 | 55.052 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 65 | VAL | 0 | 0.014 | 0.022 | 53.275 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 66 | VAL | 0 | 0.009 | 0.008 | 52.389 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 67 | THR | 0 | 0.024 | 0.010 | 51.839 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 68 | THR | 0 | -0.010 | -0.008 | 48.882 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 69 | TRP | 0 | 0.014 | -0.015 | 47.776 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 70 | VAL | 0 | 0.010 | 0.005 | 46.711 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 71 | LEU | 0 | -0.017 | 0.002 | 46.279 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 72 | HIS | 0 | 0.005 | -0.006 | 43.452 | -0.280 | -0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 73 | LEU | 0 | 0.021 | 0.012 | 42.078 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 74 | ALA | 0 | 0.018 | 0.007 | 42.014 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 75 | LEU | 0 | -0.011 | 0.008 | 39.139 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 76 | SER | 0 | -0.002 | -0.004 | 37.466 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 77 | ASP | -1 | -0.733 | -0.835 | 36.696 | -8.180 | -8.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 78 | LEU | 0 | -0.014 | 0.007 | 37.511 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 79 | LEU | 0 | -0.018 | -0.011 | 33.699 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 80 | ALA | 0 | -0.006 | -0.006 | 32.764 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 81 | SER | 0 | -0.031 | -0.034 | 32.929 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 82 | ALA | 0 | -0.005 | 0.004 | 32.801 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 83 | SER | 0 | -0.036 | -0.015 | 28.150 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 84 | LEU | 0 | 0.014 | 0.009 | 28.483 | -0.396 | -0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 85 | PRO | 0 | 0.072 | 0.030 | 29.676 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 86 | PHE | 0 | 0.003 | 0.017 | 24.448 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 87 | PHE | 0 | -0.056 | -0.020 | 24.866 | -0.539 | -0.539 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 88 | THR | 0 | -0.019 | -0.027 | 26.691 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 89 | TYR | 0 | 0.048 | 0.021 | 21.039 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 90 | PHE | 0 | -0.019 | 0.000 | 19.697 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 91 | LEU | 0 | -0.009 | -0.008 | 23.227 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 92 | ALA | 0 | 0.009 | -0.004 | 25.981 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 93 | VAL | 0 | -0.034 | -0.005 | 20.048 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 94 | GLY | 0 | 0.028 | 0.016 | 22.042 | -0.433 | -0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 95 | HIS | 0 | -0.058 | -0.044 | 21.905 | -0.642 | -0.642 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 96 | SER | 0 | -0.028 | -0.038 | 16.886 | -0.932 | -0.932 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 97 | TRP | 0 | -0.041 | -0.034 | 16.497 | 1.019 | 1.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 98 | GLU | -1 | -0.746 | -0.843 | 15.444 | -19.566 | -19.566 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 99 | LEU | 0 | -0.002 | 0.006 | 16.940 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 100 | GLY | 0 | 0.050 | 0.029 | 14.295 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 101 | THR | 0 | 0.008 | -0.027 | 12.834 | 0.724 | 0.724 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 102 | THR | 0 | 0.009 | 0.002 | 15.407 | 0.644 | 0.644 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 103 | PHE | 0 | 0.073 | 0.034 | 18.507 | 0.892 | 0.892 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 104 | CYS | 0 | -0.020 | 0.028 | 15.846 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 105 | LYS | 1 | 0.844 | 0.917 | 17.162 | 17.295 | 17.295 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 106 | LEU | 0 | -0.007 | 0.013 | 21.118 | 0.726 | 0.726 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 107 | HIS | 0 | 0.038 | 0.017 | 23.108 | 0.656 | 0.656 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 108 | SER | 0 | -0.013 | -0.019 | 22.193 | 0.448 | 0.448 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 109 | SER | 0 | -0.019 | -0.036 | 24.660 | 0.440 | 0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 110 | ILE | 0 | -0.005 | 0.008 | 26.932 | 0.441 | 0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 111 | PHE | 0 | -0.009 | 0.012 | 28.580 | 0.394 | 0.394 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 112 | PHE | 0 | 0.017 | -0.016 | 25.678 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 113 | LEU | 0 | 0.015 | 0.013 | 30.897 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 114 | ASN | 0 | 0.048 | 0.018 | 32.815 | 0.475 | 0.475 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 115 | MET | 0 | -0.037 | 0.010 | 32.423 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 116 | PHE | 0 | -0.022 | -0.021 | 31.494 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 117 | ALA | 0 | 0.027 | 0.016 | 36.536 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 118 | SER | 0 | 0.018 | -0.004 | 38.629 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 119 | GLY | 0 | 0.034 | 0.025 | 39.586 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 120 | PHE | 0 | -0.037 | -0.011 | 37.678 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 121 | LEU | 0 | 0.013 | 0.003 | 42.008 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 122 | LEU | 0 | 0.006 | 0.011 | 43.709 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 123 | SER | 0 | -0.002 | -0.004 | 44.489 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 124 | ALA | 0 | -0.010 | -0.007 | 46.655 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 125 | ILE | 0 | -0.010 | -0.008 | 47.596 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 126 | SER | 0 | -0.011 | -0.011 | 49.781 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 127 | LEU | 0 | 0.039 | 0.017 | 49.406 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 128 | ASP | -1 | -0.789 | -0.894 | 52.553 | -5.711 | -5.711 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 129 | ARG | 1 | 0.894 | 0.936 | 54.400 | 5.515 | 5.515 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 130 | CYS | 0 | 0.043 | 0.021 | 55.710 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 131 | LEU | 0 | 0.026 | 0.018 | 55.028 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 132 | GLN | 0 | -0.077 | -0.030 | 58.572 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 133 | VAL | 0 | -0.025 | -0.003 | 60.642 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 134 | VAL | 0 | 0.064 | 0.033 | 60.219 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 135 | ARG | 1 | 0.854 | 0.938 | 60.251 | 5.208 | 5.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 136 | PRO | 0 | 0.043 | 0.012 | 62.937 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 137 | VAL | 0 | 0.012 | 0.027 | 65.030 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 138 | TRP | 0 | 0.065 | 0.052 | 56.084 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 139 | ALA | 0 | 0.005 | -0.007 | 60.648 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 140 | GLN | 0 | -0.054 | -0.036 | 61.663 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 141 | ASN | 0 | -0.022 | -0.017 | 63.552 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 142 | HIS | 0 | 0.048 | 0.029 | 58.807 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 143 | ARG | 1 | 0.805 | 0.933 | 56.254 | 5.558 | 5.558 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 144 | THR | 0 | -0.029 | -0.022 | 56.017 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 145 | VAL | 0 | 0.013 | -0.012 | 53.332 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 146 | ALA | 0 | 0.031 | 0.018 | 52.558 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 147 | ALA | 0 | 0.025 | 0.017 | 51.478 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 148 | ALA | 0 | 0.049 | 0.026 | 50.758 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 149 | HIS | 0 | 0.066 | 0.037 | 46.208 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 150 | LYS | 1 | 0.938 | 0.966 | 46.004 | 6.698 | 6.698 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 151 | VAL | 0 | 0.026 | 0.016 | 46.311 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 152 | CYS | 0 | -0.024 | -0.008 | 44.568 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 153 | LEU | 0 | -0.018 | -0.009 | 42.230 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 154 | VAL | 0 | 0.011 | 0.014 | 41.276 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 155 | LEU | 0 | -0.012 | -0.010 | 41.031 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 156 | TRP | 0 | 0.009 | -0.012 | 36.122 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 157 | ALA | 0 | -0.006 | 0.003 | 36.858 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 158 | LEU | 0 | 0.023 | 0.000 | 36.280 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 159 | ALA | 0 | -0.018 | 0.000 | 35.862 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 160 | VAL | 0 | 0.007 | -0.005 | 32.156 | -0.280 | -0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 161 | LEU | 0 | 0.009 | 0.025 | 31.364 | -0.395 | -0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 162 | ASN | 0 | -0.003 | -0.006 | 31.659 | -0.362 | -0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 163 | THR | 0 | -0.054 | -0.035 | 28.738 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 164 | VAL | 0 | 0.024 | 0.026 | 26.887 | -0.514 | -0.514 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 165 | PRO | 0 | 0.014 | -0.007 | 25.628 | -0.590 | -0.590 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 166 | TYR | 0 | -0.029 | -0.008 | 24.397 | -0.573 | -0.573 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 167 | PHE | 0 | 0.032 | 0.020 | 22.079 | -0.629 | -0.629 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 168 | VAL | 0 | -0.004 | 0.001 | 21.123 | -0.877 | -0.877 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 169 | PHE | 0 | -0.026 | -0.019 | 19.691 | -0.825 | -0.825 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 170 | ARG | 1 | 0.861 | 0.956 | 19.622 | 13.352 | 13.352 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 171 | ASP | -1 | -0.747 | -0.850 | 13.246 | -23.417 | -23.417 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 172 | THR | 0 | 0.029 | 0.030 | 11.735 | 1.092 | 1.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 173 | ILE | 0 | -0.042 | -0.026 | 11.726 | -2.117 | -2.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 174 | SER | 0 | 0.020 | 0.013 | 8.977 | 1.473 | 1.473 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 175 | ARG | 1 | 0.847 | 0.936 | 11.380 | 15.805 | 15.805 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 176 | LEU | 0 | 0.006 | 0.001 | 11.199 | -1.227 | -1.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 177 | ASP | -1 | -0.806 | -0.905 | 12.992 | -17.046 | -17.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 178 | GLY | 0 | 0.014 | 0.002 | 12.384 | 0.499 | 0.499 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 179 | ARG | 1 | 0.827 | 0.949 | 13.449 | 14.195 | 14.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 180 | ILE | 0 | -0.004 | 0.004 | 12.239 | -1.262 | -1.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 181 | MET | 0 | -0.001 | -0.004 | 14.675 | 1.886 | 1.886 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 183 | TYR | 0 | -0.046 | -0.074 | 17.908 | 0.996 | 0.996 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 184 | TYR | 0 | 0.028 | 0.003 | 18.849 | -0.355 | -0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 185 | ASN | 0 | -0.007 | -0.005 | 14.036 | 0.723 | 0.723 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 186 | VAL | 0 | 0.019 | 0.000 | 17.898 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 187 | LEU | 0 | -0.018 | -0.010 | 16.681 | 0.533 | 0.533 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 188 | LEU | 0 | -0.050 | -0.008 | 13.843 | -0.745 | -0.745 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 189 | LEU | 0 | 0.030 | 0.016 | 16.242 | -0.587 | -0.587 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 190 | ASN | 0 | 0.019 | 0.009 | 19.023 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 191 | PRO | 0 | 0.021 | 0.015 | 17.493 | 0.785 | 0.785 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 192 | GLY | 0 | 0.034 | 0.027 | 20.814 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 193 | PRO | 0 | 0.006 | -0.012 | 22.378 | -0.519 | -0.519 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 194 | ASP | -1 | -0.821 | -0.889 | 23.164 | -12.333 | -12.333 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 195 | ARG | 1 | 0.986 | 0.962 | 17.111 | 17.132 | 17.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 196 | ASP | -1 | -0.819 | -0.895 | 21.759 | -12.416 | -12.416 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 197 | ALA | 0 | 0.049 | 0.024 | 23.973 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 198 | THR | 0 | -0.051 | -0.005 | 22.177 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 200 | ASN | 0 | 0.007 | 0.006 | 23.553 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 201 | SER | 0 | -0.018 | -0.029 | 27.090 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 202 | ARG | 1 | 0.845 | 0.910 | 21.645 | 13.986 | 13.986 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 203 | GLN | 0 | 0.038 | 0.020 | 25.090 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 204 | ALA | 0 | 0.016 | 0.002 | 27.188 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 205 | ALA | 0 | 0.016 | 0.014 | 30.052 | 0.306 | 0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 206 | LEU | 0 | -0.012 | 0.015 | 25.303 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 207 | ALA | 0 | 0.001 | -0.004 | 29.901 | 0.291 | 0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 208 | VAL | 0 | 0.023 | 0.006 | 31.863 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 209 | SER | 0 | -0.038 | -0.033 | 32.492 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 210 | LYS | 1 | 0.866 | 0.919 | 29.179 | 10.696 | 10.696 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 211 | PHE | 0 | 0.018 | -0.003 | 34.319 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 212 | LEU | 0 | 0.007 | 0.007 | 37.297 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 213 | LEU | 0 | 0.018 | 0.000 | 35.764 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 214 | ALA | 0 | -0.002 | -0.005 | 36.417 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 215 | PHE | 0 | -0.054 | -0.023 | 38.505 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 216 | LEU | 0 | 0.029 | 0.019 | 40.818 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 217 | VAL | 0 | 0.022 | 0.015 | 42.600 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 218 | PRO | 0 | 0.000 | 0.004 | 41.728 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 219 | LEU | 0 | 0.002 | 0.003 | 44.237 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 220 | ALA | 0 | 0.014 | 0.019 | 46.916 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 221 | ILE | 0 | -0.018 | -0.008 | 46.346 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 222 | ILE | 0 | -0.011 | 0.001 | 46.864 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 223 | ALA | 0 | 0.012 | 0.002 | 50.756 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 224 | SER | 0 | 0.007 | 0.009 | 52.621 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 225 | SER | 0 | -0.039 | -0.039 | 52.894 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 226 | HIS | 0 | -0.035 | -0.019 | 54.962 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 227 | ALA | 0 | 0.032 | 0.014 | 56.784 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 228 | ALA | 0 | 0.011 | 0.012 | 58.359 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 229 | VAL | 0 | -0.060 | -0.047 | 58.584 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 230 | SER | 0 | -0.025 | 0.003 | 61.027 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 231 | LEU | 0 | 0.085 | 0.045 | 62.925 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 232 | ARG | 1 | 0.833 | 0.915 | 63.906 | 5.008 | 5.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 233 | LEU | 0 | -0.063 | -0.050 | 63.554 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 234 | GLN | 0 | 0.010 | 0.023 | 66.906 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 235 | HIS | 0 | 0.078 | 0.040 | 68.906 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 236 | ARG | 1 | 0.723 | 0.823 | 65.659 | 4.858 | 4.858 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 1238 | ALA | 0 | -0.018 | -0.007 | 71.032 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 1239 | ASP | -1 | -0.847 | -0.925 | 72.951 | -4.325 | -4.325 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 1240 | LEU | 0 | -0.069 | -0.041 | 72.646 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 1241 | GLY | 0 | -0.024 | -0.012 | 74.986 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 1242 | LEU | 0 | -0.005 | 0.000 | 76.324 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 1243 | GLN | 0 | -0.039 | 0.000 | 78.558 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 1244 | HIS | 0 | 0.076 | 0.028 | 81.253 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 1245 | ARG | 1 | 0.936 | 0.956 | 82.196 | 3.886 | 3.886 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 1246 | ASN | 0 | -0.071 | -0.035 | 78.134 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 1247 | ILE | 0 | 0.002 | 0.013 | 78.910 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 1248 | PHE | 0 | -0.041 | -0.032 | 79.903 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 1249 | GLU | -1 | -0.817 | -0.889 | 76.955 | -4.229 | -4.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 1250 | MET | 0 | -0.088 | -0.050 | 74.923 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 1251 | LEU | 0 | -0.066 | -0.039 | 70.362 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 1252 | ARG | 1 | 0.906 | 0.951 | 72.029 | 4.275 | 4.275 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 1253 | ILE | 0 | 0.029 | 0.007 | 68.427 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 1254 | ASP | -1 | -0.803 | -0.893 | 69.236 | -4.450 | -4.450 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 1255 | GLU | -1 | -0.753 | -0.830 | 68.390 | -4.725 | -4.725 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 1256 | GLY | 0 | -0.066 | -0.033 | 66.896 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 1257 | GLY | 0 | 0.019 | 0.022 | 67.572 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 1258 | GLY | 0 | -0.008 | -0.006 | 69.608 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 1259 | SER | 0 | 0.019 | 0.000 | 70.206 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 1260 | GLY | 0 | 0.034 | 0.013 | 70.307 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 1261 | GLY | 0 | -0.031 | -0.018 | 72.030 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 1262 | ASP | -1 | -0.803 | -0.903 | 66.442 | -4.841 | -4.841 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 1263 | GLU | -1 | -0.840 | -0.925 | 66.591 | -4.893 | -4.893 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 1264 | ALA | 0 | -0.021 | 0.001 | 66.660 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 1265 | GLU | -1 | -0.880 | -0.943 | 63.642 | -4.926 | -4.926 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 1266 | LYS | 1 | 0.730 | 0.878 | 62.072 | 4.696 | 4.696 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 1267 | LEU | 0 | 0.046 | 0.010 | 55.745 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 1268 | PHE | 0 | -0.032 | -0.032 | 54.040 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 1269 | ASN | 0 | 0.006 | 0.008 | 59.861 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 1270 | GLN | 0 | 0.011 | -0.020 | 63.214 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 1271 | ASP | -1 | -0.743 | -0.876 | 66.639 | -4.513 | -4.513 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 1272 | VAL | 0 | -0.007 | -0.021 | 69.334 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 1273 | ASP | -1 | -0.860 | -0.917 | 72.174 | -4.265 | -4.265 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 1274 | ALA | 0 | -0.038 | -0.014 | 70.110 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 1275 | ALA | 0 | -0.023 | -0.006 | 70.525 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 1276 | VAL | 0 | -0.011 | -0.014 | 72.169 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 1277 | ARG | 1 | 0.952 | 0.976 | 72.783 | 4.428 | 4.428 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 1278 | GLY | 0 | 0.004 | 0.006 | 73.323 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 1279 | ILE | 0 | -0.057 | -0.042 | 74.065 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 1280 | LEU | 0 | -0.012 | -0.024 | 76.420 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 1281 | ARG | 1 | 0.887 | 0.952 | 71.968 | 4.501 | 4.501 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 1282 | ASN | 0 | -0.005 | -0.003 | 74.127 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 1283 | ALA | 0 | 0.069 | 0.029 | 77.693 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 1284 | LYS | 1 | 0.885 | 0.942 | 75.809 | 4.324 | 4.324 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 1285 | LEU | 0 | -0.078 | -0.028 | 73.969 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 1286 | LYS | 1 | 0.977 | 1.015 | 78.575 | 3.869 | 3.869 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 1287 | PRO | 0 | 0.023 | 0.015 | 81.419 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 1288 | VAL | 0 | -0.025 | -0.010 | 79.402 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 1289 | TYR | 0 | 0.035 | 0.005 | 77.978 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 1290 | ASP | -1 | -0.842 | -0.930 | 81.215 | -3.844 | -3.844 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 1291 | SER | 0 | -0.050 | -0.026 | 84.007 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 1292 | LEU | 0 | -0.067 | -0.034 | 79.549 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 1293 | ASP | -1 | -0.754 | -0.855 | 82.449 | -3.934 | -3.934 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 1294 | ALA | 0 | 0.052 | 0.006 | 81.689 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 1295 | VAL | 0 | 0.028 | 0.022 | 78.265 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 1296 | ARG | 1 | 0.812 | 0.884 | 77.605 | 3.888 | 3.888 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 1297 | ARG | 1 | 0.884 | 0.952 | 77.623 | 3.845 | 3.845 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 1298 | ALA | 0 | 0.037 | 0.027 | 75.001 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 1299 | ALA | 0 | -0.027 | -0.017 | 73.357 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 1300 | LEU | 0 | 0.010 | -0.004 | 72.716 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 1301 | ILE | 0 | 0.025 | 0.019 | 71.542 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 1302 | ASN | 0 | 0.008 | 0.006 | 69.251 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 1303 | MET | 0 | -0.041 | -0.014 | 68.255 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 1304 | VAL | 0 | 0.014 | 0.009 | 68.210 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 1305 | PHE | 0 | 0.005 | 0.008 | 65.937 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 1306 | GLN | 0 | -0.103 | -0.059 | 64.024 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 1307 | MET | 0 | -0.086 | -0.044 | 63.379 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 1308 | GLY | 0 | 0.077 | 0.054 | 65.259 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 1309 | GLU | -1 | -0.807 | -0.907 | 67.226 | -4.509 | -4.509 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 1310 | THR | 0 | 0.017 | -0.003 | 67.260 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 1311 | GLY | 0 | 0.026 | 0.022 | 67.509 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 1312 | VAL | 0 | 0.000 | -0.012 | 68.362 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 1313 | ALA | 0 | 0.014 | 0.019 | 71.377 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 1314 | GLY | 0 | 0.015 | 0.008 | 71.437 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 1315 | PHE | 0 | -0.003 | -0.003 | 68.845 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 1316 | THR | 0 | 0.035 | 0.015 | 74.281 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 1317 | ASN | 0 | 0.004 | -0.007 | 77.108 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 1318 | SER | 0 | -0.003 | -0.012 | 75.697 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 1319 | LEU | 0 | 0.005 | 0.007 | 75.847 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 1320 | ARG | 1 | 0.953 | 0.955 | 78.940 | 3.968 | 3.968 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 1321 | MET | 0 | -0.039 | 0.024 | 80.386 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 1322 | LEU | 0 | -0.016 | -0.011 | 76.799 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 1323 | GLN | 0 | 0.016 | 0.006 | 81.503 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 1324 | GLN | 0 | -0.005 | 0.002 | 84.345 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 1325 | LYS | 1 | 0.937 | 0.972 | 84.631 | 3.786 | 3.786 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 1326 | ARG | 1 | 0.879 | 0.935 | 84.148 | 3.805 | 3.805 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 1327 | TRP | 0 | 0.030 | 0.002 | 80.688 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 1328 | ASP | -1 | -0.798 | -0.894 | 79.395 | -4.067 | -4.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 1329 | GLU | -1 | -0.821 | -0.905 | 78.985 | -3.942 | -3.942 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 1330 | ALA | 0 | -0.002 | -0.004 | 78.269 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 1331 | ALA | 0 | -0.030 | -0.020 | 75.337 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 1332 | VAL | 0 | 0.014 | 0.013 | 74.174 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 1333 | ASN | 0 | 0.008 | 0.006 | 73.843 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 1334 | LEU | 0 | -0.004 | -0.003 | 71.966 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 1335 | ALA | 0 | -0.014 | -0.003 | 69.871 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 1336 | LYS | 1 | 0.934 | 0.976 | 69.073 | 4.529 | 4.529 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 1337 | SER | 0 | 0.007 | 0.003 | 68.368 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 1338 | ARG | 1 | 0.976 | 0.974 | 60.624 | 5.220 | 5.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 1339 | TRP | 0 | 0.039 | 0.015 | 63.111 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 1340 | TYR | 0 | 0.025 | 0.010 | 63.906 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 1341 | ASN | 0 | -0.036 | -0.024 | 61.556 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 1342 | GLN | 0 | 0.045 | 0.021 | 58.142 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 1343 | THR | 0 | -0.088 | -0.035 | 59.207 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 1344 | PRO | 0 | 0.089 | 0.055 | 60.778 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 1345 | ASN | 0 | -0.073 | -0.054 | 60.201 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 1346 | ARG | 1 | 0.855 | 0.936 | 61.825 | 5.259 | 5.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 1347 | ALA | 0 | 0.044 | 0.047 | 65.005 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 1348 | LYS | 1 | 0.989 | 0.981 | 67.151 | 4.785 | 4.785 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 1349 | ARG | 1 | 0.799 | 0.908 | 68.020 | 4.720 | 4.720 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 1350 | VAL | 0 | 0.023 | 0.038 | 69.421 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 1351 | ILE | 0 | 0.019 | 0.006 | 70.301 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 1352 | THR | 0 | -0.044 | -0.048 | 72.283 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 1353 | THR | 0 | -0.002 | 0.016 | 73.569 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 1354 | PHE | 0 | -0.004 | -0.012 | 73.978 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 1355 | ARG | 1 | 0.825 | 0.906 | 76.615 | 4.182 | 4.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 1356 | THR | 0 | -0.005 | -0.021 | 77.964 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 1357 | GLY | 0 | 0.016 | 0.019 | 79.892 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 1358 | THR | 0 | -0.002 | 0.002 | 78.392 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 1359 | TRP | 0 | 0.048 | 0.007 | 71.963 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 1360 | ASP | -1 | -0.888 | -0.936 | 70.615 | -4.570 | -4.570 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 1361 | ALA | 0 | 0.031 | 0.022 | 72.008 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 1362 | TYR | 0 | 0.008 | -0.014 | 61.479 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 2238 | ARG | 1 | 0.808 | 0.880 | 66.934 | 4.595 | 4.595 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 2239 | ARG | 1 | 1.023 | 1.028 | 68.016 | 4.430 | 4.430 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 2240 | ARG | 1 | 0.889 | 0.956 | 63.450 | 4.952 | 4.952 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 2241 | PRO | 0 | 0.055 | 0.027 | 64.995 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 2242 | GLY | 0 | -0.016 | -0.004 | 60.856 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 2243 | ARG | 1 | 0.932 | 0.959 | 58.131 | 5.430 | 5.430 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 2244 | PHE | 0 | 0.028 | -0.013 | 54.369 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 2245 | VAL | 0 | 0.054 | 0.040 | 55.062 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 2246 | ARG | 1 | 0.981 | 0.986 | 55.562 | 5.288 | 5.288 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 2247 | LEU | 0 | 0.005 | 0.028 | 49.994 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 2248 | VAL | 0 | 0.016 | -0.001 | 50.730 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 2249 | ALA | 0 | 0.020 | 0.012 | 50.620 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 2250 | ALA | 0 | 0.026 | 0.014 | 51.123 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 2251 | VAL | 0 | 0.026 | 0.009 | 45.594 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 2252 | VAL | 0 | 0.006 | 0.008 | 46.153 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 2253 | ALA | 0 | 0.002 | 0.005 | 46.686 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 2254 | ALA | 0 | 0.024 | 0.012 | 44.864 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 2255 | PHE | 0 | 0.016 | 0.007 | 39.688 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 2256 | ALA | 0 | 0.008 | -0.012 | 41.901 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 2257 | LEU | 0 | -0.002 | -0.011 | 42.941 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 2258 | CYS | 0 | -0.057 | -0.021 | 39.385 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 2259 | TRP | 0 | 0.019 | -0.001 | 33.619 | -0.332 | -0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 2260 | GLY | 0 | 0.028 | 0.032 | 37.887 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 2261 | PRO | 0 | 0.013 | -0.003 | 38.122 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 2262 | TYR | 0 | 0.072 | 0.041 | 29.187 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 2263 | HIS | 1 | 0.814 | 0.899 | 33.887 | 8.357 | 8.357 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 2264 | VAL | 0 | 0.023 | 0.024 | 35.164 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 2265 | PHE | 0 | 0.027 | 0.010 | 32.194 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 2266 | SER | 0 | -0.018 | 0.004 | 29.320 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 2267 | LEU | 0 | 0.017 | 0.000 | 30.852 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 2268 | LEU | 0 | -0.026 | -0.009 | 32.902 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 2269 | GLU | -1 | -0.811 | -0.886 | 26.058 | -11.792 | -11.792 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 2270 | ALA | 0 | -0.003 | 0.001 | 28.019 | -0.291 | -0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 2271 | ARG | 1 | 0.901 | 0.961 | 29.500 | 8.764 | 8.764 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 2272 | ALA | 0 | 0.007 | -0.005 | 28.269 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 2273 | HIS | 0 | -0.064 | -0.020 | 23.565 | -0.429 | -0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 2274 | ALA | 0 | 0.047 | 0.020 | 27.098 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 2275 | ASN | 0 | 0.015 | 0.019 | 29.907 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 2276 | PRO | 0 | 0.079 | 0.030 | 27.015 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 2277 | GLY | 0 | 0.023 | 0.005 | 28.500 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 2278 | LEU | 0 | 0.019 | 0.001 | 30.956 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 2279 | ARG | 1 | 0.811 | 0.903 | 23.593 | 12.026 | 12.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 2280 | PRO | 0 | -0.003 | -0.013 | 27.648 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 2281 | LEU | 0 | -0.005 | 0.012 | 28.954 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 2282 | VAL | 0 | 0.042 | 0.006 | 28.371 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 2283 | TRP | 0 | 0.012 | -0.006 | 23.881 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 2284 | ARG | 1 | 0.928 | 0.975 | 28.574 | 9.260 | 9.260 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 2285 | GLY | 0 | 0.033 | 0.022 | 31.947 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 2286 | LEU | 0 | -0.016 | -0.002 | 27.227 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 2287 | PRO | 0 | 0.019 | 0.020 | 28.046 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 2288 | PHE | 0 | 0.054 | 0.043 | 29.905 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 2289 | VAL | 0 | 0.001 | 0.005 | 33.418 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 2290 | THR | 0 | -0.038 | -0.034 | 28.765 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 2291 | SER | 0 | -0.043 | -0.024 | 32.099 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 2292 | LEU | 0 | 0.002 | 0.002 | 33.517 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 2293 | ALA | 0 | 0.002 | -0.004 | 34.075 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 2294 | PHE | 0 | -0.004 | -0.012 | 28.671 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 2295 | PHE | 0 | 0.018 | 0.005 | 34.815 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 2296 | ASN | 0 | 0.013 | 0.016 | 38.164 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 2297 | SER | 0 | -0.045 | -0.045 | 37.576 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 2298 | VAL | 0 | 0.002 | 0.004 | 38.757 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 2299 | ALA | 0 | -0.009 | -0.001 | 41.493 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 2300 | ASN | 0 | -0.043 | -0.040 | 42.140 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 2301 | PRO | 0 | 0.030 | 0.007 | 43.307 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 2302 | VAL | 0 | 0.048 | 0.033 | 46.169 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 2303 | LEU | 0 | 0.014 | 0.004 | 46.922 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 2304 | TYR | 0 | -0.011 | -0.010 | 44.445 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 2305 | VAL | 0 | -0.017 | -0.013 | 50.576 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 2306 | LEU | 0 | 0.001 | 0.008 | 51.597 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 2307 | THR | 0 | -0.031 | -0.018 | 52.819 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 2308 | CYS | 0 | -0.103 | -0.032 | 54.721 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 2309 | PRO | 0 | 0.113 | 0.038 | 56.490 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 2310 | ASP | -1 | -0.884 | -0.928 | 58.718 | -5.198 | -5.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 2311 | MET | 0 | -0.034 | -0.013 | 51.478 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 2312 | LEU | 0 | 0.082 | 0.052 | 55.322 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 2313 | ARG | 1 | 0.830 | 0.894 | 56.488 | 5.157 | 5.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 2314 | LYS | 1 | 0.877 | 0.932 | 55.814 | 5.462 | 5.462 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 2315 | LEU | 0 | 0.064 | 0.045 | 51.570 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 2316 | ARG | 1 | 1.000 | 0.993 | 55.043 | 5.314 | 5.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 2317 | ARG | 1 | 0.927 | 0.976 | 57.824 | 5.161 | 5.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 2318 | SER | 0 | -0.047 | -0.012 | 54.531 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 2319 | LEU | 0 | 0.053 | 0.021 | 53.377 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 2320 | ARG | 1 | 0.824 | 0.878 | 55.856 | 5.048 | 5.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 2321 | THR | 0 | -0.013 | -0.023 | 58.083 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 2322 | VAL | 0 | -0.021 | -0.012 | 53.016 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 2323 | LEU | 0 | -0.026 | -0.019 | 55.724 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 2324 | GLU | -1 | -0.801 | -0.870 | 58.209 | -4.986 | -4.986 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 2325 | SER | 0 | -0.075 | -0.031 | 57.315 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 2326 | VAL | 0 | -0.061 | -0.032 | 58.129 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 2327 | LEU | -1 | -0.932 | -0.938 | 60.626 | -4.955 | -4.955 | 0.000 | 0.000 | 0.000 | 0.000 |