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: 3K6RL
Calculation Name: 2AC1-A-Xray547
Preferred Name:
Target Type:
Ligand Name: 2-acetamido-2-deoxy-beta-d-glucopyranose | alpha-d-mannopyranose | glycerol
Ligand 3-letter code: NAG | MAN | GOL
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 2AC1
Chain ID: A
UniProt ID: Q43866
Base Structure: X-ray
Registration Date: 2025-10-03
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 | 536 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -11967630.393449 |
|---|---|
| FMO2-HF: Nuclear repulsion | 11754940.457343 |
| FMO2-HF: Total energy | -212689.936106 |
| FMO2-MP2: Total energy | -213316.879015 |
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:ASN)
Summations of interaction energy for
fragment #1(A:5:ASN)
| 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. |
| 140.1 | 142.387 | 0.006 | -0.88 | -1.413 | -0.003 |
Interaction energy analysis for fragmet #1(A:5:ASN)
| 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 | PRO | 0 | -0.025 | -0.013 | 3.041 | 3.693 | 5.847 | 0.007 | -0.874 | -1.287 | -0.003 |
| 4 | A | 8 | TYR | 0 | 0.040 | -0.015 | 5.309 | 3.761 | 3.894 | -0.001 | -0.006 | -0.126 | 0.000 |
| 5 | A | 9 | ARG | 1 | 0.867 | 0.971 | 6.318 | 32.212 | 32.212 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 10 | THR | 0 | -0.094 | -0.056 | 9.216 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 11 | GLY | 0 | -0.005 | -0.002 | 11.482 | -0.886 | -0.886 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 12 | PHE | 0 | -0.016 | -0.035 | 12.806 | 1.142 | 1.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 13 | HIS | 1 | 0.781 | 0.860 | 15.662 | 18.378 | 18.378 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 14 | PHE | 0 | 0.040 | 0.031 | 15.862 | -0.789 | -0.789 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 15 | GLN | 0 | 0.083 | 0.045 | 11.833 | -0.668 | -0.668 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 16 | PRO | 0 | 0.072 | 0.049 | 13.888 | -0.452 | -0.452 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 17 | PRO | 0 | 0.012 | 0.014 | 9.750 | -1.697 | -1.697 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 18 | LYS | 1 | 0.912 | 0.960 | 8.777 | 16.524 | 16.524 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 19 | ASN | 0 | -0.041 | -0.035 | 10.954 | 0.521 | 0.521 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 20 | TRP | 0 | -0.027 | -0.010 | 14.082 | -0.735 | -0.735 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 21 | MET | 0 | -0.078 | 0.004 | 17.049 | 0.660 | 0.660 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 22 | ASN | 0 | 0.032 | -0.008 | 18.899 | -0.434 | -0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 23 | ASP | -1 | -0.761 | -0.842 | 22.367 | -11.643 | -11.643 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 24 | PRO | 0 | -0.005 | 0.016 | 24.782 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 25 | ASN | 0 | -0.069 | -0.053 | 25.689 | 0.462 | 0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 26 | GLY | 0 | 0.012 | -0.004 | 27.852 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 27 | PRO | 0 | -0.014 | 0.003 | 28.030 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 28 | MET | 0 | -0.037 | -0.008 | 29.701 | 0.428 | 0.428 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 29 | ILE | 0 | -0.025 | -0.001 | 30.746 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 30 | TYR | 0 | -0.028 | -0.042 | 32.901 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 31 | LYS | 1 | 0.904 | 0.962 | 33.422 | 7.738 | 7.738 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 32 | GLY | 0 | 0.019 | 0.015 | 33.906 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 33 | ILE | 0 | -0.021 | 0.003 | 28.015 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 34 | TYR | 0 | -0.039 | -0.043 | 27.500 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 35 | HIS | 0 | 0.021 | 0.013 | 26.674 | -0.554 | -0.554 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 36 | LEU | 0 | -0.001 | 0.010 | 21.633 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 37 | PHE | 0 | 0.016 | -0.001 | 24.186 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 38 | TYR | 0 | 0.015 | -0.004 | 17.700 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 39 | GLN | 0 | -0.015 | 0.000 | 23.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 40 | TRP | 0 | 0.009 | -0.010 | 14.806 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 41 | ASN | 0 | 0.071 | 0.046 | 18.666 | 0.917 | 0.917 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 42 | PRO | 0 | 0.000 | -0.015 | 17.830 | -0.806 | -0.806 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 43 | LYS | 1 | 0.868 | 0.936 | 17.089 | 11.546 | 11.546 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 44 | GLY | 0 | 0.063 | 0.029 | 16.293 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 45 | ALA | 0 | 0.007 | 0.016 | 13.267 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 46 | VAL | 0 | 0.044 | 0.026 | 15.253 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 47 | TRP | 0 | 0.022 | 0.014 | 18.888 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 48 | GLY | 0 | 0.046 | 0.016 | 22.158 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 49 | ASN | 0 | -0.107 | -0.078 | 21.665 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 50 | ILE | 0 | -0.018 | 0.023 | 22.545 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 51 | VAL | 0 | -0.001 | -0.009 | 22.520 | 0.536 | 0.536 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 52 | TRP | 0 | -0.004 | -0.007 | 24.026 | -0.355 | -0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 53 | ALA | 0 | 0.004 | 0.002 | 20.192 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 54 | HIS | 1 | 0.826 | 0.903 | 21.693 | 11.415 | 11.415 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 55 | SER | 0 | 0.041 | 0.022 | 19.498 | -0.449 | -0.449 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 56 | THR | 0 | 0.017 | 0.008 | 22.151 | 0.540 | 0.540 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 57 | SER | 0 | 0.031 | 0.007 | 23.037 | -0.319 | -0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 58 | THR | 0 | 0.038 | 0.010 | 24.981 | 0.354 | 0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 59 | ASP | -1 | -0.875 | -0.929 | 23.951 | -12.366 | -12.366 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 60 | LEU | 0 | -0.033 | -0.021 | 25.149 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 61 | ILE | 0 | -0.057 | -0.021 | 20.705 | -0.350 | -0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 62 | ASN | 0 | -0.004 | -0.021 | 19.385 | -1.498 | -1.498 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 63 | TRP | 0 | -0.062 | -0.031 | 18.731 | 1.058 | 1.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 64 | ASP | -1 | -0.847 | -0.916 | 18.448 | -13.862 | -13.862 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 65 | PRO | 0 | -0.002 | -0.009 | 16.464 | 0.493 | 0.493 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 66 | HIS | 0 | -0.031 | -0.022 | 19.148 | 0.706 | 0.706 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 67 | PRO | 0 | -0.001 | -0.008 | 21.266 | -0.332 | -0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 68 | PRO | 0 | -0.004 | -0.012 | 21.575 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 69 | ALA | 0 | -0.016 | 0.017 | 24.093 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 70 | ILE | 0 | -0.016 | -0.013 | 27.390 | 0.410 | 0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 71 | PHE | 0 | 0.007 | 0.000 | 26.515 | -0.380 | -0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 72 | PRO | 0 | 0.012 | 0.010 | 27.834 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 73 | SER | 0 | -0.057 | -0.021 | 30.698 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 74 | ALA | 0 | 0.016 | 0.022 | 33.383 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 75 | PRO | 0 | 0.046 | 0.010 | 36.450 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 76 | PHE | 0 | 0.049 | 0.015 | 36.474 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 77 | ASP | -1 | -0.712 | -0.855 | 33.037 | -8.823 | -8.823 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 78 | ILE | 0 | -0.018 | 0.012 | 32.680 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 79 | ASN | 0 | -0.004 | -0.012 | 32.050 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 80 | GLY | 0 | -0.023 | -0.011 | 29.307 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 81 | CYS | 0 | -0.072 | -0.010 | 28.506 | 0.406 | 0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 82 | TRP | 0 | 0.053 | 0.035 | 28.345 | -0.336 | -0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 83 | SER | 0 | 0.056 | -0.004 | 28.596 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 84 | GLY | 0 | 0.026 | 0.006 | 30.398 | 0.344 | 0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 85 | SER | 0 | -0.034 | -0.053 | 31.736 | -0.402 | -0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 86 | ALA | 0 | 0.040 | 0.037 | 32.791 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 87 | THR | 0 | -0.005 | 0.001 | 34.644 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 88 | ILE | 0 | -0.011 | 0.005 | 36.021 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 89 | LEU | 0 | 0.021 | 0.017 | 39.711 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 90 | PRO | 0 | 0.030 | -0.007 | 43.214 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 91 | ASN | 0 | -0.012 | 0.000 | 44.552 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 92 | GLY | 0 | 0.022 | 0.016 | 42.060 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 93 | LYS | 1 | 0.837 | 0.909 | 40.139 | 6.996 | 6.996 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 94 | PRO | 0 | 0.002 | 0.009 | 35.480 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 95 | VAL | 0 | -0.026 | -0.022 | 37.256 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 96 | ILE | 0 | -0.012 | -0.005 | 31.130 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 97 | LEU | 0 | 0.010 | 0.015 | 35.413 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 98 | TYR | 0 | -0.036 | -0.058 | 32.403 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 99 | THR | 0 | 0.035 | 0.005 | 33.707 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 100 | GLY | 0 | -0.033 | -0.013 | 33.035 | -0.328 | -0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 101 | ILE | 0 | -0.023 | 0.002 | 32.518 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 102 | ASP | -1 | -0.730 | -0.842 | 35.128 | -7.605 | -7.605 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 103 | PRO | 0 | 0.000 | -0.018 | 37.366 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 104 | LYS | 1 | 0.866 | 0.937 | 39.095 | 6.978 | 6.978 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 105 | ASN | 0 | -0.035 | -0.017 | 35.528 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 106 | GLN | 0 | -0.067 | -0.036 | 37.483 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 107 | GLN | 0 | 0.028 | 0.019 | 35.457 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 108 | VAL | 0 | -0.011 | -0.009 | 37.662 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 109 | GLN | 0 | -0.004 | 0.004 | 37.698 | -0.425 | -0.425 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 110 | ASN | 0 | 0.005 | 0.000 | 35.952 | 0.442 | 0.442 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 111 | ILE | 0 | 0.003 | -0.002 | 37.544 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 112 | ALA | 0 | 0.019 | 0.003 | 34.324 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 113 | GLU | -1 | -0.848 | -0.911 | 36.330 | -7.292 | -7.292 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 114 | PRO | 0 | 0.040 | 0.023 | 34.445 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 115 | LYS | 1 | 0.837 | 0.906 | 33.192 | 8.933 | 8.933 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 116 | ASN | 0 | 0.043 | 0.015 | 35.379 | 0.348 | 0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 117 | LEU | 0 | 0.045 | 0.025 | 35.726 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 118 | SER | 0 | 0.022 | 0.012 | 37.593 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 119 | ASP | -1 | -0.770 | -0.851 | 30.813 | -9.665 | -9.665 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 120 | PRO | 0 | -0.016 | -0.009 | 31.434 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 121 | TYR | 0 | 0.025 | -0.002 | 26.238 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 122 | LEU | 0 | -0.058 | -0.024 | 28.363 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 123 | ARG | 1 | 0.872 | 0.909 | 26.381 | 9.919 | 9.919 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 124 | GLU | -1 | -0.838 | -0.898 | 28.420 | -9.069 | -9.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 125 | TRP | 0 | -0.008 | -0.016 | 30.267 | 0.373 | 0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 126 | LYS | 1 | 0.862 | 0.941 | 33.029 | 7.393 | 7.393 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 127 | LYS | 1 | 0.821 | 0.883 | 32.348 | 8.890 | 8.890 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 128 | SER | 0 | 0.018 | 0.018 | 37.096 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 129 | PRO | 0 | 0.010 | -0.002 | 40.882 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 130 | LEU | 0 | -0.016 | -0.016 | 43.213 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 131 | ASN | 0 | -0.026 | 0.025 | 38.314 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 132 | PRO | 0 | -0.011 | -0.009 | 40.938 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 133 | LEU | 0 | -0.033 | -0.015 | 41.848 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 134 | MET | 0 | -0.039 | -0.011 | 41.992 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 135 | ALA | 0 | 0.026 | 0.017 | 42.515 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 136 | PRO | 0 | -0.008 | 0.022 | 42.163 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 137 | ASP | -1 | -0.807 | -0.905 | 45.290 | -6.254 | -6.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 138 | ALA | 0 | -0.001 | -0.019 | 48.658 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 139 | VAL | 0 | -0.034 | -0.002 | 52.025 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 140 | ASN | 0 | -0.054 | -0.048 | 47.588 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 141 | GLY | 0 | 0.004 | 0.008 | 50.396 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 142 | ILE | 0 | -0.055 | -0.019 | 44.005 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 143 | ASN | 0 | 0.022 | 0.000 | 42.191 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 144 | ALA | 0 | 0.084 | 0.029 | 42.108 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 145 | SER | 0 | 0.009 | 0.015 | 38.449 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 146 | SER | 0 | -0.104 | -0.071 | 37.832 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 147 | PHE | 0 | 0.052 | 0.041 | 38.629 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 148 | ARG | 1 | 0.807 | 0.896 | 33.198 | 9.125 | 9.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 149 | ASP | -1 | -0.758 | -0.874 | 32.760 | -9.384 | -9.384 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 150 | PRO | 0 | -0.014 | 0.010 | 34.699 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 151 | THR | 0 | -0.014 | 0.006 | 35.867 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 152 | THR | 0 | -0.027 | -0.029 | 36.395 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 153 | ALA | 0 | -0.011 | 0.000 | 38.259 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 154 | TRP | 0 | -0.004 | -0.018 | 41.902 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 155 | LEU | 0 | -0.020 | -0.016 | 44.739 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 156 | GLY | 0 | 0.024 | 0.018 | 48.206 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 157 | GLN | 0 | 0.067 | 0.014 | 51.457 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 158 | ASP | -1 | -0.832 | -0.886 | 53.960 | -5.788 | -5.788 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 159 | LYS | 1 | 0.901 | 0.941 | 52.963 | 5.688 | 5.688 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 160 | LYS | 1 | 0.871 | 0.952 | 51.827 | 5.783 | 5.783 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 161 | TRP | 0 | -0.007 | -0.001 | 43.811 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 162 | ARG | 1 | 0.771 | 0.837 | 46.359 | 6.263 | 6.263 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 163 | VAL | 0 | -0.007 | 0.004 | 40.616 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 164 | ILE | 0 | -0.006 | 0.007 | 40.755 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 165 | ILE | 0 | -0.005 | -0.005 | 38.708 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 166 | GLY | 0 | 0.027 | 0.032 | 38.339 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 167 | SER | 0 | -0.017 | -0.043 | 39.355 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 168 | LYS | 1 | 0.947 | 0.964 | 39.185 | 7.947 | 7.947 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 169 | ILE | 0 | 0.005 | 0.017 | 43.396 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 170 | HIS | 0 | 0.027 | 0.005 | 45.868 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 171 | ARG | 1 | 0.828 | 0.882 | 40.382 | 7.454 | 7.454 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 172 | ARG | 1 | 0.863 | 0.952 | 44.776 | 6.269 | 6.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 173 | GLY | 0 | 0.045 | 0.039 | 42.852 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 174 | LEU | 0 | -0.046 | -0.044 | 42.947 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 175 | ALA | 0 | 0.034 | 0.019 | 42.597 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 176 | ILE | 0 | -0.009 | -0.009 | 43.616 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 177 | THR | 0 | 0.046 | 0.018 | 44.549 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 178 | TYR | 0 | 0.034 | 0.023 | 45.338 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 179 | THR | 0 | -0.002 | -0.012 | 47.075 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 180 | SER | 0 | 0.017 | 0.002 | 47.709 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 181 | LYS | 1 | 0.948 | 0.957 | 49.676 | 5.538 | 5.538 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 182 | ASP | -1 | -0.796 | -0.887 | 49.635 | -6.109 | -6.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 183 | PHE | 0 | -0.003 | 0.000 | 40.778 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 184 | LEU | 0 | -0.007 | 0.011 | 44.340 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 185 | LYS | 1 | 0.897 | 0.929 | 46.619 | 5.813 | 5.813 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 186 | TRP | 0 | -0.037 | -0.024 | 43.894 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 187 | GLU | -1 | -0.890 | -0.939 | 48.316 | -5.742 | -5.742 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 188 | LYS | 1 | 0.894 | 0.943 | 48.637 | 6.148 | 6.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 189 | SER | 0 | 0.014 | 0.001 | 49.856 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 190 | PRO | 0 | -0.007 | -0.008 | 51.680 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 191 | GLU | -1 | -0.827 | -0.888 | 52.763 | -5.867 | -5.867 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 192 | PRO | 0 | -0.034 | -0.025 | 47.488 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 193 | LEU | 0 | -0.007 | 0.020 | 44.756 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 194 | HIS | 0 | 0.040 | 0.005 | 45.417 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 195 | TYR | 0 | -0.020 | -0.018 | 46.288 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 196 | ASP | -1 | -0.837 | -0.928 | 44.794 | -7.011 | -7.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 197 | ASP | -1 | -0.844 | -0.919 | 46.110 | -6.485 | -6.485 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 198 | GLY | 0 | 0.009 | -0.002 | 45.899 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 199 | SER | 0 | -0.019 | 0.003 | 41.582 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 200 | GLY | 0 | 0.009 | 0.015 | 40.242 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 201 | MET | 0 | -0.112 | -0.044 | 36.899 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 202 | TRP | 0 | 0.000 | 0.001 | 37.611 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 203 | GLU | -1 | -0.753 | -0.835 | 32.063 | -9.816 | -9.816 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 204 | CYS | 0 | -0.060 | -0.043 | 31.148 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 205 | PRO | 0 | 0.003 | 0.015 | 33.725 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 206 | ASP | -1 | -0.814 | -0.907 | 35.279 | -9.019 | -9.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 207 | PHE | 0 | -0.011 | 0.000 | 37.379 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 208 | PHE | 0 | -0.013 | -0.003 | 37.007 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 209 | PRO | 0 | 0.011 | 0.024 | 41.698 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 210 | VAL | 0 | -0.021 | -0.019 | 40.843 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 211 | THR | 0 | 0.058 | 0.026 | 43.598 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 212 | ARG | 1 | 0.845 | 0.928 | 45.398 | 6.606 | 6.606 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 213 | PHE | 0 | -0.018 | -0.021 | 46.832 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 214 | GLY | 0 | 0.046 | 0.032 | 44.827 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 215 | SER | 0 | -0.041 | -0.032 | 39.161 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 216 | ASN | 0 | 0.003 | -0.002 | 39.439 | -0.368 | -0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 217 | GLY | 0 | 0.007 | -0.007 | 39.173 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 218 | VAL | 0 | -0.031 | -0.011 | 40.055 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 219 | GLU | -1 | -0.775 | -0.880 | 41.412 | -7.486 | -7.486 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 220 | THR | 0 | 0.016 | 0.005 | 40.170 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 221 | SER | 0 | 0.008 | -0.005 | 42.533 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 222 | SER | 0 | -0.094 | -0.035 | 45.524 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 223 | PHE | 0 | -0.001 | -0.008 | 47.858 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 224 | GLY | 0 | -0.026 | -0.010 | 51.055 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 225 | GLU | -1 | -0.848 | -0.916 | 52.730 | -5.751 | -5.751 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 226 | PRO | 0 | -0.055 | -0.037 | 55.186 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 227 | ASN | 0 | -0.040 | -0.021 | 55.353 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 228 | GLU | -1 | -0.947 | -0.965 | 51.352 | -6.224 | -6.224 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 229 | ILE | 0 | 0.005 | -0.002 | 51.373 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 230 | LEU | 0 | 0.001 | 0.002 | 46.971 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 231 | LYS | 1 | 0.746 | 0.857 | 46.377 | 6.646 | 6.646 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 232 | HIS | 0 | 0.035 | 0.009 | 45.235 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 233 | VAL | 0 | -0.015 | -0.008 | 39.434 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 234 | LEU | 0 | 0.014 | 0.018 | 41.378 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 235 | LYS | 1 | 0.754 | 0.866 | 32.390 | 9.663 | 9.663 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 236 | ILE | 0 | 0.016 | 0.000 | 36.700 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 237 | SER | 0 | -0.007 | -0.037 | 31.889 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 238 | LEU | 0 | -0.026 | 0.005 | 34.319 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 239 | ASP | -1 | -0.788 | -0.907 | 33.119 | -9.666 | -9.666 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 240 | ASP | -1 | -0.831 | -0.921 | 33.313 | -8.544 | -8.544 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 241 | THR | 0 | -0.058 | -0.031 | 33.793 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 242 | LYS | 1 | 0.873 | 0.952 | 28.459 | 9.999 | 9.999 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 243 | HIS | 0 | -0.038 | -0.009 | 29.185 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 244 | ASP | -1 | -0.679 | -0.786 | 31.181 | -10.150 | -10.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 245 | TYR | 0 | -0.008 | -0.013 | 33.215 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 246 | TYR | 0 | 0.007 | -0.004 | 36.402 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 247 | THR | 0 | 0.004 | -0.007 | 39.150 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 248 | ILE | 0 | -0.017 | -0.003 | 42.191 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 249 | GLY | 0 | 0.071 | 0.030 | 44.893 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 250 | THR | 0 | -0.074 | -0.036 | 48.311 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 251 | TYR | 0 | 0.004 | -0.021 | 48.381 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 252 | ASP | -1 | -0.814 | -0.892 | 51.016 | -5.604 | -5.604 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 253 | ARG | 1 | 0.868 | 0.927 | 48.957 | 6.328 | 6.328 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 254 | VAL | 0 | -0.044 | -0.007 | 54.127 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 255 | LYS | 1 | 0.914 | 0.944 | 55.948 | 5.494 | 5.494 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 256 | ASP | -1 | -0.798 | -0.854 | 50.816 | -6.312 | -6.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 257 | LYS | 1 | 0.839 | 0.904 | 50.529 | 5.788 | 5.788 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 258 | PHE | 0 | -0.018 | -0.016 | 45.748 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 259 | VAL | 0 | -0.006 | 0.000 | 49.140 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 260 | PRO | 0 | -0.010 | 0.000 | 47.646 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 261 | ASP | -1 | -0.794 | -0.876 | 48.566 | -6.404 | -6.404 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 262 | ASN | 0 | -0.049 | -0.044 | 49.899 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 263 | GLY | 0 | 0.005 | 0.002 | 48.904 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 264 | PHE | 0 | -0.039 | -0.013 | 42.877 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 265 | LYS | 1 | 0.904 | 0.948 | 45.464 | 7.088 | 7.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 266 | MET | 0 | -0.060 | -0.004 | 40.175 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 267 | ASP | -1 | -0.726 | -0.846 | 41.916 | -7.397 | -7.397 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 268 | GLY | 0 | -0.004 | -0.009 | 38.943 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 269 | THR | 0 | -0.107 | -0.075 | 39.501 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 270 | ALA | 0 | -0.018 | 0.011 | 40.387 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 271 | PRO | 0 | -0.029 | -0.011 | 38.339 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 272 | ARG | 1 | 0.989 | 0.997 | 31.499 | 9.768 | 9.768 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 273 | TYR | 0 | -0.012 | -0.005 | 31.732 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 274 | ASP | -1 | -0.745 | -0.840 | 27.335 | -12.099 | -12.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 275 | TYR | 0 | 0.027 | 0.007 | 29.945 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 276 | GLY | 0 | -0.027 | -0.013 | 26.120 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 277 | LYS | 1 | 0.833 | 0.943 | 21.002 | 14.932 | 14.932 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 278 | TYR | 0 | -0.036 | -0.023 | 23.982 | -0.522 | -0.522 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 279 | TYR | 0 | -0.031 | -0.036 | 26.381 | 0.449 | 0.449 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 280 | ALA | 0 | 0.033 | 0.013 | 27.089 | -0.291 | -0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 281 | SER | 0 | -0.076 | -0.065 | 28.793 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 282 | LYS | 1 | 0.878 | 0.956 | 29.738 | 9.696 | 9.696 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 283 | THR | 0 | -0.083 | -0.062 | 30.652 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 284 | PHE | 0 | 0.027 | 0.012 | 29.601 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 285 | PHE | 0 | 0.004 | -0.001 | 34.069 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 286 | ASP | -1 | -0.722 | -0.856 | 33.307 | -9.289 | -9.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 287 | SER | 0 | 0.014 | -0.009 | 35.500 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 288 | ALA | 0 | 0.015 | 0.023 | 34.901 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 289 | LYS | 1 | 0.865 | 0.931 | 32.800 | 9.150 | 9.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 290 | ASN | 0 | 0.004 | 0.016 | 36.939 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 291 | ARG | 1 | 0.744 | 0.846 | 30.723 | 9.925 | 9.925 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 292 | ARG | 1 | 0.896 | 0.946 | 35.755 | 8.288 | 8.288 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 293 | ILE | 0 | -0.046 | -0.015 | 29.035 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 294 | LEU | 0 | -0.014 | -0.002 | 30.065 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 295 | TRP | 0 | 0.039 | 0.010 | 22.456 | -0.430 | -0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 296 | GLY | 0 | 0.053 | 0.002 | 25.703 | 0.496 | 0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 297 | TRP | 0 | -0.020 | 0.031 | 20.314 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 298 | THR | 0 | -0.026 | -0.029 | 19.961 | 0.464 | 0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 299 | ASN | 0 | 0.053 | 0.015 | 19.803 | -0.808 | -0.808 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 300 | GLU | -1 | -0.735 | -0.811 | 14.383 | -21.635 | -21.635 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 301 | SER | 0 | -0.022 | -0.030 | 17.031 | 1.150 | 1.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 302 | SER | 0 | 0.000 | 0.011 | 13.709 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 303 | SER | 0 | -0.015 | -0.022 | 15.424 | 0.414 | 0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 304 | VAL | 0 | 0.030 | 0.007 | 15.773 | -0.956 | -0.956 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 305 | GLU | -1 | -0.817 | -0.897 | 15.423 | -17.011 | -17.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 306 | ASP | -1 | -0.803 | -0.900 | 11.767 | -24.371 | -24.371 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 307 | ASP | -1 | -0.782 | -0.866 | 11.124 | -22.382 | -22.382 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 308 | VAL | 0 | -0.038 | -0.031 | 12.027 | -0.601 | -0.601 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 309 | GLU | -1 | -0.946 | -0.956 | 8.176 | -28.774 | -28.774 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 310 | LYS | 1 | 0.683 | 0.840 | 6.965 | 21.696 | 21.696 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 311 | GLY | 0 | 0.067 | 0.045 | 7.637 | -1.288 | -1.288 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 312 | TRP | 0 | -0.102 | -0.073 | 7.839 | 1.886 | 1.886 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 313 | SER | 0 | -0.037 | -0.037 | 12.081 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 314 | GLY | 0 | 0.006 | 0.013 | 15.116 | 0.890 | 0.890 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 315 | ILE | 0 | -0.037 | -0.025 | 15.144 | -0.872 | -0.872 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 316 | GLN | 0 | -0.007 | -0.028 | 17.727 | 1.334 | 1.334 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 317 | THR | 0 | -0.013 | -0.011 | 19.968 | -0.680 | -0.680 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 318 | ILE | 0 | -0.073 | -0.039 | 19.769 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 319 | PRO | 0 | 0.000 | 0.025 | 23.090 | 0.473 | 0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 320 | ARG | 1 | 0.821 | 0.874 | 25.857 | 11.842 | 11.842 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 321 | LYS | 1 | 0.872 | 0.961 | 29.158 | 8.881 | 8.881 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 322 | ILE | 0 | 0.014 | -0.006 | 32.796 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 323 | TRP | 0 | -0.047 | -0.020 | 34.731 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 324 | LEU | 0 | 0.046 | 0.039 | 39.236 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 325 | ASP | -1 | -0.762 | -0.846 | 41.441 | -7.368 | -7.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 326 | ARG | 1 | 0.947 | 0.964 | 42.842 | 6.787 | 6.787 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 327 | SER | 0 | -0.039 | -0.046 | 44.873 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 328 | GLY | 0 | -0.042 | -0.024 | 45.912 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 329 | LYS | 1 | 0.929 | 0.963 | 44.963 | 6.727 | 6.727 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 330 | GLN | 0 | -0.031 | -0.026 | 37.303 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 331 | LEU | 0 | 0.046 | 0.021 | 37.515 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 332 | ILE | 0 | -0.076 | -0.026 | 35.864 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 333 | GLN | 0 | 0.025 | -0.009 | 30.986 | -0.339 | -0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 334 | TRP | 0 | -0.036 | -0.021 | 30.762 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 335 | PRO | 0 | 0.016 | 0.019 | 25.964 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 336 | VAL | 0 | -0.030 | -0.010 | 26.493 | 0.352 | 0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 337 | ARG | 1 | 0.843 | 0.876 | 27.403 | 9.491 | 9.491 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 338 | GLU | -1 | -0.807 | -0.874 | 26.453 | -10.460 | -10.460 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 339 | VAL | 0 | 0.060 | 0.022 | 22.080 | -0.341 | -0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 340 | GLU | -1 | -0.834 | -0.897 | 23.679 | -10.954 | -10.954 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 341 | ARG | 1 | 0.918 | 0.964 | 24.793 | 11.114 | 11.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 342 | LEU | 0 | 0.025 | 0.031 | 18.937 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 343 | ARG | 1 | 0.760 | 0.870 | 21.307 | 11.121 | 11.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 344 | THR | 0 | -0.075 | -0.046 | 20.881 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 345 | LYS | 1 | 0.979 | 0.975 | 21.577 | 14.351 | 14.351 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 346 | GLN | 0 | -0.028 | 0.010 | 25.636 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 347 | VAL | 0 | 0.012 | 0.008 | 25.313 | -0.496 | -0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 348 | LYS | 1 | 0.944 | 0.989 | 25.000 | 11.970 | 11.970 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 349 | ASN | 0 | -0.017 | -0.025 | 26.897 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 350 | LEU | 0 | -0.019 | -0.014 | 28.190 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 351 | ARG | 1 | 0.946 | 0.966 | 31.772 | 8.942 | 8.942 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 352 | ASN | 0 | -0.001 | -0.010 | 35.387 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 353 | LYS | 1 | 0.875 | 0.955 | 32.864 | 9.005 | 9.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 354 | VAL | 0 | 0.055 | 0.031 | 35.719 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 355 | LEU | 0 | -0.033 | -0.002 | 31.660 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 356 | LYS | 1 | 0.979 | 0.979 | 35.216 | 9.078 | 9.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 357 | SER | 0 | 0.020 | 0.011 | 35.942 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 358 | GLY | 0 | 0.030 | 0.015 | 34.121 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 359 | SER | 0 | -0.082 | -0.038 | 32.660 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 360 | ARG | 1 | 0.966 | 0.963 | 25.833 | 11.703 | 11.703 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 361 | LEU | 0 | -0.028 | -0.007 | 28.758 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 362 | GLU | -1 | -0.791 | -0.879 | 21.504 | -14.419 | -14.419 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 363 | VAL | 0 | -0.053 | -0.032 | 23.266 | 0.474 | 0.474 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 364 | TYR | 0 | -0.024 | -0.034 | 22.455 | -0.397 | -0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 365 | GLY | 0 | 0.003 | -0.008 | 21.680 | 0.483 | 0.483 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 366 | VAL | 0 | -0.007 | -0.003 | 19.795 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 367 | THR | 0 | 0.012 | -0.009 | 14.951 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 368 | ALA | 0 | -0.024 | -0.007 | 16.285 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 369 | ALA | 0 | 0.022 | 0.027 | 11.519 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 370 | GLN | 0 | -0.032 | -0.017 | 12.319 | -2.831 | -2.831 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 371 | ALA | 0 | 0.007 | 0.014 | 15.233 | 0.631 | 0.631 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 372 | ASP | -1 | -0.705 | -0.804 | 18.982 | -12.679 | -12.679 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 373 | VAL | 0 | -0.001 | -0.004 | 22.292 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 374 | GLU | -1 | -0.829 | -0.910 | 25.005 | -10.607 | -10.607 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 375 | VAL | 0 | -0.009 | -0.011 | 28.405 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 376 | LEU | 0 | -0.019 | -0.015 | 31.123 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 377 | PHE | 0 | 0.030 | 0.021 | 30.208 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 378 | LYS | 1 | 0.809 | 0.882 | 35.976 | 7.818 | 7.818 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 379 | VAL | 0 | 0.027 | 0.021 | 38.949 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 380 | ARG | 1 | 0.885 | 0.935 | 40.819 | 7.315 | 7.315 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 381 | ASP | -1 | -0.759 | -0.871 | 43.960 | -7.070 | -7.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 382 | LEU | 0 | 0.055 | 0.032 | 43.520 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 383 | GLU | -1 | -0.868 | -0.943 | 46.318 | -6.586 | -6.586 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 384 | LYS | 1 | 0.861 | 0.931 | 45.511 | 6.782 | 6.782 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 385 | ALA | 0 | -0.051 | -0.011 | 43.835 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 386 | ASP | -1 | -0.780 | -0.891 | 42.978 | -7.276 | -7.276 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 387 | VAL | 0 | -0.060 | -0.029 | 45.134 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 388 | ILE | 0 | -0.017 | 0.000 | 42.244 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 389 | GLU | -1 | -0.866 | -0.933 | 44.773 | -6.655 | -6.655 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 390 | PRO | 0 | -0.033 | -0.034 | 46.050 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 391 | SER | 0 | 0.012 | 0.016 | 46.474 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 392 | TRP | 0 | -0.046 | -0.032 | 40.767 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 393 | THR | 0 | 0.036 | 0.009 | 42.438 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 394 | ASP | -1 | -0.817 | -0.891 | 36.123 | -8.992 | -8.992 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 395 | PRO | 0 | 0.002 | -0.015 | 34.942 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 396 | GLN | 0 | 0.012 | 0.016 | 29.202 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 397 | LEU | 0 | -0.002 | -0.003 | 32.898 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 398 | ILE | 0 | -0.022 | -0.003 | 35.445 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 399 | CYS | 0 | -0.052 | -0.017 | 29.834 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 400 | SER | 0 | -0.005 | -0.007 | 30.935 | -0.325 | -0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 401 | LYS | 1 | 0.925 | 0.964 | 31.944 | 8.208 | 8.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 402 | MET | 0 | -0.030 | -0.007 | 34.907 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 403 | ASN | 0 | 0.143 | 0.117 | 29.420 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 404 | VAL | 0 | -0.004 | -0.028 | 26.817 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 405 | SER | 0 | -0.071 | -0.040 | 30.154 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 406 | VAL | 0 | -0.008 | 0.016 | 31.927 | 0.295 | 0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 407 | LYS | 1 | 0.960 | 0.989 | 35.190 | 8.811 | 8.811 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 408 | SER | 0 | 0.041 | 0.023 | 37.476 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 409 | GLY | 0 | 0.028 | 0.016 | 39.899 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 410 | LEU | 0 | -0.052 | -0.025 | 39.953 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 411 | GLY | 0 | 0.043 | 0.034 | 35.900 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 412 | PRO | 0 | 0.007 | 0.006 | 31.722 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 413 | PHE | 0 | -0.003 | -0.005 | 32.232 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 414 | GLY | 0 | -0.002 | -0.001 | 29.364 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 415 | LEU | 0 | -0.024 | -0.016 | 24.532 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 416 | MET | 0 | -0.023 | 0.016 | 22.478 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 417 | VAL | 0 | 0.031 | -0.008 | 19.533 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 418 | LEU | 0 | 0.023 | 0.007 | 13.209 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 419 | ALA | 0 | 0.022 | 0.018 | 16.342 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 420 | SER | 0 | 0.012 | -0.036 | 15.726 | -0.799 | -0.799 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 421 | LYS | 1 | 0.851 | 0.917 | 16.998 | 16.053 | 16.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 422 | ASN | 0 | -0.056 | -0.045 | 19.287 | 1.210 | 1.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 423 | LEU | 0 | -0.065 | -0.023 | 20.949 | 0.715 | 0.715 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 424 | GLU | -1 | -0.763 | -0.834 | 18.284 | -15.794 | -15.794 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 425 | GLU | -1 | -0.664 | -0.811 | 13.953 | -22.053 | -22.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 426 | TYR | 0 | -0.027 | -0.036 | 18.320 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 427 | THR | 0 | 0.048 | 0.039 | 18.228 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 428 | SER | 0 | -0.041 | -0.019 | 20.731 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 429 | VAL | 0 | 0.018 | 0.019 | 23.510 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 430 | TYR | 0 | -0.060 | -0.042 | 26.245 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 431 | PHE | 0 | -0.006 | -0.005 | 29.875 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 432 | ARG | 1 | 0.784 | 0.855 | 33.616 | 8.994 | 8.994 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 433 | ILE | 0 | -0.055 | -0.028 | 36.393 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 434 | PHE | 0 | 0.074 | 0.040 | 38.598 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 435 | LYS | 1 | 0.824 | 0.900 | 43.051 | 6.547 | 6.547 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 436 | ALA | 0 | -0.016 | -0.019 | 46.773 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 437 | ARG | 1 | 0.974 | 0.984 | 48.190 | 5.987 | 5.987 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 438 | GLN | 0 | 0.078 | 0.025 | 51.308 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 439 | ASN | 0 | -0.001 | -0.009 | 53.121 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 440 | SER | 0 | 0.005 | 0.031 | 51.034 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 441 | ASN | 0 | 0.057 | 0.013 | 51.248 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 442 | LYS | 1 | 0.939 | 0.962 | 48.958 | 6.350 | 6.350 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 443 | TYR | 0 | 0.016 | 0.007 | 44.282 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 444 | VAL | 0 | 0.003 | 0.009 | 40.858 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 445 | VAL | 0 | -0.014 | -0.001 | 36.740 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 446 | LEU | 0 | 0.014 | 0.010 | 34.696 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 447 | MET | 0 | -0.033 | -0.013 | 28.876 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 449 | SER | 0 | 0.021 | 0.002 | 24.040 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 450 | ASP | -1 | -0.759 | -0.855 | 25.489 | -11.977 | -11.977 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 451 | GLN | 0 | 0.042 | -0.014 | 20.460 | -0.745 | -0.745 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 452 | SER | 0 | -0.018 | -0.015 | 21.124 | -0.680 | -0.680 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 453 | ARG | 1 | 0.866 | 0.926 | 21.108 | 13.272 | 13.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 454 | SER | 0 | -0.018 | -0.020 | 17.489 | -0.799 | -0.799 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 455 | SER | 0 | -0.075 | -0.066 | 13.312 | -1.055 | -1.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 456 | LEU | 0 | 0.003 | -0.006 | 14.762 | 0.999 | 0.999 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 457 | LYS | 1 | 0.772 | 0.890 | 12.380 | 20.988 | 20.988 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 458 | GLU | -1 | -0.885 | -0.945 | 15.488 | -14.000 | -14.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 459 | ASP | -1 | -0.836 | -0.910 | 17.040 | -16.764 | -16.764 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 460 | ASN | 0 | -0.090 | -0.047 | 14.128 | -0.617 | -0.617 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 461 | ASP | -1 | -0.786 | -0.889 | 18.022 | -12.786 | -12.786 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 462 | LYS | 1 | 0.801 | 0.902 | 17.646 | 16.354 | 16.354 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 463 | THR | 0 | -0.041 | -0.030 | 21.953 | 0.684 | 0.684 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 464 | THR | 0 | -0.036 | -0.002 | 24.870 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 465 | TYR | 0 | 0.018 | 0.015 | 23.295 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 466 | GLY | 0 | 0.022 | -0.012 | 28.447 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 467 | ALA | 0 | 0.015 | 0.003 | 31.609 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 468 | PHE | 0 | 0.021 | 0.014 | 34.159 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 469 | VAL | 0 | -0.030 | -0.029 | 34.994 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 470 | ASP | -1 | -0.882 | -0.927 | 37.807 | -7.367 | -7.367 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 471 | ILE | 0 | -0.043 | -0.036 | 37.023 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 472 | ASN | 0 | 0.054 | 0.038 | 41.184 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 473 | PRO | 0 | 0.040 | 0.009 | 41.449 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 474 | HIS | 1 | 0.844 | 0.926 | 42.779 | 6.725 | 6.725 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 475 | GLN | 0 | -0.008 | 0.003 | 43.158 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 476 | PRO | 0 | -0.021 | -0.023 | 39.055 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 477 | LEU | 0 | 0.023 | 0.030 | 36.142 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 478 | SER | 0 | -0.063 | -0.025 | 33.676 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 479 | LEU | 0 | 0.020 | 0.002 | 27.878 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 480 | ARG | 1 | 0.817 | 0.894 | 25.726 | 11.824 | 11.824 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 481 | ALA | 0 | -0.004 | -0.002 | 23.030 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 482 | LEU | 0 | -0.013 | 0.003 | 20.975 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 483 | ILE | 0 | -0.012 | 0.000 | 16.225 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 484 | ASP | -1 | -0.700 | -0.846 | 13.890 | -22.095 | -22.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 485 | HIS | 1 | 0.832 | 0.906 | 8.388 | 30.018 | 30.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 486 | SER | 0 | 0.001 | 0.000 | 11.664 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 487 | VAL | 0 | -0.027 | 0.006 | 13.346 | 1.249 | 1.249 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 488 | VAL | 0 | 0.004 | 0.009 | 16.902 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 489 | GLU | -1 | -0.749 | -0.843 | 19.813 | -13.419 | -13.419 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 490 | SER | 0 | 0.001 | -0.001 | 22.981 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 491 | PHE | 0 | 0.017 | -0.004 | 25.263 | 0.375 | 0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 492 | GLY | 0 | 0.049 | 0.018 | 29.322 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 493 | GLY | 0 | 0.026 | -0.003 | 32.236 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 494 | LYS | 1 | 0.849 | 0.919 | 33.861 | 9.128 | 9.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 495 | GLY | 0 | 0.096 | 0.050 | 32.462 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 496 | ARG | 1 | 0.855 | 0.948 | 33.507 | 8.265 | 8.265 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 497 | ALA | 0 | 0.052 | 0.038 | 33.122 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 498 | CYS | 0 | -0.032 | -0.003 | 28.933 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 499 | ILE | 0 | 0.010 | -0.008 | 26.067 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 500 | THR | 0 | -0.021 | -0.036 | 22.051 | -0.482 | -0.482 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 501 | SER | 0 | -0.031 | -0.013 | 21.484 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 502 | ARG | 1 | 0.794 | 0.854 | 14.301 | 19.279 | 19.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 503 | VAL | 0 | 0.001 | 0.006 | 14.971 | 0.501 | 0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 504 | TYR | 0 | 0.043 | -0.015 | 11.119 | -1.057 | -1.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 505 | PRO | 0 | 0.002 | 0.042 | 11.360 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 506 | LYS | 1 | 0.894 | 0.935 | 8.672 | 27.038 | 27.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 507 | LEU | 0 | -0.017 | -0.004 | 10.002 | -1.776 | -1.776 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 508 | ALA | 0 | -0.017 | -0.002 | 11.948 | -0.858 | -0.858 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 509 | ILE | 0 | -0.012 | -0.008 | 6.055 | -1.024 | -1.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 510 | GLY | 0 | 0.009 | -0.011 | 8.791 | -0.451 | -0.451 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 511 | LYS | 1 | 0.941 | 0.961 | 8.921 | 33.279 | 33.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 512 | SER | 0 | 0.031 | 0.030 | 11.014 | 1.872 | 1.872 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 513 | SER | 0 | -0.064 | -0.022 | 12.602 | 1.425 | 1.425 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 514 | HIS | 0 | 0.012 | 0.007 | 14.212 | 0.973 | 0.973 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 515 | LEU | 0 | 0.003 | 0.003 | 17.976 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 516 | PHE | 0 | 0.007 | -0.005 | 20.798 | 0.532 | 0.532 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 517 | ALA | 0 | 0.011 | 0.021 | 24.476 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 518 | PHE | 0 | -0.036 | -0.032 | 27.366 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 519 | ASN | 0 | -0.021 | -0.039 | 29.894 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 520 | TYR | 0 | -0.016 | -0.008 | 27.256 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 521 | GLY | 0 | 0.033 | 0.037 | 33.945 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 522 | TYR | 0 | -0.002 | 0.010 | 37.278 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 523 | GLN | 0 | -0.010 | -0.010 | 40.742 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 524 | SER | 0 | -0.005 | 0.005 | 39.013 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 525 | VAL | 0 | -0.037 | -0.018 | 35.470 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 526 | ASP | -1 | -0.768 | -0.865 | 37.329 | -7.928 | -7.928 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 527 | VAL | 0 | -0.008 | -0.002 | 32.093 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 528 | LEU | 0 | 0.011 | 0.008 | 35.432 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 529 | ASN | 0 | -0.010 | -0.022 | 32.783 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 530 | LEU | 0 | -0.004 | 0.007 | 26.651 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 531 | ASN | 0 | 0.005 | 0.025 | 28.694 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 532 | ALA | 0 | 0.037 | 0.014 | 23.183 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 533 | TRP | 0 | 0.012 | -0.001 | 23.381 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 534 | SER | 0 | 0.063 | 0.024 | 18.692 | -0.388 | -0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 535 | MET | 0 | -0.045 | 0.021 | 17.931 | 0.899 | 0.899 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 536 | ASN | 0 | -0.044 | -0.038 | 16.679 | -1.459 | -1.459 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 537 | SER | 0 | 0.033 | 0.001 | 12.073 | 0.379 | 0.379 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 538 | ALA | 0 | -0.016 | 0.015 | 15.054 | 0.829 | 0.829 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 539 | GLN | 0 | 0.000 | 0.014 | 13.818 | -1.671 | -1.671 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 540 | ILE | 0 | -0.056 | -0.040 | 14.382 | 1.281 | 1.281 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 541 | SER | -1 | -0.901 | -0.950 | 13.897 | -19.410 | -19.410 | 0.000 | 0.000 | 0.000 | 0.000 |