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: GRMG1
Calculation Name: 1E8G-A-Xray547
Preferred Name:
Target Type:
Ligand Name: flavin-adenine dinucleotide | alpha,alpha,alpha-trifluoro-p-cresol
Ligand 3-letter code: FAD | FCR
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 1E8G
Chain ID: A
UniProt ID: P56216
Base Structure: X-ray
Registration Date: 2025-10-05
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 | 555 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -12163929.845222 |
|---|---|
| FMO2-HF: Nuclear repulsion | 11944276.570136 |
| FMO2-HF: Total energy | -219653.275086 |
| FMO2-MP2: Total energy | -220290.554481 |
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:6:GLU)
Summations of interaction energy for
fragment #1(A:6:GLU)
| 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. |
| -37.46 | -26.581 | 5.501 | -6.102 | -10.275 | -0.009 |
Interaction energy analysis for fragmet #1(A:6:GLU)
| 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 | 8 | ARG | 1 | 0.968 | 0.993 | 2.754 | -5.162 | -2.391 | 0.054 | -1.122 | -1.703 | -0.002 |
| 4 | A | 9 | PRO | 0 | 0.033 | 0.046 | 4.660 | 7.392 | 7.709 | -0.001 | -0.013 | -0.303 | 0.000 |
| 16 | A | 21 | PHE | 0 | -0.002 | -0.005 | 4.543 | -0.862 | -0.664 | -0.001 | -0.032 | -0.165 | 0.000 |
| 17 | A | 22 | ASN | 0 | -0.064 | -0.060 | 4.853 | -8.082 | -8.158 | -0.001 | -0.014 | 0.091 | 0.000 |
| 20 | A | 25 | ILE | 0 | -0.005 | -0.013 | 2.612 | -3.473 | -2.641 | 0.585 | -0.534 | -0.883 | -0.007 |
| 21 | A | 26 | GLN | 0 | -0.019 | -0.013 | 3.628 | -2.192 | -1.611 | 0.005 | -0.253 | -0.332 | -0.002 |
| 24 | A | 29 | ILE | 0 | -0.025 | -0.012 | 2.756 | -0.988 | -0.384 | 0.248 | -0.314 | -0.538 | -0.004 |
| 32 | A | 37 | VAL | 0 | 0.008 | 0.008 | 4.272 | -0.443 | -0.396 | -0.001 | -0.008 | -0.037 | 0.000 |
| 33 | A | 38 | GLU | -1 | -0.854 | -0.894 | 4.742 | 10.636 | 10.956 | -0.001 | -0.012 | -0.307 | 0.000 |
| 34 | A | 39 | VAL | 0 | -0.056 | -0.031 | 2.127 | -12.327 | -9.687 | 4.265 | -2.791 | -4.114 | 0.000 |
| 35 | A | 40 | ILE | 0 | -0.023 | 0.008 | 3.434 | 12.386 | 13.473 | 0.131 | -0.355 | -0.862 | 0.000 |
| 36 | A | 41 | SER | 0 | 0.051 | 0.006 | 2.985 | -5.882 | -4.606 | 0.220 | -0.552 | -0.944 | 0.005 |
| 37 | A | 42 | SER | 0 | -0.024 | -0.015 | 4.969 | -4.120 | -4.088 | -0.001 | -0.001 | -0.029 | 0.000 |
| 38 | A | 43 | LYS | 1 | 0.781 | 0.877 | 4.074 | -29.071 | -28.821 | -0.001 | -0.101 | -0.149 | 0.001 |
| 5 | A | 10 | LEU | 0 | -0.014 | -0.002 | 6.358 | -1.249 | -1.249 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 11 | THR | 0 | -0.027 | -0.019 | 9.036 | -1.170 | -1.170 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 12 | LEU | 0 | 0.007 | 0.007 | 9.559 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 13 | PRO | 0 | 0.001 | 0.015 | 11.577 | 0.464 | 0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 14 | PRO | 0 | 0.013 | -0.016 | 14.604 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 15 | LYS | 1 | 0.881 | 0.936 | 17.904 | 0.670 | 0.670 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 16 | LEU | 0 | 0.017 | 0.048 | 11.012 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 17 | SER | 0 | -0.020 | -0.033 | 13.938 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 18 | LEU | 0 | 0.042 | -0.001 | 7.550 | -0.549 | -0.549 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 19 | SER | 0 | 0.012 | 0.012 | 9.117 | -1.857 | -1.857 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 20 | ASP | -1 | -0.810 | -0.875 | 9.721 | -5.257 | -5.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 23 | GLU | -1 | -0.901 | -0.948 | 5.939 | -8.343 | -8.343 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 24 | PHE | 0 | 0.044 | 0.021 | 7.910 | -0.890 | -0.890 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 27 | ASP | -1 | -0.890 | -0.944 | 5.901 | -5.253 | -5.253 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 28 | ILE | 0 | -0.004 | -0.004 | 7.535 | 1.300 | 1.300 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 30 | ARG | 1 | 0.847 | 0.925 | 7.305 | 10.346 | 10.346 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 31 | ILE | 0 | -0.041 | 0.006 | 10.581 | 1.204 | 1.204 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 32 | VAL | 0 | -0.034 | -0.027 | 9.709 | 0.853 | 0.853 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 33 | GLY | 0 | 0.029 | 0.027 | 9.633 | 1.175 | 1.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 34 | SER | 0 | 0.007 | -0.043 | 5.953 | -1.113 | -1.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 35 | GLU | -1 | -0.898 | -0.921 | 6.883 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 36 | ASN | 0 | -0.065 | -0.038 | 8.997 | 2.081 | 2.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 44 | ASP | -1 | -0.747 | -0.897 | 6.334 | 14.715 | 14.715 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 45 | GLN | 0 | -0.022 | -0.018 | 9.464 | -1.016 | -1.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 46 | ILE | 0 | 0.008 | -0.001 | 12.484 | -0.822 | -0.822 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 47 | VAL | 0 | -0.024 | 0.002 | 11.439 | -0.590 | -0.590 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 48 | ASP | -1 | -0.807 | -0.900 | 14.311 | 2.777 | 2.777 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 49 | GLY | 0 | -0.001 | 0.010 | 17.323 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 50 | SER | 0 | -0.014 | -0.011 | 18.054 | -0.296 | -0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 51 | TYR | 0 | 0.110 | 0.045 | 21.155 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 52 | MET | 0 | 0.011 | 0.005 | 23.230 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 53 | LYS | 1 | 0.933 | 0.957 | 17.518 | -1.770 | -1.770 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 54 | PRO | 0 | 0.022 | 0.027 | 18.552 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 55 | THR | 0 | -0.022 | -0.006 | 14.047 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 56 | HIS | 0 | -0.004 | -0.031 | 12.915 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 57 | THR | 0 | 0.034 | 0.035 | 9.663 | -0.777 | -0.777 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 58 | HIS | 1 | 0.881 | 0.920 | 12.047 | -4.029 | -4.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 59 | ASP | -1 | -0.734 | -0.855 | 15.066 | 1.450 | 1.450 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 60 | PRO | 0 | -0.005 | 0.007 | 18.549 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 61 | THR | 0 | -0.119 | -0.063 | 19.583 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 62 | HIS | 0 | 0.021 | 0.012 | 19.508 | -0.328 | -0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 63 | VAL | 0 | 0.047 | 0.016 | 22.530 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 64 | MET | 0 | -0.048 | -0.006 | 22.626 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 65 | ASP | -1 | -0.932 | -0.973 | 21.656 | 1.811 | 1.811 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 66 | GLN | 0 | -0.030 | -0.019 | 16.399 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 67 | ASP | -1 | -0.792 | -0.893 | 14.840 | 3.137 | 3.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 68 | TYR | 0 | -0.011 | 0.024 | 16.554 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 69 | PHE | 0 | -0.052 | -0.027 | 17.590 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 70 | LEU | 0 | 0.005 | 0.015 | 10.612 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 71 | ALA | 0 | 0.007 | 0.000 | 10.813 | -0.521 | -0.521 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 72 | SER | 0 | -0.036 | -0.027 | 8.929 | 0.653 | 0.653 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 73 | ALA | 0 | 0.003 | -0.014 | 6.392 | 1.145 | 1.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 74 | ILE | 0 | -0.002 | 0.010 | 7.550 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 75 | VAL | 0 | -0.011 | -0.008 | 8.011 | -1.270 | -1.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 76 | ALA | 0 | 0.007 | 0.006 | 10.256 | 0.713 | 0.713 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 77 | PRO | 0 | -0.019 | -0.003 | 13.114 | -0.414 | -0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 78 | ARG | 1 | 0.830 | 0.867 | 14.677 | 3.312 | 3.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 79 | ASN | 0 | -0.033 | -0.011 | 17.295 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 80 | VAL | 0 | 0.090 | 0.027 | 19.043 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 81 | ALA | 0 | 0.047 | 0.032 | 20.537 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 82 | ASP | -1 | -0.725 | -0.814 | 15.109 | -2.988 | -2.988 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 83 | VAL | 0 | 0.007 | 0.004 | 15.952 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 84 | GLN | 0 | -0.024 | -0.022 | 17.629 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 85 | SER | 0 | -0.024 | -0.016 | 15.901 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 86 | ILE | 0 | -0.022 | -0.014 | 12.010 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 87 | VAL | 0 | 0.011 | 0.014 | 14.456 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 88 | GLY | 0 | 0.019 | 0.019 | 17.585 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 89 | LEU | 0 | -0.035 | -0.020 | 11.441 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 90 | ALA | 0 | 0.008 | -0.001 | 14.780 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 91 | ASN | 0 | -0.022 | -0.018 | 15.564 | 0.342 | 0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 92 | LYS | 1 | 0.858 | 0.953 | 14.510 | 4.472 | 4.472 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 93 | PHE | 0 | -0.023 | -0.030 | 12.277 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 94 | SER | 0 | -0.015 | 0.003 | 15.647 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 95 | PHE | 0 | -0.020 | -0.011 | 9.417 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 96 | PRO | 0 | -0.025 | -0.007 | 14.780 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 97 | LEU | 0 | 0.001 | 0.000 | 13.534 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 98 | TRP | 0 | 0.037 | 0.017 | 15.641 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 99 | PRO | 0 | -0.016 | 0.004 | 16.797 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 100 | ILE | 0 | -0.017 | -0.002 | 16.319 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 101 | SER | 0 | -0.032 | -0.021 | 19.592 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 102 | ILE | 0 | 0.059 | 0.015 | 20.821 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 103 | GLY | 0 | 0.006 | 0.016 | 19.449 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 104 | ARG | 1 | 0.804 | 0.892 | 20.378 | -0.907 | -0.907 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 105 | ASN | 0 | 0.000 | 0.004 | 22.924 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 106 | SER | 0 | -0.004 | -0.009 | 24.533 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 107 | GLY | 0 | 0.042 | 0.033 | 25.429 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 108 | TYR | 0 | -0.044 | -0.046 | 26.650 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 109 | GLY | 0 | 0.044 | 0.022 | 23.035 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 110 | GLY | 0 | -0.068 | -0.028 | 20.868 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 111 | ALA | 0 | 0.009 | -0.009 | 16.929 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 112 | ALA | 0 | -0.033 | 0.011 | 16.713 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 113 | PRO | 0 | 0.020 | 0.002 | 14.988 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 114 | ARG | 1 | 0.812 | 0.898 | 18.223 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 115 | VAL | 0 | -0.018 | 0.003 | 17.881 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 116 | SER | 0 | 0.015 | -0.016 | 15.192 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 117 | GLY | 0 | 0.032 | 0.009 | 12.319 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 118 | SER | 0 | -0.041 | -0.023 | 12.367 | -0.841 | -0.841 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 119 | VAL | 0 | -0.024 | 0.000 | 9.613 | 0.382 | 0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 120 | VAL | 0 | 0.003 | 0.002 | 11.738 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 121 | LEU | 0 | -0.013 | -0.016 | 12.570 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 122 | ASP | -1 | -0.831 | -0.927 | 13.990 | 0.818 | 0.818 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 123 | MET | 0 | -0.001 | -0.014 | 15.820 | -0.334 | -0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 124 | GLY | 0 | 0.024 | 0.014 | 18.516 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 125 | LYS | 1 | 0.815 | 0.913 | 12.722 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 126 | ASN | 0 | -0.071 | -0.041 | 14.860 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 127 | MET | 0 | -0.019 | 0.009 | 19.311 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 128 | ASN | 0 | 0.036 | 0.009 | 21.787 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 129 | ARG | 1 | 0.830 | 0.891 | 24.191 | 0.740 | 0.740 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 130 | VAL | 0 | 0.023 | 0.011 | 27.643 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 131 | LEU | 0 | -0.074 | -0.043 | 28.567 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 132 | GLU | -1 | -0.812 | -0.889 | 32.228 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 133 | VAL | 0 | -0.009 | -0.012 | 35.979 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 134 | ASN | 0 | -0.047 | -0.009 | 38.615 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 135 | VAL | 0 | 0.013 | -0.010 | 41.817 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 136 | GLU | -1 | -0.961 | -0.977 | 45.151 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 137 | GLY | 0 | -0.003 | -0.010 | 44.424 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 138 | ALA | 0 | -0.010 | 0.003 | 44.096 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 139 | TYR | 0 | -0.068 | -0.040 | 38.234 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 140 | CYS | 0 | -0.045 | -0.006 | 35.645 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 141 | VAL | 0 | 0.019 | -0.003 | 32.055 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 142 | VAL | 0 | -0.002 | 0.005 | 29.047 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 143 | GLU | -1 | -0.759 | -0.844 | 24.799 | -0.679 | -0.679 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 144 | PRO | 0 | -0.018 | -0.023 | 22.257 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 145 | GLY | 0 | 0.066 | 0.046 | 22.961 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 146 | VAL | 0 | -0.051 | 0.003 | 23.640 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 147 | THR | 0 | -0.056 | -0.052 | 25.835 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 148 | TYR | 0 | 0.033 | -0.005 | 28.427 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 149 | HIS | 0 | 0.062 | 0.048 | 30.100 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 150 | ASP | -1 | -0.837 | -0.882 | 27.208 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 151 | LEU | 0 | 0.008 | -0.004 | 30.578 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 152 | HIS | 0 | -0.011 | -0.004 | 33.528 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 153 | ASN | 0 | 0.010 | -0.013 | 31.226 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 154 | TYR | 0 | 0.003 | 0.006 | 33.355 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 155 | LEU | 0 | 0.003 | 0.001 | 35.504 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 156 | GLU | -1 | -0.819 | -0.901 | 38.088 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 157 | ALA | 0 | -0.032 | -0.014 | 36.808 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 158 | ASN | 0 | -0.079 | -0.039 | 37.033 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 159 | ASN | 0 | -0.031 | -0.010 | 40.947 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 160 | LEU | 0 | -0.018 | -0.021 | 39.993 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 161 | ARG | 1 | 0.908 | 0.959 | 41.711 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 162 | ASP | -1 | -0.894 | -0.945 | 43.413 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 163 | LYS | 1 | 0.874 | 0.938 | 45.909 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 164 | LEU | 0 | -0.020 | -0.009 | 42.175 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 165 | TRP | 0 | 0.010 | 0.003 | 42.367 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 166 | LEU | 0 | 0.009 | 0.000 | 35.791 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 167 | ASP | -1 | -0.710 | -0.809 | 38.474 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 168 | VAL | 0 | -0.011 | 0.003 | 35.579 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 169 | PRO | 0 | -0.006 | -0.002 | 32.418 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 170 | ASP | -1 | -0.781 | -0.879 | 34.858 | 0.449 | 0.449 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 171 | LEU | 0 | -0.037 | -0.009 | 29.505 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 172 | GLY | 0 | 0.037 | 0.009 | 31.303 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 173 | GLY | 0 | 0.021 | 0.018 | 27.304 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 174 | GLY | 0 | 0.006 | 0.001 | 26.219 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 175 | SER | 0 | -0.004 | -0.021 | 25.054 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 176 | VAL | 0 | 0.028 | 0.011 | 27.140 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 177 | LEU | 0 | 0.021 | 0.017 | 26.014 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 178 | GLY | 0 | 0.031 | 0.001 | 26.146 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 179 | ASN | 0 | -0.024 | -0.007 | 26.922 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 180 | ALA | 0 | 0.047 | 0.031 | 30.132 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 181 | VAL | 0 | 0.013 | 0.002 | 26.972 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 182 | GLU | -1 | -0.788 | -0.876 | 27.686 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 183 | ARG | 1 | 0.861 | 0.938 | 30.384 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 184 | GLY | 0 | -0.019 | 0.001 | 33.179 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 185 | VAL | 0 | -0.018 | -0.013 | 34.228 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 186 | GLY | 0 | -0.013 | -0.015 | 36.426 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 187 | TYR | 0 | -0.044 | -0.034 | 37.659 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 188 | THR | 0 | 0.008 | -0.020 | 41.952 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 189 | PRO | 0 | -0.019 | -0.031 | 44.303 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 190 | TYR | 0 | -0.020 | -0.008 | 41.519 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 191 | GLY | 0 | 0.010 | 0.018 | 40.697 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 192 | ASP | -1 | -0.866 | -0.945 | 39.501 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 193 | HIS | 1 | 0.820 | 0.869 | 34.607 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 194 | TRP | 0 | 0.012 | 0.020 | 32.754 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 195 | MET | 0 | -0.032 | -0.020 | 36.888 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 196 | MET | 0 | -0.039 | 0.007 | 39.178 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 197 | HIS | 1 | 0.808 | 0.894 | 35.290 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 198 | SER | 0 | 0.020 | 0.000 | 37.363 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 199 | GLY | 0 | 0.010 | 0.038 | 36.066 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 200 | MET | 0 | -0.045 | -0.026 | 29.948 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 201 | GLU | -1 | -0.774 | -0.849 | 27.007 | -0.814 | -0.814 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 202 | VAL | 0 | 0.005 | 0.002 | 26.383 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 203 | VAL | 0 | 0.010 | 0.018 | 21.269 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 204 | LEU | 0 | 0.031 | 0.009 | 24.057 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 205 | ALA | 0 | 0.038 | 0.013 | 22.642 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 206 | ASN | 0 | 0.006 | -0.006 | 22.466 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 207 | GLY | 0 | 0.020 | 0.012 | 22.144 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 208 | GLU | -1 | -0.915 | -0.938 | 22.891 | -1.082 | -1.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 209 | LEU | 0 | -0.024 | -0.018 | 25.498 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 210 | LEU | 0 | -0.011 | 0.006 | 27.578 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 211 | ARG | 1 | 0.819 | 0.896 | 30.143 | 0.653 | 0.653 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 212 | THR | 0 | -0.021 | -0.029 | 32.733 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 213 | GLY | 0 | 0.096 | 0.049 | 35.257 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 214 | MET | 0 | -0.045 | -0.022 | 39.026 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 215 | GLY | 0 | -0.021 | -0.020 | 36.508 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 216 | ALA | 0 | -0.028 | 0.000 | 36.602 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 217 | LEU | 0 | -0.031 | 0.001 | 37.792 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 218 | PRO | 0 | 0.018 | 0.016 | 38.376 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 219 | ASP | -1 | -0.790 | -0.899 | 38.864 | -0.364 | -0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 220 | PRO | 0 | -0.053 | -0.027 | 40.684 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 221 | LYS | 1 | 0.948 | 0.973 | 39.825 | 0.582 | 0.582 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 222 | ARG | 1 | 0.896 | 0.949 | 40.364 | 0.431 | 0.431 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 223 | PRO | 0 | 0.034 | 0.014 | 41.264 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 224 | GLU | -1 | -0.859 | -0.942 | 39.879 | -0.439 | -0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 225 | THR | 0 | -0.065 | -0.043 | 36.996 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 226 | MET | 0 | -0.040 | -0.018 | 36.557 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 227 | GLY | 0 | -0.009 | -0.007 | 34.302 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 228 | LEU | 0 | -0.002 | 0.022 | 31.604 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 229 | LYS | 1 | 0.907 | 0.955 | 23.175 | 1.542 | 1.542 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 230 | PRO | 0 | 0.021 | 0.002 | 28.154 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 231 | GLU | -1 | -0.787 | -0.895 | 24.460 | -1.290 | -1.290 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 232 | ASP | -1 | -0.923 | -0.971 | 27.045 | -0.923 | -0.923 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 233 | GLN | 0 | -0.093 | -0.037 | 29.515 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 234 | PRO | 0 | 0.021 | 0.015 | 32.964 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 235 | TRP | 0 | 0.033 | 0.003 | 31.680 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 236 | SER | 0 | -0.004 | -0.004 | 37.236 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 237 | LYS | 1 | 0.987 | 0.970 | 40.929 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 238 | ILE | 0 | 0.040 | 0.023 | 43.252 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 239 | ALA | 0 | 0.000 | 0.012 | 37.957 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 240 | HIS | 1 | 0.818 | 0.906 | 35.030 | 0.303 | 0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 241 | LEU | 0 | 0.028 | 0.037 | 39.947 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 242 | PHE | 0 | 0.010 | -0.001 | 43.002 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 243 | PRO | 0 | 0.036 | 0.023 | 40.453 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 244 | TYR | 0 | -0.042 | -0.028 | 40.350 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 245 | GLY | 0 | -0.005 | 0.005 | 41.791 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 246 | PHE | 0 | 0.012 | -0.018 | 42.697 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 247 | GLY | 0 | 0.009 | 0.023 | 42.882 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 248 | PRO | 0 | -0.006 | -0.018 | 40.275 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 249 | TYR | 0 | 0.055 | 0.030 | 39.227 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 250 | ILE | 0 | 0.024 | 0.000 | 34.226 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 251 | ASP | -1 | -0.773 | -0.850 | 34.513 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 252 | GLY | 0 | 0.013 | 0.012 | 34.027 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 253 | LEU | 0 | 0.023 | 0.017 | 32.874 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 254 | PHE | 0 | -0.017 | 0.010 | 28.621 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 255 | SER | 0 | -0.011 | 0.001 | 30.005 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 256 | GLN | 0 | -0.096 | -0.070 | 29.359 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 257 | SER | 0 | -0.017 | -0.022 | 28.869 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 258 | ASN | 0 | -0.037 | -0.036 | 24.309 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 259 | MET | 0 | 0.002 | 0.011 | 25.380 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 260 | GLY | 0 | -0.002 | 0.002 | 24.536 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 261 | ILE | 0 | -0.018 | -0.004 | 18.642 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 262 | VAL | 0 | -0.011 | -0.004 | 22.921 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 263 | THR | 0 | -0.039 | -0.051 | 22.508 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 264 | LYS | 1 | 0.794 | 0.888 | 24.806 | 0.780 | 0.780 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 265 | ILE | 0 | -0.041 | -0.018 | 28.256 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 266 | GLY | 0 | 0.040 | 0.034 | 31.437 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 267 | ILE | 0 | -0.035 | -0.029 | 33.737 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 268 | TRP | 0 | -0.006 | -0.011 | 36.800 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 269 | LEU | 0 | -0.029 | -0.026 | 37.653 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 270 | MET | 0 | 0.024 | 0.018 | 41.520 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 271 | PRO | 0 | 0.010 | -0.004 | 44.781 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 272 | ASN | 0 | -0.020 | -0.009 | 47.545 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 273 | PRO | 0 | -0.008 | 0.001 | 48.711 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 274 | GLY | 0 | -0.014 | -0.004 | 51.639 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 275 | GLY | 0 | -0.035 | -0.026 | 52.823 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 276 | TYR | 0 | -0.042 | -0.039 | 46.251 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 277 | GLN | 0 | -0.042 | -0.016 | 51.835 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 278 | SER | 0 | -0.021 | -0.028 | 48.158 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 279 | TYR | 0 | 0.015 | 0.001 | 50.158 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 280 | LEU | 0 | -0.021 | -0.004 | 48.946 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 281 | ILE | 0 | -0.025 | -0.003 | 51.354 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 282 | THR | 0 | -0.035 | -0.014 | 51.701 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 283 | LEU | 0 | 0.023 | 0.001 | 51.848 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 284 | PRO | 0 | 0.030 | 0.011 | 53.709 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 285 | LYS | 1 | 0.922 | 0.957 | 55.314 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 286 | ASP | -1 | -0.749 | -0.851 | 50.386 | 0.336 | 0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 287 | GLY | 0 | 0.041 | 0.009 | 52.411 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 288 | ASP | -1 | -0.812 | -0.906 | 55.053 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 289 | LEU | 0 | -0.022 | 0.000 | 49.112 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 290 | LYS | 1 | 0.848 | 0.916 | 52.873 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 291 | GLN | 0 | 0.009 | -0.018 | 55.599 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 292 | ALA | 0 | 0.052 | 0.024 | 53.647 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 293 | VAL | 0 | 0.012 | 0.004 | 50.766 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 294 | ASP | -1 | -0.808 | -0.895 | 53.560 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 295 | ILE | 0 | -0.035 | -0.006 | 57.007 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 296 | ILE | 0 | 0.000 | 0.001 | 50.918 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 297 | ARG | 1 | 0.976 | 0.990 | 54.244 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 298 | PRO | 0 | -0.061 | -0.028 | 55.211 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 299 | LEU | 0 | 0.035 | 0.019 | 56.031 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 300 | ARG | 1 | 0.799 | 0.920 | 46.921 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 301 | LEU | 0 | -0.038 | -0.029 | 53.614 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 302 | GLY | 0 | -0.014 | -0.006 | 55.459 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 303 | MET | 0 | -0.082 | -0.035 | 53.234 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 304 | ALA | 0 | 0.060 | 0.035 | 55.198 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 305 | LEU | 0 | -0.060 | -0.028 | 51.495 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 306 | GLN | 0 | 0.020 | 0.006 | 51.247 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 307 | ASN | 0 | -0.002 | -0.006 | 45.959 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 308 | VAL | 0 | -0.039 | -0.007 | 42.506 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 309 | PRO | 0 | 0.005 | 0.017 | 44.645 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 310 | THR | 0 | -0.032 | -0.034 | 41.989 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 311 | ILE | 0 | -0.012 | -0.001 | 45.226 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 312 | ARG | 1 | 0.791 | 0.874 | 39.254 | -0.456 | -0.456 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 313 | HIS | 0 | 0.073 | 0.042 | 43.289 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 314 | ILE | 0 | 0.003 | 0.011 | 43.965 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 315 | LEU | 0 | 0.015 | -0.005 | 41.541 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 316 | LEU | 0 | -0.025 | -0.001 | 37.410 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 317 | ASP | -1 | -0.736 | -0.858 | 40.029 | 0.451 | 0.451 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 318 | ALA | 0 | -0.008 | 0.001 | 42.367 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 319 | ALA | 0 | 0.002 | 0.013 | 37.460 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 320 | VAL | 0 | -0.061 | -0.025 | 37.174 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 321 | LEU | 0 | -0.056 | -0.026 | 38.402 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 322 | GLY | 0 | -0.005 | 0.008 | 39.107 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 323 | ASP | -1 | -0.844 | -0.921 | 36.165 | 0.829 | 0.829 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 324 | LYS | 1 | 0.801 | 0.902 | 37.820 | -0.704 | -0.704 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 325 | ARG | 1 | 0.899 | 0.945 | 36.153 | -0.917 | -0.917 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 326 | SER | 0 | -0.064 | -0.033 | 40.652 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 327 | TYR | 0 | -0.038 | -0.023 | 41.756 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 328 | SER | 0 | -0.044 | -0.041 | 43.791 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 329 | SER | 0 | -0.035 | -0.012 | 42.816 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 330 | ARG | 1 | 0.821 | 0.913 | 43.370 | -0.486 | -0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 331 | THR | 0 | 0.002 | -0.007 | 38.687 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 332 | GLU | -1 | -0.862 | -0.944 | 40.360 | 0.624 | 0.624 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 333 | PRO | 0 | -0.004 | 0.021 | 41.692 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 334 | LEU | 0 | -0.041 | -0.016 | 43.298 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 335 | SER | 0 | -0.041 | -0.038 | 45.788 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 336 | ASP | -1 | -0.789 | -0.880 | 49.424 | 0.360 | 0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 337 | GLU | -1 | -0.834 | -0.936 | 51.174 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 338 | GLU | -1 | -0.852 | -0.922 | 48.200 | 0.491 | 0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 339 | LEU | 0 | 0.010 | 0.014 | 45.983 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 340 | ASP | -1 | -0.826 | -0.899 | 49.340 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 341 | LYS | 1 | 0.783 | 0.900 | 50.959 | -0.433 | -0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 342 | ILE | 0 | 0.053 | 0.027 | 45.263 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 343 | ALA | 0 | 0.027 | 0.016 | 49.114 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 344 | LYS | 1 | 0.936 | 0.970 | 50.951 | -0.361 | -0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 345 | GLN | 0 | -0.064 | -0.038 | 48.566 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 346 | LEU | 0 | -0.006 | 0.007 | 45.741 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 347 | ASN | 0 | -0.083 | -0.036 | 49.997 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 348 | LEU | 0 | -0.031 | 0.004 | 46.938 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 349 | GLY | 0 | 0.005 | 0.004 | 51.336 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 350 | ARG | 1 | 0.734 | 0.815 | 50.077 | -0.332 | -0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 351 | TRP | 0 | -0.033 | -0.016 | 45.310 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 352 | ASN | 0 | 0.010 | -0.001 | 46.947 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 353 | PHE | 0 | 0.034 | 0.005 | 47.590 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 354 | TYR | 0 | 0.004 | -0.027 | 45.801 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 355 | GLY | 0 | 0.026 | -0.005 | 47.498 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 356 | ALA | 0 | -0.007 | -0.004 | 48.416 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 357 | LEU | 0 | -0.037 | 0.004 | 50.248 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 358 | TYR | 0 | -0.035 | -0.062 | 46.165 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 359 | GLY | 0 | 0.060 | 0.035 | 52.644 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 360 | PRO | 0 | 0.046 | 0.020 | 55.209 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 361 | GLU | -1 | -0.898 | -0.957 | 58.443 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 362 | PRO | 0 | 0.033 | 0.009 | 60.037 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 363 | ILE | 0 | 0.002 | 0.007 | 58.372 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 364 | ARG | 1 | 0.887 | 0.947 | 54.369 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 365 | ARG | 1 | 0.910 | 0.969 | 58.305 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 366 | VAL | 0 | 0.048 | 0.030 | 61.568 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 367 | LEU | 0 | -0.005 | 0.009 | 56.628 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 368 | TRP | 0 | 0.036 | 0.009 | 55.652 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 369 | GLU | -1 | -0.909 | -0.959 | 59.516 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 370 | THR | 0 | -0.016 | -0.019 | 61.207 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 371 | ILE | 0 | -0.050 | -0.026 | 55.468 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 372 | LYS | 1 | 0.934 | 0.964 | 59.327 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 373 | ASP | -1 | -0.918 | -0.932 | 61.206 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 374 | ALA | 0 | -0.002 | 0.001 | 60.428 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 375 | PHE | 0 | -0.005 | -0.029 | 54.010 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 376 | SER | 0 | -0.042 | -0.036 | 59.934 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 377 | ALA | 0 | -0.027 | 0.003 | 62.747 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 378 | ILE | 0 | -0.018 | 0.007 | 57.295 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 379 | PRO | 0 | 0.000 | 0.000 | 61.357 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 380 | GLY | 0 | -0.008 | -0.021 | 61.017 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 381 | VAL | 0 | -0.030 | 0.002 | 57.322 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 382 | LYS | 1 | 0.933 | 0.976 | 56.950 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 383 | PHE | 0 | -0.010 | -0.010 | 56.123 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 384 | TYR | 0 | -0.020 | -0.004 | 53.138 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 385 | PHE | 0 | 0.020 | 0.002 | 53.019 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 386 | PRO | 0 | 0.027 | -0.001 | 48.777 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 387 | GLU | -1 | -0.890 | -0.945 | 50.673 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 388 | ASP | -1 | -0.858 | -0.920 | 53.322 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 389 | THR | 0 | -0.066 | -0.017 | 49.847 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 390 | PRO | 0 | 0.044 | 0.012 | 48.443 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 391 | GLU | -1 | -0.922 | -0.961 | 45.113 | 0.440 | 0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 392 | ASN | 0 | -0.002 | -0.009 | 43.022 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 393 | SER | 0 | -0.016 | -0.013 | 43.642 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 394 | VAL | 0 | 0.067 | 0.025 | 41.825 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 395 | LEU | 0 | 0.006 | 0.016 | 43.756 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 396 | ARG | 1 | 0.866 | 0.939 | 45.221 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 397 | VAL | 0 | -0.030 | -0.005 | 38.915 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 398 | ARG | 1 | 0.799 | 0.871 | 39.236 | -0.408 | -0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 399 | ASP | -1 | -0.812 | -0.876 | 42.994 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 400 | LYS | 1 | 0.954 | 1.001 | 40.308 | -0.450 | -0.450 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 401 | THR | 0 | 0.000 | -0.004 | 38.314 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 402 | MET | 0 | -0.052 | -0.019 | 40.544 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 403 | GLN | 0 | -0.032 | -0.004 | 43.344 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 404 | GLY | 0 | 0.009 | 0.008 | 39.905 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 405 | ILE | 0 | -0.029 | -0.012 | 38.622 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 406 | PRO | 0 | -0.028 | -0.004 | 33.786 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 407 | THR | 0 | -0.021 | -0.006 | 35.278 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 408 | TYR | 0 | -0.022 | -0.055 | 29.008 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 409 | ASP | -1 | -0.837 | -0.921 | 32.976 | 0.641 | 0.641 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 410 | GLU | -1 | -0.773 | -0.878 | 35.147 | 0.538 | 0.538 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 411 | LEU | 0 | -0.046 | -0.024 | 28.404 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 412 | LYS | 1 | 0.833 | 0.904 | 31.933 | -0.951 | -0.951 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 413 | TRP | 0 | 0.056 | 0.034 | 31.890 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 414 | ILE | 0 | -0.014 | -0.010 | 28.173 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 415 | ASP | -1 | -0.869 | -0.914 | 29.887 | 1.199 | 1.199 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 416 | TRP | 0 | -0.010 | -0.007 | 32.272 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 417 | LEU | 0 | -0.011 | -0.014 | 32.889 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 418 | PRO | 0 | -0.012 | -0.020 | 31.681 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 419 | ASN | 0 | -0.082 | -0.042 | 26.381 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 420 | GLY | 0 | 0.068 | 0.047 | 27.503 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 421 | ALA | 0 | -0.065 | -0.014 | 25.397 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 422 | HIS | 0 | -0.003 | -0.017 | 26.679 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 423 | LEU | 0 | -0.006 | 0.003 | 27.805 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 424 | PHE | 0 | -0.004 | -0.003 | 30.052 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 425 | PHE | 0 | 0.071 | 0.025 | 32.552 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 426 | SER | 0 | -0.042 | -0.013 | 34.245 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 427 | PRO | 0 | 0.064 | 0.044 | 36.770 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 428 | ILE | 0 | -0.034 | -0.009 | 40.156 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 429 | ALA | 0 | 0.023 | 0.030 | 42.813 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 430 | LYS | 1 | 0.954 | 0.965 | 46.372 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 431 | VAL | 0 | -0.010 | 0.004 | 49.507 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 432 | SER | 0 | 0.002 | -0.028 | 51.467 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 433 | GLY | 0 | 0.008 | 0.002 | 52.671 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 434 | GLU | -1 | -0.999 | -1.006 | 53.763 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 435 | ASP | -1 | -0.817 | -0.893 | 49.287 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 436 | ALA | 0 | 0.039 | 0.018 | 48.621 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 437 | MET | 0 | 0.003 | 0.006 | 48.823 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 438 | MET | 0 | -0.005 | 0.011 | 50.447 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 439 | GLN | 0 | 0.071 | 0.024 | 43.997 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 440 | TYR | 0 | -0.069 | -0.058 | 45.576 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 441 | ALA | 0 | -0.023 | -0.009 | 46.403 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 442 | VAL | 0 | 0.003 | 0.003 | 44.414 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 443 | THR | 0 | 0.011 | -0.010 | 40.883 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 444 | LYS | 1 | 0.862 | 0.941 | 42.766 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 445 | LYS | 1 | 0.927 | 0.981 | 44.635 | -0.300 | -0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 446 | ARG | 1 | 0.773 | 0.841 | 41.264 | -0.349 | -0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 447 | CYS | 0 | -0.031 | -0.020 | 40.041 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 448 | GLN | 0 | -0.008 | -0.010 | 41.009 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 449 | GLU | -1 | -0.853 | -0.922 | 43.132 | 0.404 | 0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 450 | ALA | 0 | -0.019 | -0.002 | 37.670 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 451 | GLY | 0 | -0.031 | -0.009 | 38.611 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 452 | LEU | 0 | -0.063 | -0.046 | 34.862 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 453 | ASP | -1 | -0.767 | -0.870 | 39.173 | 0.585 | 0.585 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 454 | PHE | 0 | -0.011 | -0.006 | 39.521 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 455 | ILE | 0 | 0.022 | 0.005 | 37.238 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 456 | GLY | 0 | 0.025 | 0.012 | 39.035 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 457 | THR | 0 | -0.015 | -0.012 | 39.461 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 458 | PHE | 0 | 0.022 | 0.019 | 41.642 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 459 | THR | 0 | -0.009 | -0.006 | 40.005 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 460 | VAL | 0 | 0.012 | 0.007 | 43.221 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 461 | GLY | 0 | 0.112 | 0.070 | 45.532 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 462 | MET | 0 | -0.019 | -0.026 | 46.053 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 463 | ARG | 1 | 0.929 | 0.945 | 48.505 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 464 | GLU | -1 | -0.830 | -0.897 | 43.970 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 465 | MET | 0 | -0.035 | -0.009 | 45.227 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 466 | HIS | 1 | 0.875 | 0.934 | 38.261 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 467 | HIS | 0 | -0.016 | -0.012 | 41.564 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 468 | ILE | 0 | -0.023 | -0.006 | 35.563 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 469 | VAL | 0 | 0.024 | 0.007 | 37.351 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 470 | CYS | 0 | -0.045 | -0.024 | 34.511 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 471 | ILE | 0 | 0.045 | 0.024 | 33.166 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 472 | VAL | 0 | -0.001 | -0.004 | 31.669 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 473 | PHE | 0 | -0.039 | -0.020 | 26.435 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 474 | ASN | 0 | 0.059 | 0.027 | 29.070 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 475 | LYS | 1 | 0.873 | 0.911 | 21.471 | -2.072 | -2.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 476 | LYS | 1 | 0.935 | 0.953 | 22.866 | -1.970 | -1.970 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 477 | ASP | -1 | -0.859 | -0.910 | 26.317 | 1.027 | 1.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 478 | LEU | 0 | 0.051 | 0.010 | 25.439 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 479 | ILE | 0 | -0.044 | -0.013 | 28.921 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 480 | GLN | 0 | 0.051 | 0.021 | 31.885 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 481 | LYS | 1 | 0.917 | 0.970 | 23.349 | -1.723 | -1.723 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 482 | ARG | 1 | 0.928 | 0.960 | 29.644 | -1.022 | -1.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 483 | LYS | 1 | 0.945 | 0.979 | 31.603 | -0.756 | -0.756 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 484 | VAL | 0 | 0.029 | 0.020 | 30.322 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 485 | GLN | 0 | -0.049 | -0.036 | 27.424 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 486 | TRP | 0 | -0.031 | -0.008 | 31.778 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 487 | LEU | 0 | 0.010 | 0.015 | 35.473 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 488 | MET | 0 | -0.024 | 0.000 | 31.735 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 489 | ARG | 1 | 0.847 | 0.916 | 29.510 | -0.559 | -0.559 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 490 | THR | 0 | -0.017 | -0.010 | 35.858 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 491 | LEU | 0 | -0.004 | 0.004 | 37.707 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 492 | ILE | 0 | 0.013 | 0.016 | 34.079 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 493 | ASP | -1 | -0.860 | -0.911 | 38.736 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 494 | ASP | -1 | -0.802 | -0.872 | 41.245 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 495 | CYS | 0 | -0.089 | -0.040 | 41.492 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 496 | ALA | 0 | 0.056 | 0.034 | 41.661 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 497 | ALA | 0 | -0.052 | -0.024 | 43.673 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 498 | ASN | 0 | -0.104 | -0.063 | 46.409 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 499 | GLY | 0 | -0.032 | 0.000 | 46.966 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 500 | TRP | 0 | -0.072 | -0.049 | 44.009 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 501 | GLY | 0 | 0.067 | 0.030 | 40.740 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 502 | GLU | -1 | -0.874 | -0.956 | 35.861 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 503 | TYR | 0 | -0.014 | -0.001 | 34.383 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 504 | ARG | 1 | 0.839 | 0.923 | 28.524 | -0.416 | -0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 505 | THR | 0 | 0.026 | -0.005 | 30.195 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 506 | HIS | 0 | -0.014 | -0.002 | 23.568 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 507 | LEU | 0 | -0.007 | -0.010 | 20.797 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 508 | ALA | 0 | -0.013 | -0.015 | 25.067 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 509 | PHE | 0 | 0.023 | 0.005 | 26.573 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 510 | MET | 0 | -0.011 | 0.031 | 25.915 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 511 | ASP | -1 | -0.756 | -0.862 | 28.597 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 512 | GLN | 0 | 0.026 | 0.011 | 31.632 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 513 | ILE | 0 | 0.016 | 0.006 | 33.066 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 514 | MET | 0 | -0.034 | -0.011 | 33.500 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 515 | GLU | -1 | -0.916 | -0.957 | 35.407 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 516 | THR | 0 | 0.010 | 0.011 | 37.636 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 517 | TYR | 0 | -0.087 | -0.043 | 37.432 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 518 | ASN | 0 | -0.055 | -0.035 | 40.652 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 519 | TRP | 0 | 0.029 | 0.008 | 41.961 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 520 | ASN | 0 | -0.055 | -0.035 | 44.481 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 521 | ASN | 0 | 0.004 | -0.001 | 44.543 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 522 | SER | 0 | 0.038 | 0.015 | 39.215 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 523 | SER | 0 | -0.036 | 0.002 | 39.773 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 524 | PHE | 0 | 0.061 | 0.023 | 36.872 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 525 | LEU | 0 | 0.046 | 0.031 | 32.998 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 526 | ARG | 1 | 0.823 | 0.892 | 35.464 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 527 | PHE | 0 | 0.011 | 0.006 | 36.865 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 528 | ASN | 0 | -0.008 | -0.016 | 33.183 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 529 | GLU | -1 | -0.763 | -0.869 | 31.986 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 530 | VAL | 0 | -0.039 | -0.007 | 32.411 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 531 | LEU | 0 | -0.013 | -0.007 | 33.634 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 532 | LYS | 1 | 0.802 | 0.873 | 23.939 | 0.639 | 0.639 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 533 | ASN | 0 | -0.009 | -0.023 | 28.805 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 534 | ALA | 0 | -0.025 | 0.007 | 30.115 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 535 | VAL | 0 | -0.022 | -0.011 | 27.882 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 536 | ASP | -1 | -0.792 | -0.888 | 23.384 | -1.192 | -1.192 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 537 | PRO | 0 | 0.025 | 0.015 | 26.022 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 538 | ASN | 0 | -0.035 | -0.023 | 21.432 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 539 | GLY | 0 | -0.018 | -0.011 | 22.105 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 540 | ILE | 0 | -0.033 | -0.015 | 18.228 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 541 | ILE | 0 | -0.016 | -0.007 | 18.802 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 542 | ALA | 0 | 0.025 | 0.001 | 19.886 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 543 | PRO | 0 | 0.025 | 0.022 | 19.836 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 544 | GLY | 0 | 0.062 | 0.011 | 22.887 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 545 | LYS | 1 | 0.829 | 0.907 | 24.482 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 546 | SER | 0 | -0.058 | -0.065 | 26.121 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 547 | GLY | 0 | 0.061 | 0.039 | 28.803 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 548 | VAL | 0 | -0.041 | -0.014 | 29.026 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 549 | TRP | 0 | -0.065 | -0.039 | 23.514 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 550 | PRO | 0 | -0.018 | 0.012 | 23.914 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 551 | SER | 0 | 0.009 | 0.001 | 27.102 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 552 | GLN | 0 | -0.024 | -0.012 | 23.322 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 553 | TYR | 0 | -0.026 | -0.027 | 19.808 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 554 | SER | 0 | 0.022 | 0.010 | 25.874 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 555 | HIS | 0 | 0.049 | -0.003 | 28.356 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 556 | VAL | 0 | -0.009 | -0.003 | 30.402 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 557 | THR | 0 | -0.051 | -0.022 | 24.787 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 558 | TRP | 0 | 0.024 | 0.008 | 19.758 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 559 | LYS | 1 | 0.877 | 0.971 | 26.042 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 560 | LEU | -1 | -0.877 | -0.928 | 24.642 | 0.454 | 0.454 | 0.000 | 0.000 | 0.000 | 0.000 |