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: 1VM1Z
Calculation Name: 1DAB-A-Xray549
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 1DAB
Chain ID: A
UniProt ID: P14283
Base Structure: X-ray
Registration Date: 2025-10-11
Reference: Sci Data 11, 1164 (2024).
DOI: https://doi.org/10.1038/s41597-024-03999-2
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptH |
| Protonation | MOE:Protonate 3D |
| Complement | ac.sh, 23 2024 Oct |
| Water | No |
| Procedure | Manual calculation |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 539 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -8828765.855264 |
|---|---|
| FMO2-HF: Nuclear repulsion | 8639769.383462 |
| FMO2-HF: Total energy | -188996.471801 |
| FMO2-MP2: Total energy | -189558.57514 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:1:ASP)
Summations of interaction energy for
fragment #1(A:1:ASP)
| 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. |
| -49.828 | -38.598 | 13.934 | -11.781 | -13.382 | 0.011 |
Interaction energy analysis for fragmet #1(A:1:ASP)
| frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 3 | A | 3 | ASN | 0 | 0.012 | 0.020 | 3.675 | -0.347 | 1.685 | -0.018 | -0.873 | -1.141 | -0.002 |
| 28 | A | 28 | ARG | 1 | 0.844 | 0.928 | 2.495 | -16.102 | -11.965 | 2.250 | -2.585 | -3.803 | 0.031 |
| 29 | A | 29 | THR | 0 | -0.047 | -0.033 | 2.133 | -21.043 | -17.391 | 5.412 | -4.032 | -5.032 | 0.046 |
| 30 | A | 30 | ALA | 0 | 0.034 | 0.019 | 2.004 | -27.339 | -26.088 | 6.291 | -4.275 | -3.266 | -0.064 |
| 31 | A | 31 | SER | 0 | -0.004 | -0.006 | 4.703 | 3.689 | 3.847 | -0.001 | -0.016 | -0.140 | 0.000 |
| 4 | A | 4 | ASN | 0 | -0.011 | -0.003 | 5.474 | 1.148 | 1.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 5 | A | 5 | GLN | 0 | 0.011 | 0.014 | 6.057 | -1.945 | -1.945 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 6 | SER | 0 | 0.016 | 0.000 | 9.911 | 0.526 | 0.526 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 7 | ILE | 0 | -0.057 | -0.019 | 7.187 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 8 | VAL | 0 | 0.015 | 0.006 | 11.811 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 9 | LYS | 1 | 0.832 | 0.908 | 11.034 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 10 | THR | 0 | 0.007 | -0.006 | 16.581 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 11 | GLY | 0 | -0.002 | 0.009 | 19.366 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 12 | GLU | -1 | -0.856 | -0.942 | 19.994 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 13 | ARG | 1 | 0.801 | 0.874 | 18.846 | -0.623 | -0.623 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 14 | GLN | 0 | 0.008 | 0.023 | 15.627 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 15 | HIS | 0 | 0.085 | 0.050 | 13.055 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 16 | GLY | 0 | -0.022 | -0.003 | 11.672 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 17 | ILE | 0 | -0.059 | -0.033 | 5.715 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 18 | HIS | 0 | -0.045 | -0.041 | 8.829 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 19 | ILE | 0 | -0.047 | -0.015 | 6.487 | 1.074 | 1.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 20 | GLN | 0 | 0.056 | 0.029 | 9.697 | -1.054 | -1.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 21 | GLY | 0 | 0.032 | 0.016 | 12.347 | 0.528 | 0.528 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 22 | SER | 0 | -0.028 | -0.009 | 13.552 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 23 | ASP | -1 | -0.877 | -0.927 | 8.958 | 5.310 | 5.310 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 24 | PRO | 0 | 0.001 | -0.009 | 8.520 | -0.355 | -0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 25 | GLY | 0 | 0.087 | 0.053 | 9.171 | 0.891 | 0.891 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 26 | GLY | 0 | -0.017 | -0.013 | 8.668 | 1.254 | 1.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 27 | VAL | 0 | -0.027 | -0.015 | 5.964 | 0.606 | 0.606 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 32 | GLY | 0 | 0.064 | 0.035 | 7.143 | -1.303 | -1.303 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 33 | THR | 0 | -0.052 | -0.043 | 6.601 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 34 | THR | 0 | -0.049 | -0.017 | 9.619 | 0.887 | 0.887 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 35 | ILE | 0 | 0.004 | 0.006 | 8.902 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 36 | LYS | 1 | 0.843 | 0.921 | 12.960 | 1.285 | 1.285 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 37 | VAL | 0 | 0.023 | 0.017 | 14.835 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 38 | SER | 0 | 0.004 | -0.008 | 17.604 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 39 | GLY | 0 | 0.025 | 0.039 | 19.945 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 40 | ARG | 1 | 0.850 | 0.907 | 21.418 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 41 | GLN | 0 | -0.047 | -0.037 | 22.110 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 42 | ALA | 0 | -0.010 | 0.010 | 17.537 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 43 | GLN | 0 | 0.026 | 0.006 | 15.293 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 44 | GLY | 0 | 0.015 | -0.002 | 13.991 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 45 | ILE | 0 | -0.045 | -0.040 | 9.461 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 46 | LEU | 0 | 0.013 | 0.019 | 11.872 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 47 | LEU | 0 | -0.042 | -0.019 | 9.803 | 0.594 | 0.594 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 48 | GLU | -1 | -0.812 | -0.914 | 12.897 | 1.382 | 1.382 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 49 | ASN | 0 | -0.032 | -0.031 | 11.621 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 50 | PRO | 0 | 0.045 | 0.023 | 13.284 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 51 | ALA | 0 | -0.020 | 0.003 | 13.448 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 52 | ALA | 0 | -0.024 | -0.001 | 8.709 | 0.679 | 0.679 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 53 | GLU | -1 | -0.819 | -0.892 | 8.791 | 1.703 | 1.703 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 54 | LEU | 0 | -0.013 | -0.003 | 5.290 | 2.833 | 2.833 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 55 | GLN | 0 | -0.018 | -0.008 | 6.627 | -2.341 | -2.341 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 56 | PHE | 0 | -0.012 | -0.013 | 6.420 | -1.473 | -1.473 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 57 | ARG | 1 | 0.833 | 0.891 | 8.460 | 2.039 | 2.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 58 | ASN | 0 | -0.014 | -0.012 | 9.938 | -0.503 | -0.503 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 59 | GLY | 0 | 0.070 | 0.046 | 11.588 | -0.368 | -0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 60 | SER | 0 | -0.049 | -0.032 | 12.550 | 0.496 | 0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 61 | VAL | 0 | 0.008 | 0.002 | 11.932 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 62 | THR | 0 | -0.008 | -0.003 | 14.642 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 63 | SER | 0 | 0.057 | 0.033 | 17.305 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 64 | SER | 0 | -0.011 | -0.024 | 19.569 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 65 | GLY | 0 | 0.056 | 0.046 | 22.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 66 | GLN | 0 | 0.017 | 0.021 | 23.636 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 67 | LEU | 0 | -0.059 | -0.026 | 20.396 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 68 | SER | 0 | 0.021 | 0.017 | 23.568 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 69 | ASP | -1 | -0.791 | -0.906 | 23.618 | 0.917 | 0.917 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 70 | ASP | -1 | -0.831 | -0.886 | 23.531 | 0.666 | 0.666 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 71 | GLY | 0 | -0.061 | -0.024 | 26.311 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 72 | ILE | 0 | -0.044 | -0.024 | 28.073 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 73 | ARG | 1 | 0.870 | 0.933 | 30.790 | -0.392 | -0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 74 | ARG | 1 | 0.838 | 0.894 | 25.456 | -0.465 | -0.465 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 75 | PHE | 0 | 0.028 | 0.060 | 25.425 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 76 | LEU | 0 | -0.053 | -0.026 | 19.966 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 77 | GLY | 0 | 0.041 | 0.015 | 19.919 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 78 | THR | 0 | -0.016 | 0.003 | 17.296 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 79 | VAL | 0 | -0.004 | -0.010 | 13.571 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 80 | THR | 0 | -0.008 | -0.010 | 15.235 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 81 | VAL | 0 | -0.031 | -0.008 | 14.302 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 82 | LYS | 1 | 0.900 | 0.948 | 16.656 | -1.303 | -1.303 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 83 | ALA | 0 | -0.003 | -0.007 | 16.430 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 84 | GLY | 0 | 0.047 | 0.043 | 13.306 | 0.355 | 0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 85 | LYS | 1 | 0.821 | 0.897 | 12.598 | -2.597 | -2.597 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 86 | LEU | 0 | 0.027 | 0.011 | 10.587 | 0.631 | 0.631 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 87 | VAL | 0 | -0.040 | -0.024 | 10.993 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 88 | ALA | 0 | -0.006 | 0.003 | 10.963 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 89 | ASP | -1 | -0.781 | -0.869 | 12.386 | -1.035 | -1.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 90 | HIS | 1 | 0.860 | 0.914 | 13.492 | 0.676 | 0.676 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 91 | ALA | 0 | -0.001 | 0.012 | 13.622 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 92 | THR | 0 | -0.016 | -0.013 | 15.449 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 93 | LEU | 0 | -0.023 | -0.013 | 14.238 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 94 | ALA | 0 | 0.016 | 0.005 | 17.810 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 95 | ASN | 0 | -0.091 | -0.065 | 20.137 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 96 | VAL | 0 | -0.030 | -0.025 | 22.182 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 97 | GLY | 0 | 0.002 | 0.019 | 24.239 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 98 | ASP | -1 | -0.918 | -0.957 | 25.826 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 99 | THR | 0 | -0.040 | -0.039 | 29.606 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 100 | TRP | 0 | -0.032 | -0.028 | 31.312 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 101 | ASP | -1 | -0.855 | -0.934 | 29.249 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 102 | ASP | -1 | -0.786 | -0.912 | 25.101 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 103 | ASP | -1 | -0.841 | -0.920 | 27.347 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 104 | GLY | 0 | 0.015 | 0.010 | 25.700 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 105 | ILE | 0 | -0.092 | -0.037 | 22.189 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 106 | ALA | 0 | -0.001 | 0.012 | 20.883 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 107 | LEU | 0 | -0.036 | -0.034 | 16.776 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 108 | TYR | 0 | -0.034 | -0.045 | 19.067 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 109 | VAL | 0 | -0.005 | -0.006 | 18.229 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 110 | ALA | 0 | -0.024 | -0.027 | 20.410 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 111 | GLY | 0 | 0.061 | 0.035 | 21.437 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 112 | GLU | -1 | -0.867 | -0.944 | 22.352 | 1.047 | 1.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 113 | GLN | 0 | -0.040 | -0.023 | 18.814 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 114 | ALA | 0 | -0.033 | 0.012 | 17.782 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 115 | GLN | 0 | 0.006 | -0.013 | 16.656 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 116 | ALA | 0 | 0.014 | 0.002 | 15.925 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 117 | SER | 0 | -0.037 | -0.009 | 15.697 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 118 | ILE | 0 | 0.004 | 0.003 | 15.617 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 119 | ALA | 0 | 0.029 | 0.010 | 17.009 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 120 | ASP | -1 | -0.813 | -0.866 | 17.757 | -0.732 | -0.732 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 121 | SER | 0 | 0.013 | -0.007 | 17.122 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 122 | THR | 0 | -0.038 | -0.021 | 19.374 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 123 | LEU | 0 | -0.023 | -0.007 | 18.907 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 124 | GLN | 0 | 0.001 | -0.010 | 21.707 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 125 | GLY | 0 | 0.028 | 0.012 | 22.999 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 126 | ALA | 0 | 0.053 | 0.023 | 25.669 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 127 | GLY | 0 | 0.085 | 0.051 | 26.957 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 128 | GLY | 0 | -0.023 | -0.007 | 25.654 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 129 | VAL | 0 | -0.049 | -0.026 | 22.042 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 130 | GLN | 0 | -0.008 | -0.013 | 23.438 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 131 | ILE | 0 | 0.020 | 0.014 | 22.729 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 132 | GLU | -1 | -0.746 | -0.828 | 24.717 | 0.535 | 0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 133 | ARG | 1 | 0.922 | 0.940 | 25.210 | -0.668 | -0.668 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 134 | GLY | 0 | 0.104 | 0.061 | 26.050 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 135 | ALA | 0 | -0.043 | 0.009 | 22.208 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 136 | ASN | 0 | -0.028 | -0.021 | 21.906 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 137 | VAL | 0 | -0.004 | -0.010 | 20.283 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 138 | THR | 0 | -0.024 | -0.008 | 20.438 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 139 | VAL | 0 | 0.004 | -0.001 | 20.253 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 140 | GLN | 0 | 0.012 | -0.003 | 21.169 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 141 | ARG | 1 | 0.814 | 0.894 | 20.192 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 142 | SER | 0 | 0.032 | 0.010 | 21.233 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 143 | ALA | 0 | -0.042 | 0.000 | 23.403 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 144 | ILE | 0 | -0.007 | -0.001 | 23.976 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 145 | VAL | 0 | -0.041 | -0.031 | 25.036 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 146 | ASP | -1 | -0.746 | -0.872 | 27.352 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 147 | GLY | 0 | 0.101 | 0.059 | 27.849 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 148 | GLY | 0 | -0.008 | 0.014 | 29.051 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 149 | LEU | 0 | -0.046 | -0.023 | 25.678 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 150 | HIS | 1 | 0.773 | 0.866 | 27.689 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 151 | ILE | 0 | 0.047 | 0.019 | 27.691 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 152 | GLY | 0 | 0.050 | 0.025 | 28.802 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 153 | ALA | 0 | -0.024 | -0.017 | 30.637 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 154 | LEU | 0 | -0.001 | -0.001 | 33.120 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 155 | GLN | 0 | -0.035 | -0.037 | 35.933 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 156 | SER | 0 | -0.035 | -0.022 | 33.568 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 157 | LEU | 0 | 0.023 | 0.027 | 34.709 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 158 | GLN | 0 | -0.017 | -0.030 | 30.436 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 159 | PRO | 0 | -0.061 | -0.016 | 31.281 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 160 | GLU | -1 | -0.853 | -0.919 | 31.051 | 0.552 | 0.552 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 161 | ASP | -1 | -0.882 | -0.950 | 30.012 | 0.773 | 0.773 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 162 | LEU | 0 | -0.060 | -0.021 | 31.269 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 163 | PRO | 0 | -0.047 | -0.002 | 27.753 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 164 | PRO | 0 | 0.009 | -0.001 | 30.022 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 165 | SER | 0 | -0.012 | -0.013 | 26.730 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 166 | ARG | 1 | 0.805 | 0.896 | 26.428 | -0.611 | -0.611 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 167 | VAL | 0 | 0.004 | -0.002 | 24.948 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 168 | VAL | 0 | 0.001 | 0.002 | 25.120 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 169 | LEU | 0 | -0.004 | -0.005 | 24.911 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 170 | ARG | 1 | 0.905 | 0.934 | 25.974 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 171 | ASP | -1 | -0.890 | -0.952 | 26.341 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 172 | THR | 0 | -0.104 | -0.063 | 25.669 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 173 | ASN | 0 | 0.017 | 0.015 | 27.632 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 174 | VAL | 0 | -0.009 | -0.011 | 27.903 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 175 | THR | 0 | 0.013 | 0.008 | 29.876 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 176 | ALA | 0 | -0.047 | -0.010 | 30.726 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 177 | VAL | 0 | 0.034 | 0.036 | 32.574 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 178 | PRO | 0 | -0.019 | -0.009 | 34.447 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 179 | ALA | 0 | 0.005 | 0.001 | 33.385 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 180 | SER | 0 | -0.010 | 0.021 | 31.424 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 181 | GLY | 0 | 0.014 | 0.017 | 33.286 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 182 | ALA | 0 | -0.019 | -0.026 | 32.803 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 183 | PRO | 0 | -0.046 | -0.015 | 34.889 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 184 | ALA | 0 | -0.006 | -0.003 | 35.763 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 185 | ALA | 0 | 0.031 | 0.024 | 33.449 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 186 | VAL | 0 | 0.009 | -0.004 | 31.214 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 187 | SER | 0 | -0.038 | -0.014 | 32.244 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 188 | VAL | 0 | 0.004 | 0.010 | 32.147 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 189 | LEU | 0 | -0.026 | -0.024 | 33.231 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 190 | GLY | 0 | 0.056 | 0.038 | 33.715 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 191 | ALA | 0 | 0.007 | 0.009 | 33.021 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 192 | SER | 0 | -0.023 | -0.022 | 31.146 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 193 | GLU | -1 | -0.820 | -0.896 | 30.750 | 0.424 | 0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 194 | LEU | 0 | -0.027 | -0.010 | 29.129 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 195 | THR | 0 | -0.014 | -0.003 | 29.989 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 196 | LEU | 0 | -0.011 | -0.008 | 29.648 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 197 | ASP | -1 | -0.823 | -0.896 | 30.592 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 198 | GLY | 0 | 0.064 | 0.033 | 30.758 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 199 | GLY | 0 | 0.009 | -0.002 | 30.838 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 200 | HIS | 0 | -0.060 | -0.012 | 32.316 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 201 | ILE | 0 | 0.022 | 0.013 | 32.787 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 202 | THR | 0 | -0.033 | -0.040 | 34.176 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 203 | GLY | 0 | 0.103 | 0.062 | 34.997 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 204 | GLY | 0 | -0.038 | -0.017 | 36.642 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 205 | ARG | 1 | 0.847 | 0.911 | 37.419 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 206 | ALA | 0 | -0.040 | -0.021 | 40.163 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 207 | ALA | 0 | 0.002 | -0.012 | 39.714 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 208 | GLY | 0 | 0.072 | 0.047 | 38.051 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 209 | VAL | 0 | -0.050 | -0.030 | 35.487 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 210 | ALA | 0 | 0.007 | 0.004 | 36.694 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 211 | ALA | 0 | -0.005 | -0.006 | 36.592 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 212 | MET | 0 | -0.005 | -0.002 | 37.788 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 213 | GLN | 0 | -0.045 | -0.040 | 38.232 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 214 | GLY | 0 | 0.045 | 0.021 | 38.974 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 215 | ALA | 0 | -0.013 | 0.029 | 36.066 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 216 | VAL | 0 | 0.006 | -0.005 | 35.531 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 217 | VAL | 0 | -0.003 | -0.009 | 34.381 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 218 | HIS | 0 | -0.006 | 0.002 | 34.681 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 219 | LEU | 0 | -0.003 | -0.002 | 34.441 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 220 | GLN | 0 | 0.002 | 0.001 | 35.101 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 221 | ARG | 1 | 0.865 | 0.919 | 35.004 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 222 | ALA | 0 | 0.036 | 0.031 | 35.487 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 223 | THR | 0 | -0.076 | -0.057 | 36.584 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 224 | ILE | 0 | 0.006 | 0.015 | 37.116 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 225 | ARG | 1 | 0.828 | 0.880 | 38.809 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 226 | ARG | 1 | 1.009 | 1.002 | 39.329 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 227 | GLY | 0 | -0.032 | -0.004 | 40.284 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 228 | ASP | -1 | -0.842 | -0.941 | 35.346 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 229 | ALA | 0 | 0.012 | 0.002 | 35.474 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 230 | LEU | 0 | -0.030 | -0.015 | 29.691 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 231 | ALA | 0 | 0.044 | -0.005 | 27.310 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 232 | GLY | 0 | 0.005 | 0.027 | 26.332 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 233 | GLY | 0 | -0.017 | -0.003 | 25.721 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 234 | ALA | 0 | -0.017 | -0.015 | 26.698 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 235 | VAL | 0 | -0.021 | -0.013 | 30.033 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 236 | PRO | 0 | 0.027 | 0.030 | 32.644 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 237 | GLY | 0 | 0.003 | 0.000 | 35.748 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 238 | GLY | 0 | -0.016 | -0.015 | 36.220 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 239 | ALA | 0 | -0.018 | -0.017 | 35.989 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 240 | VAL | 0 | 0.033 | 0.032 | 35.974 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 241 | PRO | 0 | 0.030 | 0.016 | 38.462 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 242 | GLY | 0 | -0.045 | -0.024 | 40.481 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 243 | GLY | 0 | 0.001 | -0.003 | 38.208 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 244 | ALA | 0 | -0.039 | -0.025 | 38.032 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 245 | VAL | 0 | 0.014 | 0.025 | 33.956 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 246 | PRO | 0 | -0.068 | -0.014 | 33.481 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 247 | GLY | 0 | 0.099 | 0.025 | 30.409 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 248 | GLY | 0 | -0.046 | -0.012 | 30.397 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 249 | PHE | 0 | -0.011 | -0.020 | 30.599 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 250 | GLY | 0 | 0.050 | 0.025 | 30.901 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 251 | PRO | 0 | -0.107 | -0.024 | 31.337 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 252 | GLY | 0 | 0.082 | 0.022 | 31.615 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 253 | GLY | 0 | 0.041 | 0.009 | 30.900 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 254 | PHE | 0 | -0.010 | -0.003 | 29.802 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 255 | GLY | 0 | 0.016 | 0.034 | 33.536 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 256 | PRO | 0 | -0.021 | -0.013 | 36.873 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 257 | VAL | 0 | -0.010 | -0.030 | 39.549 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 258 | LEU | 0 | -0.051 | -0.014 | 42.750 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 259 | ASP | -1 | -0.830 | -0.929 | 43.399 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 260 | GLY | 0 | 0.005 | -0.009 | 45.682 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 261 | TRP | 0 | -0.046 | -0.024 | 39.966 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 262 | TYR | 0 | -0.066 | -0.042 | 43.724 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 263 | GLY | 0 | 0.054 | 0.028 | 42.220 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 264 | VAL | 0 | -0.029 | -0.022 | 39.912 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 265 | ASP | -1 | -0.798 | -0.866 | 41.169 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 266 | VAL | 0 | -0.014 | -0.002 | 41.310 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 267 | SER | 0 | 0.008 | -0.017 | 42.443 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 268 | GLY | 0 | 0.035 | 0.020 | 42.550 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 269 | SER | 0 | -0.040 | -0.009 | 39.923 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 270 | SER | 0 | -0.026 | -0.021 | 40.046 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 271 | VAL | 0 | -0.006 | -0.008 | 38.749 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 272 | GLU | -1 | -0.804 | -0.887 | 39.068 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 273 | LEU | 0 | -0.017 | -0.011 | 39.211 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 274 | ALA | 0 | 0.043 | 0.019 | 39.280 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 275 | GLN | 0 | -0.035 | -0.030 | 39.916 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 276 | SER | 0 | 0.005 | 0.003 | 39.131 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 277 | ILE | 0 | -0.038 | -0.016 | 40.884 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 278 | VAL | 0 | -0.006 | 0.004 | 41.438 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 279 | GLU | -1 | -0.821 | -0.875 | 43.482 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 280 | ALA | 0 | 0.005 | 0.007 | 44.525 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 281 | PRO | 0 | -0.068 | -0.031 | 45.789 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 282 | GLU | -1 | -0.926 | -0.977 | 48.627 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 283 | LEU | 0 | -0.042 | -0.017 | 49.578 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 284 | GLY | 0 | 0.020 | 0.001 | 48.655 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 285 | ALA | 0 | -0.015 | 0.002 | 48.074 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 286 | ALA | 0 | -0.007 | -0.001 | 46.362 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 287 | ILE | 0 | -0.003 | -0.004 | 44.938 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 288 | ARG | 1 | 0.778 | 0.879 | 45.213 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 289 | VAL | 0 | 0.023 | 0.010 | 45.861 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 290 | GLY | 0 | 0.053 | -0.003 | 47.235 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 291 | ARG | 1 | 0.849 | 0.912 | 46.701 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 292 | GLY | 0 | 0.033 | 0.010 | 47.366 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 293 | ALA | 0 | -0.072 | -0.009 | 45.377 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 294 | ARG | 1 | 0.833 | 0.897 | 42.573 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 295 | VAL | 0 | -0.001 | -0.010 | 43.852 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 296 | THR | 0 | -0.019 | -0.006 | 44.213 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 297 | VAL | 0 | 0.022 | 0.012 | 43.921 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 298 | PRO | 0 | 0.013 | 0.007 | 43.361 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 299 | GLY | 0 | 0.039 | 0.026 | 44.530 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 300 | GLY | 0 | -0.014 | -0.014 | 44.680 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 301 | SER | 0 | -0.009 | -0.004 | 45.282 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 302 | LEU | 0 | -0.015 | 0.001 | 45.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 303 | SER | 0 | 0.014 | -0.013 | 47.308 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 304 | ALA | 0 | -0.004 | 0.003 | 48.548 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 305 | PRO | 0 | 0.016 | 0.014 | 51.028 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 306 | HIS | 0 | 0.025 | 0.008 | 53.447 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 307 | GLY | 0 | 0.006 | 0.009 | 53.151 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 308 | ASN | 0 | -0.049 | -0.040 | 52.636 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 309 | VAL | 0 | 0.005 | 0.006 | 50.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 310 | ILE | 0 | 0.006 | 0.004 | 49.773 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 311 | GLU | -1 | -0.784 | -0.871 | 50.336 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 312 | THR | 0 | -0.017 | -0.012 | 50.577 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 313 | GLY | 0 | 0.021 | -0.012 | 51.734 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 314 | GLY | 0 | 0.032 | 0.030 | 49.868 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 315 | ALA | 0 | 0.024 | 0.006 | 50.491 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 316 | ARG | 1 | 0.972 | 0.965 | 52.546 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 317 | ARG | 1 | 0.958 | 0.977 | 56.414 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 318 | PHE | 0 | 0.032 | 0.042 | 56.987 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 319 | ALA | 0 | 0.018 | -0.003 | 56.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 320 | PRO | 0 | -0.002 | -0.011 | 57.873 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 321 | GLN | 0 | -0.007 | 0.007 | 56.142 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 322 | ALA | 0 | -0.038 | -0.005 | 53.290 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 323 | ALA | 0 | 0.022 | 0.012 | 50.908 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 324 | PRO | 0 | -0.014 | -0.009 | 52.404 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 325 | LEU | 0 | -0.049 | 0.011 | 49.826 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 326 | SER | 0 | -0.033 | -0.010 | 49.686 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 327 | ILE | 0 | 0.047 | 0.021 | 48.563 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 328 | THR | 0 | -0.020 | -0.017 | 48.957 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 329 | LEU | 0 | 0.014 | 0.018 | 48.642 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 330 | GLN | 0 | 0.012 | -0.004 | 47.363 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 331 | ALA | 0 | 0.008 | -0.002 | 47.831 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 332 | GLY | 0 | 0.023 | 0.015 | 48.969 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 333 | ALA | 0 | -0.074 | -0.015 | 48.399 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 334 | HIS | 0 | -0.001 | -0.003 | 49.526 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 335 | ALA | 0 | -0.016 | -0.011 | 49.980 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 336 | GLN | 0 | -0.008 | -0.011 | 52.035 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 337 | GLY | 0 | 0.057 | 0.018 | 52.772 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 338 | LYS | 1 | 0.875 | 0.962 | 55.061 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 339 | ALA | 0 | -0.005 | 0.012 | 56.957 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 340 | LEU | 0 | 0.004 | 0.010 | 54.133 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 341 | LEU | 0 | -0.004 | -0.016 | 54.055 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 342 | TYR | 0 | 0.047 | 0.022 | 55.065 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 343 | ARG | 1 | 0.813 | 0.896 | 55.168 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 344 | VAL | 0 | 0.029 | 0.000 | 53.695 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 345 | LEU | 0 | -0.070 | -0.030 | 53.686 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 346 | PRO | 0 | 0.006 | 0.010 | 56.984 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 347 | GLU | -1 | -0.782 | -0.887 | 51.727 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 348 | PRO | 0 | 0.007 | 0.017 | 55.977 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 349 | VAL | 0 | -0.009 | -0.001 | 54.278 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 350 | LYS | 1 | 0.908 | 0.969 | 54.626 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 351 | LEU | 0 | 0.030 | 0.022 | 53.348 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 352 | THR | 0 | -0.035 | -0.035 | 53.372 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 353 | LEU | 0 | 0.027 | 0.024 | 53.364 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 354 | THR | 0 | -0.006 | -0.023 | 52.594 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 355 | GLY | 0 | 0.041 | 0.017 | 53.219 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 356 | GLY | 0 | 0.000 | -0.010 | 53.253 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 357 | ALA | 0 | -0.059 | -0.005 | 52.569 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 358 | ASP | -1 | -0.831 | -0.910 | 53.779 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 359 | ALA | 0 | 0.017 | 0.006 | 54.573 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 360 | GLN | 0 | -0.010 | -0.010 | 56.065 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 361 | GLY | 0 | 0.080 | 0.047 | 56.835 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 362 | ASP | -1 | -0.862 | -0.922 | 59.230 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 363 | ILE | 0 | -0.037 | -0.016 | 58.847 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 364 | VAL | 0 | 0.000 | -0.010 | 59.868 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 365 | ALA | 0 | 0.017 | 0.002 | 59.830 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 366 | THR | 0 | -0.023 | -0.008 | 59.720 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 367 | GLU | -1 | -0.972 | -0.982 | 62.483 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 368 | LEU | 0 | 0.070 | 0.034 | 64.901 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 369 | PRO | 0 | -0.006 | 0.008 | 60.958 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 370 | SER | 0 | -0.041 | -0.024 | 63.860 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 371 | ILE | 0 | -0.061 | -0.035 | 61.623 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 372 | PRO | 0 | 0.062 | 0.021 | 65.797 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 373 | GLY | 0 | 0.057 | 0.035 | 68.325 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 374 | THR | 0 | 0.007 | 0.002 | 66.832 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 375 | SER | 0 | -0.051 | -0.028 | 64.548 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 376 | ILE | 0 | -0.033 | -0.018 | 61.813 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 377 | GLY | 0 | 0.005 | 0.012 | 59.867 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 378 | PRO | 0 | 0.031 | 0.012 | 60.881 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 379 | LEU | 0 | -0.045 | -0.019 | 58.046 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 380 | ASP | -1 | -0.840 | -0.890 | 59.344 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 381 | VAL | 0 | 0.008 | -0.019 | 58.603 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 382 | ALA | 0 | -0.046 | -0.013 | 58.001 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 383 | LEU | 0 | 0.001 | 0.008 | 58.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 384 | ALA | 0 | 0.045 | 0.001 | 57.417 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 385 | SER | 0 | 0.005 | 0.003 | 56.811 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 386 | GLN | 0 | 0.033 | -0.004 | 57.423 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 387 | ALA | 0 | -0.078 | 0.000 | 56.598 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 388 | ARG | 1 | 0.838 | 0.903 | 58.019 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 389 | TRP | 0 | -0.033 | -0.016 | 58.274 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 390 | THR | 0 | -0.057 | -0.037 | 60.288 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 391 | GLY | 0 | 0.082 | 0.041 | 61.192 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 392 | ALA | 0 | -0.020 | 0.006 | 63.465 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 393 | THR | 0 | 0.041 | -0.006 | 63.500 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 394 | ARG | 1 | 0.843 | 0.907 | 65.839 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 395 | ALA | 0 | 0.028 | 0.025 | 63.140 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 396 | VAL | 0 | 0.025 | 0.034 | 61.956 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 397 | ASP | -1 | -0.825 | -0.902 | 63.881 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 398 | SER | 0 | -0.121 | -0.096 | 63.406 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 399 | LEU | 0 | 0.057 | 0.033 | 62.880 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 400 | SER | 0 | -0.031 | -0.017 | 61.931 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 401 | ILE | 0 | -0.008 | 0.001 | 62.781 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 402 | ASP | -1 | -0.869 | -0.930 | 62.133 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 403 | ASN | 0 | 0.021 | 0.006 | 62.177 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 404 | ALA | 0 | 0.018 | 0.020 | 61.084 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 405 | THR | 0 | -0.039 | -0.031 | 62.421 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 406 | TRP | 0 | 0.033 | 0.009 | 62.866 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 407 | VAL | 0 | -0.028 | -0.027 | 64.334 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 408 | MET | 0 | 0.007 | 0.017 | 65.630 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 409 | THR | 0 | -0.004 | -0.008 | 64.794 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 410 | ASP | -1 | -0.828 | -0.925 | 68.049 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 411 | ASN | 0 | -0.021 | -0.019 | 70.206 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 412 | SER | 0 | 0.002 | -0.004 | 68.827 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 413 | ASN | 0 | -0.051 | -0.019 | 69.688 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 414 | VAL | 0 | 0.024 | 0.016 | 66.921 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 415 | GLY | 0 | 0.019 | 0.013 | 68.103 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 416 | ALA | 0 | -0.057 | -0.045 | 68.395 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 417 | LEU | 0 | 0.031 | 0.025 | 67.740 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 418 | ARG | 1 | 0.902 | 0.947 | 66.928 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 419 | LEU | 0 | 0.004 | 0.015 | 67.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 420 | ALA | 0 | 0.047 | 0.021 | 66.290 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 421 | SER | 0 | 0.000 | -0.014 | 65.507 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 422 | ASP | -1 | -0.853 | -0.915 | 66.635 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 423 | GLY | 0 | -0.049 | -0.002 | 66.184 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 424 | SER | 0 | -0.045 | -0.037 | 66.745 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 425 | VAL | 0 | 0.020 | 0.011 | 67.197 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 426 | ASP | -1 | -0.872 | -0.924 | 68.391 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 427 | PHE | 0 | 0.036 | 0.012 | 69.551 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 428 | GLN | 0 | 0.064 | 0.039 | 66.363 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 429 | GLN | 0 | -0.011 | -0.011 | 70.679 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 430 | PRO | 0 | -0.041 | 0.001 | 72.003 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 431 | ALA | 0 | 0.018 | -0.004 | 72.323 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 432 | GLU | -1 | -0.881 | -0.921 | 74.275 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 433 | ALA | 0 | 0.030 | 0.004 | 77.626 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 434 | GLY | 0 | 0.033 | 0.001 | 80.726 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 435 | ARG | 1 | 0.839 | 0.926 | 74.451 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 436 | PHE | 0 | -0.049 | -0.028 | 76.761 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 437 | LYS | 1 | 0.843 | 0.937 | 71.473 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 438 | VAL | 0 | -0.019 | -0.025 | 75.707 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 439 | LEU | 0 | 0.016 | 0.022 | 70.711 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 440 | THR | 0 | -0.030 | -0.020 | 73.743 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 441 | VAL | 0 | 0.016 | 0.003 | 71.311 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 442 | ASN | 0 | 0.011 | 0.019 | 72.506 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 443 | THR | 0 | -0.023 | -0.019 | 72.444 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 444 | LEU | 0 | 0.020 | 0.014 | 72.532 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 445 | ALA | 0 | 0.016 | 0.016 | 71.916 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 446 | GLY | 0 | 0.032 | 0.014 | 71.541 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 447 | SER | 0 | -0.062 | -0.061 | 71.579 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 448 | GLY | 0 | 0.057 | 0.021 | 71.140 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 449 | LEU | 0 | -0.085 | -0.030 | 71.337 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 450 | PHE | 0 | 0.068 | 0.021 | 71.695 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 451 | ARG | 1 | 0.847 | 0.935 | 70.625 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 452 | MET | 0 | -0.039 | 0.000 | 74.075 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 453 | ASN | 0 | -0.016 | -0.014 | 74.422 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 454 | VAL | 0 | 0.000 | -0.003 | 78.347 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 455 | PHE | 0 | 0.032 | 0.011 | 78.269 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 456 | ALA | 0 | 0.066 | 0.025 | 84.065 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 457 | ASP | -1 | -0.840 | -0.900 | 86.367 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 458 | LEU | 0 | -0.019 | -0.005 | 84.261 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 459 | GLY | 0 | -0.001 | 0.015 | 88.110 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 460 | LEU | 0 | -0.038 | -0.012 | 83.607 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 461 | SER | 0 | -0.021 | -0.032 | 81.892 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 462 | ASP | -1 | -0.758 | -0.843 | 76.357 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 463 | LYS | 1 | 0.907 | 0.960 | 78.236 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 464 | LEU | 0 | 0.024 | 0.015 | 75.210 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 465 | VAL | 0 | -0.033 | -0.028 | 77.219 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 466 | VAL | 0 | -0.010 | -0.004 | 76.559 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 467 | MET | 0 | -0.028 | -0.027 | 77.544 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 468 | GLN | 0 | -0.060 | -0.027 | 75.899 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 469 | ASP | -1 | -0.869 | -0.929 | 77.152 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 470 | ALA | 0 | 0.012 | 0.005 | 77.028 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 471 | SER | 0 | 0.032 | -0.005 | 77.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 472 | GLY | 0 | 0.019 | 0.022 | 76.212 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 473 | GLN | 0 | 0.000 | -0.009 | 76.338 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 474 | HIS | 0 | 0.008 | 0.015 | 73.467 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 475 | ARG | 1 | 0.812 | 0.896 | 72.315 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 476 | LEU | 0 | 0.027 | 0.014 | 76.295 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 477 | TRP | 0 | 0.020 | 0.000 | 74.674 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 478 | VAL | 0 | 0.021 | 0.004 | 77.283 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 479 | ARG | 1 | 0.786 | 0.874 | 71.938 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 480 | ASN | 0 | 0.013 | -0.011 | 78.294 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 481 | SER | 0 | -0.022 | -0.028 | 77.407 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 482 | GLY | 0 | 0.006 | 0.011 | 80.012 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 483 | SER | 0 | -0.043 | -0.027 | 83.346 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 484 | GLU | -1 | -0.840 | -0.907 | 86.747 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 485 | PRO | 0 | -0.024 | 0.008 | 89.488 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 486 | ALA | 0 | 0.055 | 0.013 | 91.727 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 487 | SER | 0 | -0.052 | -0.024 | 94.832 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 488 | ALA | 0 | 0.011 | 0.007 | 94.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 489 | ASN | 0 | -0.012 | -0.006 | 90.300 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 490 | THR | 0 | 0.008 | 0.018 | 90.618 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 491 | LEU | 0 | -0.007 | 0.006 | 85.338 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 492 | LEU | 0 | -0.006 | -0.004 | 84.958 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 493 | LEU | 0 | 0.026 | 0.015 | 80.831 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 494 | VAL | 0 | 0.014 | -0.001 | 79.709 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 495 | GLN | 0 | -0.036 | -0.009 | 81.564 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 496 | THR | 0 | -0.036 | -0.019 | 80.691 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 497 | PRO | 0 | 0.057 | 0.021 | 81.180 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 498 | LEU | 0 | -0.018 | -0.002 | 84.318 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 499 | GLY | 0 | 0.013 | 0.000 | 87.219 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 500 | SER | 0 | -0.082 | -0.028 | 82.012 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 501 | ALA | 0 | 0.062 | 0.024 | 81.133 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 502 | ALA | 0 | -0.065 | -0.012 | 79.498 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 503 | THR | 0 | -0.007 | 0.002 | 80.756 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 504 | PHE | 0 | -0.011 | -0.006 | 77.464 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 505 | THR | 0 | -0.004 | -0.007 | 80.193 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 506 | LEU | 0 | -0.047 | -0.015 | 80.613 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 507 | ALA | 0 | 0.025 | 0.002 | 77.531 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 508 | ASN | 0 | -0.052 | -0.016 | 79.437 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 509 | LYS | 1 | 0.980 | 0.981 | 81.366 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 510 | ASP | -1 | -0.860 | -0.938 | 83.114 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 511 | GLY | 0 | 0.049 | 0.035 | 84.737 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 512 | LYS | 1 | 0.772 | 0.873 | 85.658 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 513 | VAL | 0 | 0.020 | 0.001 | 83.276 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 514 | ASP | -1 | -0.776 | -0.836 | 85.891 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 515 | ILE | 0 | 0.001 | -0.008 | 85.179 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 516 | GLY | 0 | 0.037 | 0.026 | 88.208 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 517 | THR | 0 | -0.075 | -0.056 | 90.791 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 518 | TYR | 0 | -0.011 | -0.013 | 92.199 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 519 | ARG | 1 | 0.861 | 0.903 | 90.660 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 520 | TYR | 0 | -0.001 | -0.011 | 87.651 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 521 | ARG | 1 | 0.894 | 0.929 | 87.745 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 522 | LEU | 0 | -0.025 | 0.003 | 83.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 523 | ALA | 0 | -0.001 | 0.003 | 87.044 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 524 | ALA | 0 | 0.065 | 0.029 | 87.304 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 525 | ASN | 0 | -0.044 | -0.015 | 89.426 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 526 | GLY | 0 | 0.025 | 0.009 | 90.622 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 527 | ASN | 0 | 0.040 | 0.009 | 90.352 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 528 | GLY | 0 | 0.060 | 0.045 | 86.542 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 529 | GLN | 0 | -0.086 | -0.035 | 85.392 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 530 | TRP | 0 | 0.035 | 0.010 | 83.609 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 531 | SER | 0 | -0.003 | -0.005 | 84.953 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 532 | LEU | 0 | -0.026 | -0.012 | 84.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 533 | VAL | 0 | -0.019 | -0.015 | 87.201 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 534 | GLY | 0 | 0.069 | 0.028 | 91.007 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 535 | ALA | 0 | -0.011 | -0.011 | 92.043 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 536 | LYS | 1 | 0.899 | 0.947 | 94.692 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 537 | ALA | 0 | -0.033 | -0.019 | 93.796 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 538 | PRO | 0 | -0.075 | -0.032 | 95.076 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 539 | PRO | -1 | -0.911 | -0.948 | 97.154 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |