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: LR469
Calculation Name: 1K3V-A-Xray549
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 1K3V
Chain ID: A
UniProt ID: P18546
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 | 542 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -10513361.062306 |
|---|---|
| FMO2-HF: Nuclear repulsion | 10299306.524478 |
| FMO2-HF: Total energy | -214054.537827 |
| FMO2-MP2: Total energy | -214679.494617 |
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:38:GLY)
Summations of interaction energy for
fragment #1(A:38:GLY)
| 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. |
| -91.8 | -89.277 | 0.093 | -1.152 | -1.463 | -0.008 |
Interaction energy analysis for fragmet #1(A:38:GLY)
| 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 | 40 | GLY | 0 | 0.013 | 0.016 | 3.842 | 6.000 | 7.117 | -0.008 | -0.480 | -0.629 | -0.002 |
| 4 | A | 41 | VAL | 0 | -0.036 | -0.028 | 3.130 | 2.510 | 3.027 | 0.084 | -0.182 | -0.419 | -0.002 |
| 5 | A | 42 | SER | 0 | -0.019 | 0.006 | 5.251 | -0.516 | -0.583 | -0.001 | -0.003 | 0.072 | 0.000 |
| 222 | A | 259 | GLY | 0 | -0.034 | -0.020 | 3.106 | 0.146 | 0.378 | 0.018 | -0.114 | -0.136 | -0.001 |
| 223 | A | 260 | ASP | -1 | -0.870 | -0.912 | 3.669 | -53.849 | -53.125 | 0.000 | -0.373 | -0.351 | -0.003 |
| 6 | A | 43 | THR | 0 | -0.010 | -0.001 | 5.322 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 44 | GLY | 0 | 0.120 | 0.065 | 7.876 | 1.359 | 1.359 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 45 | THR | 0 | -0.084 | -0.041 | 11.699 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 46 | PHE | 0 | 0.049 | 0.028 | 14.941 | 0.748 | 0.748 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 47 | ASN | 0 | -0.025 | -0.034 | 18.171 | 0.808 | 0.808 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 48 | ASN | 0 | 0.028 | 0.025 | 21.540 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 49 | GLN | 0 | 0.020 | 0.030 | 24.833 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 50 | THR | 0 | 0.015 | -0.007 | 27.374 | -0.337 | -0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 51 | GLU | -1 | -0.870 | -0.906 | 27.181 | -11.234 | -11.234 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 52 | PHE | 0 | 0.014 | -0.005 | 31.253 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 53 | GLN | 0 | -0.013 | -0.006 | 30.093 | 0.386 | 0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 54 | TYR | 0 | 0.027 | -0.001 | 35.276 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 55 | LEU | 0 | -0.020 | -0.006 | 36.493 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 56 | GLY | 0 | 0.036 | 0.017 | 40.472 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 57 | GLU | -1 | -0.950 | -0.987 | 43.715 | -7.052 | -7.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 58 | GLY | 0 | -0.008 | 0.007 | 45.139 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 59 | LEU | 0 | -0.020 | -0.009 | 40.739 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 60 | VAL | 0 | 0.000 | -0.007 | 37.970 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 61 | ARG | 1 | 0.956 | 0.982 | 31.414 | 9.686 | 9.686 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 62 | ILE | 0 | 0.003 | 0.004 | 33.155 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 63 | THR | 0 | 0.011 | -0.005 | 27.309 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 64 | ALA | 0 | 0.027 | 0.026 | 28.884 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 65 | HIS | 1 | 0.813 | 0.888 | 23.395 | 12.580 | 12.580 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 66 | ALA | 0 | 0.009 | 0.019 | 24.056 | 0.358 | 0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 67 | SER | 0 | 0.009 | -0.015 | 19.959 | -0.996 | -0.996 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 68 | ARG | 1 | 0.808 | 0.881 | 20.352 | 13.148 | 13.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 69 | LEU | 0 | -0.017 | 0.016 | 17.325 | -0.815 | -0.815 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 70 | ILE | 0 | -0.003 | 0.002 | 18.571 | 1.098 | 1.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 71 | HIS | 0 | 0.012 | 0.019 | 18.766 | -0.557 | -0.557 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 72 | LEU | 0 | 0.026 | 0.001 | 18.943 | 0.644 | 0.644 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 73 | ASN | 0 | 0.005 | -0.009 | 20.891 | -0.748 | -0.748 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 74 | MET | 0 | 0.035 | 0.032 | 21.672 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 75 | PRO | 0 | 0.023 | 0.017 | 22.760 | 0.526 | 0.526 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 76 | GLU | -1 | -0.930 | -0.952 | 25.918 | -10.112 | -10.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 77 | HIS | 0 | -0.002 | -0.016 | 29.007 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 78 | GLU | -1 | -0.817 | -0.910 | 24.484 | -13.336 | -13.336 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 79 | THR | 0 | -0.030 | -0.013 | 28.114 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 80 | TYR | 0 | -0.001 | -0.022 | 27.523 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 81 | LYS | 1 | 0.895 | 0.955 | 32.720 | 9.345 | 9.345 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 82 | ARG | 1 | 0.972 | 0.977 | 36.072 | 7.506 | 7.506 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 83 | ILE | 0 | -0.045 | -0.024 | 37.488 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 84 | HIS | 0 | -0.008 | -0.008 | 41.095 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 85 | VAL | 0 | -0.004 | -0.001 | 42.498 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 86 | LEU | 0 | 0.022 | -0.004 | 45.363 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 87 | ASN | 0 | -0.018 | 0.007 | 48.626 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 88 | SER | 0 | 0.009 | -0.010 | 50.305 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 89 | GLU | -1 | -0.899 | -0.961 | 50.710 | -6.291 | -6.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 90 | SER | 0 | -0.017 | -0.012 | 52.461 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 91 | GLY | 0 | 0.008 | 0.011 | 54.416 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 92 | VAL | 0 | -0.040 | -0.027 | 57.277 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 93 | ALA | 0 | 0.018 | 0.010 | 59.670 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 94 | GLY | 0 | -0.066 | -0.037 | 61.432 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 95 | GLN | 0 | -0.012 | -0.013 | 56.583 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 96 | MET | 0 | 0.069 | 0.071 | 55.719 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 97 | VAL | 0 | -0.010 | -0.002 | 53.963 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 98 | GLN | 0 | -0.063 | -0.028 | 51.834 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 99 | ASP | -1 | -0.762 | -0.854 | 51.273 | -6.420 | -6.420 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 100 | ASP | -1 | -0.886 | -0.929 | 46.230 | -6.973 | -6.973 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 101 | ALA | 0 | -0.043 | -0.014 | 46.226 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 102 | HIS | 0 | -0.041 | -0.032 | 41.782 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 103 | THR | 0 | -0.003 | -0.043 | 41.909 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 104 | GLN | 0 | -0.049 | -0.037 | 37.533 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 105 | MET | 0 | -0.032 | 0.006 | 35.189 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 106 | VAL | 0 | 0.022 | 0.006 | 32.724 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 107 | THR | 0 | -0.035 | -0.027 | 29.092 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 108 | PRO | 0 | -0.025 | 0.000 | 26.282 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 109 | TRP | 0 | -0.009 | -0.033 | 20.608 | -0.875 | -0.875 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 110 | SER | 0 | -0.024 | -0.009 | 23.532 | 0.601 | 0.601 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 111 | LEU | 0 | -0.030 | -0.012 | 24.153 | -0.491 | -0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 112 | ILE | 0 | -0.017 | -0.010 | 19.790 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 113 | ASP | -1 | -0.784 | -0.901 | 24.174 | -10.625 | -10.625 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 114 | ALA | 0 | 0.039 | 0.002 | 25.306 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 115 | ASN | 0 | -0.010 | 0.006 | 27.411 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 116 | ALA | 0 | 0.059 | 0.009 | 30.955 | 0.360 | 0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 117 | TRP | 0 | -0.021 | -0.015 | 31.897 | -0.325 | -0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 118 | GLY | 0 | 0.020 | -0.007 | 33.040 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 119 | VAL | 0 | -0.070 | -0.020 | 26.770 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 120 | TRP | 0 | -0.061 | -0.039 | 24.745 | -0.489 | -0.489 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 121 | PHE | 0 | -0.017 | 0.002 | 29.731 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 122 | ASN | 0 | 0.007 | 0.001 | 32.424 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 123 | PRO | 0 | 0.066 | -0.001 | 34.256 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 124 | ALA | 0 | 0.001 | 0.019 | 37.007 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 125 | ASP | -1 | -0.773 | -0.880 | 33.072 | -9.592 | -9.592 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 126 | TRP | 0 | -0.015 | -0.003 | 36.700 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 127 | GLN | 0 | -0.005 | 0.021 | 39.054 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 128 | LEU | 0 | -0.035 | -0.013 | 38.099 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 129 | ILE | 0 | -0.016 | -0.016 | 36.118 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 130 | SER | 0 | -0.032 | -0.037 | 40.732 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 131 | ASN | 0 | 0.051 | 0.025 | 43.756 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 132 | ASN | 0 | -0.042 | -0.045 | 44.074 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 133 | MET | 0 | -0.016 | 0.019 | 39.444 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 134 | THR | 0 | -0.022 | -0.017 | 44.252 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 135 | GLU | -1 | -0.945 | -0.976 | 44.004 | -6.996 | -6.996 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 136 | ILE | 0 | 0.028 | 0.010 | 36.786 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 137 | ASN | 0 | 0.031 | 0.012 | 38.696 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 138 | LEU | 0 | 0.036 | 0.038 | 32.941 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 139 | VAL | 0 | -0.041 | -0.014 | 32.164 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 140 | SER | 0 | 0.002 | -0.003 | 27.805 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 141 | PHE | 0 | -0.005 | -0.013 | 25.021 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 142 | GLU | -1 | -0.905 | -0.935 | 20.764 | -14.681 | -14.681 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 143 | GLN | 0 | 0.031 | 0.005 | 20.207 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 144 | GLU | -1 | -0.789 | -0.889 | 14.230 | -20.937 | -20.937 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 145 | ILE | 0 | -0.034 | -0.013 | 12.921 | 0.653 | 0.653 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 146 | PHE | 0 | 0.034 | 0.005 | 10.682 | -1.581 | -1.581 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 147 | ASN | 0 | -0.007 | -0.025 | 9.250 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 148 | VAL | 0 | 0.082 | 0.051 | 9.335 | 2.863 | 2.863 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 149 | VAL | 0 | -0.029 | -0.007 | 9.746 | -2.952 | -2.952 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 150 | LEU | 0 | 0.018 | 0.032 | 11.896 | 2.181 | 2.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 151 | LYS | 1 | 0.879 | 0.934 | 13.903 | 18.085 | 18.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 152 | THR | 0 | 0.078 | 0.055 | 16.704 | 0.723 | 0.723 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 153 | ILE | 0 | -0.073 | -0.040 | 19.043 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 154 | THR | 0 | 0.019 | 0.004 | 22.367 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 155 | GLU | -1 | -0.932 | -0.965 | 24.686 | -10.460 | -10.460 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 156 | SER | 0 | 0.023 | 0.005 | 28.481 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 157 | ALA | 0 | 0.029 | 0.027 | 30.651 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 158 | THR | 0 | -0.026 | -0.004 | 32.530 | 0.392 | 0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 159 | SER | 0 | -0.002 | -0.017 | 35.338 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 160 | PRO | 0 | -0.010 | 0.003 | 35.603 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 161 | PRO | 0 | 0.010 | -0.001 | 33.584 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 162 | THR | 0 | -0.042 | -0.014 | 29.317 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 163 | LYS | 1 | 0.955 | 0.975 | 26.564 | 11.047 | 11.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 164 | ILE | 0 | 0.023 | 0.019 | 22.797 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 165 | TYR | 0 | -0.002 | -0.012 | 20.270 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 166 | ASN | 0 | -0.005 | -0.007 | 17.407 | 0.411 | 0.411 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 167 | ASN | 0 | 0.021 | -0.003 | 11.904 | 1.636 | 1.636 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 168 | ASP | -1 | -0.783 | -0.877 | 13.556 | -21.893 | -21.893 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 169 | LEU | 0 | -0.047 | -0.041 | 8.328 | -1.328 | -1.328 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 170 | THR | 0 | -0.029 | -0.009 | 8.354 | -3.830 | -3.830 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 171 | ALA | 0 | 0.021 | 0.034 | 10.467 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 172 | SER | 0 | -0.032 | -0.046 | 11.151 | -2.344 | -2.344 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 173 | LEU | 0 | -0.014 | 0.004 | 12.690 | 1.945 | 1.945 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 174 | MET | 0 | -0.014 | 0.001 | 14.130 | -0.813 | -0.813 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 175 | VAL | 0 | 0.000 | -0.002 | 14.983 | 0.654 | 0.654 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 176 | ALA | 0 | 0.018 | 0.011 | 17.514 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 177 | LEU | 0 | 0.018 | 0.017 | 20.552 | 0.385 | 0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 178 | ASP | -1 | -0.729 | -0.859 | 22.316 | -10.993 | -10.993 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 179 | THR | 0 | -0.070 | -0.040 | 24.144 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 180 | ASN | 0 | -0.002 | -0.011 | 26.439 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 181 | ASN | 0 | -0.105 | -0.054 | 29.323 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 182 | THR | 0 | -0.008 | -0.016 | 29.825 | 0.453 | 0.453 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 183 | LEU | 0 | -0.042 | -0.016 | 27.625 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 184 | PRO | 0 | -0.032 | -0.015 | 31.871 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 185 | TYR | 0 | 0.014 | 0.018 | 31.165 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 186 | THR | 0 | -0.019 | -0.019 | 31.635 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 187 | PRO | 0 | -0.017 | 0.006 | 31.922 | -0.372 | -0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 188 | ALA | 0 | 0.057 | 0.009 | 30.851 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 189 | ALA | 0 | -0.006 | 0.009 | 32.879 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 190 | PRO | 0 | -0.024 | -0.012 | 34.887 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 191 | ARG | 1 | 0.929 | 0.963 | 36.136 | 8.401 | 8.401 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 192 | SER | 0 | -0.009 | -0.008 | 34.910 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 193 | GLU | -1 | -0.773 | -0.845 | 31.685 | -9.842 | -9.842 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 194 | THR | 0 | -0.040 | -0.008 | 29.276 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 195 | LEU | 0 | 0.020 | 0.019 | 22.913 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 196 | GLY | 0 | 0.018 | -0.006 | 27.211 | 0.409 | 0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 197 | PHE | 0 | -0.023 | -0.011 | 28.078 | -0.275 | -0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 198 | TYR | 0 | 0.021 | -0.006 | 28.843 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 199 | PRO | 0 | -0.024 | -0.010 | 25.413 | -0.363 | -0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 200 | TRP | 0 | -0.008 | -0.003 | 24.218 | -0.642 | -0.642 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 201 | LEU | 0 | -0.020 | -0.006 | 26.043 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 202 | PRO | 0 | -0.039 | -0.019 | 22.682 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 203 | THR | 0 | 0.061 | 0.045 | 23.325 | 0.811 | 0.811 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 204 | LYS | 1 | 0.821 | 0.913 | 23.351 | 12.345 | 12.345 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 205 | PRO | 0 | -0.007 | 0.021 | 22.142 | 0.302 | 0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 206 | THR | 0 | -0.021 | -0.023 | 25.096 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 207 | GLN | 0 | 0.045 | 0.020 | 27.637 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 208 | TYR | 0 | 0.000 | -0.019 | 28.047 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 209 | ARG | 1 | 0.784 | 0.857 | 29.783 | 9.635 | 9.635 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 210 | TYR | 0 | -0.003 | 0.007 | 32.649 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 211 | TYR | 0 | 0.023 | 0.012 | 35.885 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 212 | LEU | 0 | -0.013 | -0.002 | 39.365 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 213 | SER | 0 | 0.023 | 0.017 | 41.398 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 214 | CYS | 0 | -0.033 | 0.013 | 45.055 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 215 | ILE | 0 | 0.002 | 0.008 | 47.681 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 216 | ARG | 1 | 0.780 | 0.855 | 50.677 | 6.278 | 6.278 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 217 | ASN | 0 | -0.074 | -0.015 | 52.535 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 218 | LEU | 0 | 0.073 | 0.027 | 54.351 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 219 | ASN | 0 | -0.020 | 0.030 | 57.512 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 220 | PRO | 0 | -0.016 | -0.020 | 61.187 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 221 | PRO | 0 | 0.074 | 0.014 | 61.481 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 222 | THR | 0 | -0.045 | -0.042 | 62.519 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 223 | TYR | 0 | -0.003 | -0.015 | 63.460 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 224 | THR | 0 | 0.024 | -0.012 | 63.579 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 225 | GLY | 0 | -0.001 | 0.014 | 64.709 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 226 | GLN | 0 | -0.031 | 0.002 | 67.105 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 227 | SER | 0 | 0.029 | 0.010 | 67.487 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 228 | GLN | 0 | -0.008 | -0.023 | 66.199 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 229 | GLN | 0 | -0.022 | 0.002 | 64.631 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 230 | ILE | 0 | -0.005 | 0.003 | 60.358 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 231 | THR | 0 | -0.054 | -0.024 | 59.326 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 232 | ASP | -1 | -0.781 | -0.863 | 54.344 | -6.103 | -6.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 233 | SER | 0 | -0.026 | -0.018 | 54.228 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 234 | ILE | 0 | 0.026 | 0.018 | 47.394 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 235 | GLN | 0 | -0.016 | 0.001 | 50.113 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 236 | THR | 0 | -0.007 | -0.013 | 44.205 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 237 | GLY | 0 | -0.004 | 0.004 | 46.814 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 238 | LEU | 0 | 0.038 | 0.021 | 48.475 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 239 | HIS | 0 | 0.025 | 0.008 | 47.382 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 240 | SER | 0 | -0.068 | -0.056 | 46.361 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 241 | ASP | -1 | -0.843 | -0.899 | 45.486 | -6.812 | -6.812 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 242 | ILE | 0 | -0.098 | -0.050 | 41.498 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 243 | MET | 0 | 0.022 | 0.024 | 38.818 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 244 | PHE | 0 | -0.039 | -0.024 | 33.941 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 245 | TYR | 0 | 0.052 | 0.015 | 32.456 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 246 | THR | 0 | -0.053 | -0.033 | 28.786 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 247 | ILE | 0 | 0.020 | 0.017 | 24.027 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 248 | GLU | -1 | -0.775 | -0.880 | 23.993 | -12.681 | -12.681 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 249 | ASN | 0 | -0.056 | -0.030 | 25.764 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 250 | ALA | 0 | -0.022 | 0.002 | 27.762 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 251 | VAL | 0 | -0.024 | -0.008 | 22.610 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 252 | PRO | 0 | -0.025 | 0.002 | 20.525 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 253 | ILE | 0 | -0.009 | -0.011 | 17.965 | -0.345 | -0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 254 | HIS | 0 | 0.004 | 0.007 | 14.086 | -1.441 | -1.441 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 255 | LEU | 0 | -0.023 | -0.018 | 13.120 | 0.691 | 0.691 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 256 | LEU | 0 | 0.005 | 0.009 | 9.801 | -1.667 | -1.667 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 257 | ARG | 1 | 0.919 | 0.947 | 6.520 | 34.073 | 34.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 258 | THR | 0 | -0.060 | -0.056 | 5.929 | -2.152 | -2.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 261 | GLU | -1 | -0.957 | -0.992 | 6.363 | -24.777 | -24.777 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 262 | PHE | 0 | 0.005 | 0.002 | 9.458 | 0.808 | 0.808 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 263 | SER | 0 | 0.029 | 0.024 | 13.099 | 0.989 | 0.989 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 264 | THR | 0 | -0.067 | -0.027 | 15.879 | 0.679 | 0.679 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 265 | GLY | 0 | 0.035 | 0.016 | 19.347 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 266 | ILE | 0 | -0.007 | -0.011 | 21.670 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 267 | TYR | 0 | -0.025 | -0.030 | 24.385 | 0.348 | 0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 268 | HIS | 0 | 0.024 | -0.008 | 27.294 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 269 | PHE | 0 | -0.006 | -0.007 | 30.148 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 270 | ASP | -1 | -0.848 | -0.894 | 33.844 | -7.915 | -7.915 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 271 | THR | 0 | -0.002 | -0.015 | 36.483 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 272 | LYS | 1 | 0.923 | 0.953 | 38.987 | 7.307 | 7.307 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 273 | PRO | 0 | 0.011 | 0.014 | 41.651 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 274 | LEU | 0 | 0.017 | 0.012 | 40.446 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 275 | LYS | 1 | 0.869 | 0.927 | 43.455 | 6.680 | 6.680 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 276 | LEU | 0 | 0.014 | 0.005 | 41.362 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 277 | THR | 0 | 0.017 | -0.001 | 45.877 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 278 | HIS | 0 | 0.030 | 0.039 | 49.688 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 279 | SER | 0 | -0.022 | 0.002 | 52.452 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 280 | TRP | 0 | 0.050 | 0.002 | 55.642 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 281 | GLN | 0 | -0.021 | -0.014 | 58.699 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 282 | THR | 0 | 0.134 | 0.060 | 60.852 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 283 | ASN | 0 | 0.016 | -0.021 | 63.078 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 284 | ARG | 1 | 0.932 | 0.971 | 66.101 | 4.658 | 4.658 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 285 | SER | 0 | -0.043 | -0.011 | 64.414 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 286 | LEU | 0 | 0.017 | 0.017 | 62.451 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 287 | GLY | 0 | 0.030 | 0.012 | 66.397 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 288 | LEU | 0 | -0.026 | -0.007 | 68.854 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 289 | PRO | 0 | 0.023 | 0.010 | 70.839 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 290 | PRO | 0 | -0.012 | 0.008 | 73.416 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 291 | LYS | 1 | 0.948 | 0.966 | 77.163 | 3.982 | 3.982 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 292 | LEU | 0 | 0.033 | 0.009 | 77.654 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 293 | LEU | 0 | -0.075 | -0.045 | 81.016 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 294 | THR | 0 | -0.031 | -0.014 | 83.370 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 295 | GLU | -1 | -0.895 | -0.939 | 79.825 | -4.116 | -4.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 296 | PRO | 0 | 0.003 | -0.004 | 78.655 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 297 | THR | 0 | -0.012 | -0.004 | 81.823 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 298 | THR | 0 | -0.047 | -0.039 | 82.343 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 299 | GLU | -1 | -0.930 | -0.954 | 77.244 | -4.290 | -4.290 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 300 | GLY | 0 | 0.033 | 0.026 | 75.527 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 301 | ASP | -1 | -0.930 | -0.975 | 71.962 | -4.506 | -4.506 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 302 | GLN | 0 | -0.066 | -0.029 | 74.788 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 303 | HIS | 0 | -0.017 | 0.000 | 77.590 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 304 | PRO | 0 | 0.007 | 0.013 | 78.135 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 305 | GLY | 0 | 0.038 | 0.016 | 78.502 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 306 | THR | 0 | -0.051 | -0.027 | 80.283 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 307 | LEU | 0 | 0.004 | -0.006 | 77.759 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 308 | PRO | 0 | 0.031 | 0.018 | 82.150 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 309 | ALA | 0 | 0.068 | 0.038 | 84.288 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 310 | ALA | 0 | 0.022 | 0.004 | 83.840 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 311 | ASN | 0 | 0.026 | -0.009 | 84.865 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 312 | THR | 0 | -0.015 | 0.000 | 87.375 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 313 | ARG | 1 | 0.760 | 0.899 | 80.126 | 4.000 | 4.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 314 | LYS | 1 | 0.989 | 0.985 | 82.377 | 3.882 | 3.882 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 315 | GLY | 0 | 0.023 | 0.008 | 79.120 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 316 | TYR | 0 | -0.003 | 0.003 | 73.874 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 317 | HIS | 0 | 0.006 | 0.000 | 77.739 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 318 | GLN | 0 | -0.037 | -0.012 | 71.283 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 319 | THR | 0 | -0.030 | -0.022 | 76.636 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 320 | ILE | 0 | 0.051 | 0.017 | 79.615 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 321 | ASN | 0 | 0.023 | 0.044 | 81.493 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 322 | ASN | 0 | 0.027 | 0.004 | 83.664 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 323 | SER | 0 | -0.001 | -0.007 | 84.132 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 324 | TYR | 0 | 0.018 | 0.017 | 79.421 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 325 | THR | 0 | 0.021 | 0.008 | 77.455 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 326 | GLU | -1 | -0.834 | -0.925 | 73.077 | -4.489 | -4.489 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 327 | ALA | 0 | -0.038 | -0.019 | 72.681 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 328 | THR | 0 | -0.003 | -0.002 | 73.206 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 329 | ALA | 0 | 0.035 | 0.027 | 73.905 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 330 | ILE | 0 | -0.002 | -0.005 | 71.639 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 331 | ARG | 1 | 0.788 | 0.895 | 67.319 | 4.603 | 4.603 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 332 | PRO | 0 | -0.023 | -0.013 | 64.755 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 333 | ALA | 0 | 0.022 | 0.018 | 62.451 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 334 | GLN | 0 | -0.004 | 0.019 | 62.530 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 335 | VAL | 0 | 0.023 | 0.009 | 58.741 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 336 | GLY | 0 | 0.024 | 0.027 | 57.802 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 337 | TYR | 0 | -0.051 | -0.055 | 53.913 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 338 | ASN | 0 | 0.014 | 0.009 | 59.389 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 339 | THR | 0 | 0.052 | 0.016 | 55.590 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 340 | PRO | 0 | -0.029 | 0.001 | 58.895 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 341 | TYR | 0 | 0.049 | 0.013 | 58.259 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 342 | MET | 0 | 0.013 | -0.001 | 54.862 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 343 | ASN | 0 | -0.017 | 0.012 | 58.242 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 344 | PHE | 0 | 0.005 | 0.005 | 53.512 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 345 | GLU | -1 | -0.904 | -0.931 | 54.753 | -5.779 | -5.779 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 346 | TYR | 0 | -0.026 | -0.049 | 54.874 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 347 | SER | 0 | -0.019 | -0.011 | 52.456 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 348 | ASN | 0 | -0.035 | -0.024 | 51.080 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 349 | GLY | 0 | 0.055 | 0.033 | 48.619 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 350 | GLY | 0 | 0.013 | 0.006 | 49.558 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 351 | PRO | 0 | -0.003 | 0.006 | 52.098 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 352 | PHE | 0 | -0.042 | -0.022 | 50.194 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 353 | LEU | 0 | -0.006 | 0.009 | 51.123 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 354 | THR | 0 | 0.011 | -0.013 | 51.570 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 355 | PRO | 0 | -0.040 | -0.015 | 49.233 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 356 | ILE | 0 | 0.015 | -0.003 | 51.298 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 357 | VAL | 0 | -0.035 | -0.025 | 50.392 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 358 | PRO | 0 | 0.018 | 0.027 | 47.109 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 359 | THR | 0 | -0.086 | -0.060 | 50.351 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 360 | ALA | 0 | -0.026 | 0.001 | 52.876 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 361 | ASP | -1 | -0.839 | -0.916 | 54.416 | -5.712 | -5.712 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 362 | THR | 0 | -0.005 | -0.007 | 57.074 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 363 | GLN | 0 | -0.002 | -0.025 | 60.739 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 364 | TYR | 0 | -0.030 | -0.019 | 62.930 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 365 | ASN | 0 | -0.073 | -0.041 | 56.492 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 366 | ASP | -1 | -0.804 | -0.905 | 59.767 | -5.223 | -5.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 367 | ASP | -1 | -0.835 | -0.914 | 54.403 | -5.944 | -5.944 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 368 | GLU | -1 | -0.881 | -0.935 | 54.111 | -5.988 | -5.988 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 369 | PRO | 0 | -0.060 | -0.046 | 55.125 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 370 | ASN | 0 | -0.043 | -0.013 | 55.508 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 371 | GLY | 0 | 0.039 | 0.021 | 51.792 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 372 | ALA | 0 | -0.003 | 0.012 | 50.105 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 373 | ILE | 0 | 0.003 | 0.003 | 44.360 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 374 | ARG | 1 | 0.909 | 0.955 | 47.026 | 6.520 | 6.520 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 375 | PHE | 0 | -0.013 | -0.010 | 40.426 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 376 | THR | 0 | -0.001 | 0.001 | 40.836 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 377 | MET | 0 | -0.095 | -0.023 | 39.232 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 378 | ASP | -1 | -0.745 | -0.878 | 34.070 | -9.408 | -9.408 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 379 | TYR | 0 | -0.004 | -0.005 | 34.862 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 380 | GLN | 0 | -0.022 | 0.011 | 28.327 | -0.584 | -0.584 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 381 | HIS | 1 | 0.737 | 0.839 | 30.880 | 9.733 | 9.733 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 382 | GLY | 0 | 0.061 | 0.015 | 34.689 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 383 | HIS | 0 | -0.015 | -0.004 | 36.905 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 384 | LEU | 0 | -0.045 | -0.018 | 38.208 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 385 | THR | 0 | 0.029 | 0.021 | 33.544 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 386 | THR | 0 | 0.017 | -0.004 | 36.823 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 387 | SER | 0 | -0.065 | -0.012 | 39.194 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 388 | SER | 0 | 0.006 | 0.000 | 41.564 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 389 | GLN | 0 | -0.017 | 0.003 | 43.968 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 390 | GLU | -1 | -0.884 | -0.950 | 39.470 | -8.346 | -8.346 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 391 | LEU | 0 | -0.021 | -0.015 | 39.904 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 392 | GLU | -1 | -0.792 | -0.864 | 41.750 | -6.888 | -6.888 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 393 | ARG | 1 | 0.823 | 0.884 | 43.597 | 6.664 | 6.664 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 394 | TYR | 0 | 0.037 | 0.012 | 42.347 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 395 | THR | 0 | 0.035 | 0.003 | 46.883 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 396 | PHE | 0 | -0.032 | -0.006 | 45.700 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 397 | ASN | 0 | 0.001 | -0.010 | 47.980 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 398 | PRO | 0 | -0.026 | 0.007 | 48.229 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 399 | GLN | 0 | 0.040 | 0.005 | 49.599 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 400 | SER | 0 | -0.009 | -0.024 | 51.511 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 401 | LYS | 1 | 0.871 | 0.949 | 53.473 | 5.884 | 5.884 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 402 | CYS | 0 | -0.034 | -0.033 | 56.109 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 403 | GLY | 0 | 0.043 | 0.040 | 57.641 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 404 | ARG | 1 | 0.742 | 0.867 | 58.479 | 5.347 | 5.347 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 405 | ALA | 0 | 0.074 | 0.049 | 61.263 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 406 | PRO | 0 | -0.017 | -0.011 | 62.302 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 407 | LYS | 1 | 0.931 | 0.956 | 63.019 | 5.220 | 5.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 408 | GLN | 0 | -0.041 | -0.035 | 67.475 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 409 | GLN | 0 | -0.016 | 0.003 | 65.074 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 410 | PHE | 0 | -0.018 | -0.004 | 69.546 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 411 | ASN | 0 | -0.031 | -0.013 | 72.156 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 412 | GLN | 0 | -0.017 | -0.012 | 74.353 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 413 | GLN | 0 | 0.055 | 0.034 | 77.589 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 414 | ALA | 0 | 0.012 | 0.002 | 80.003 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 415 | PRO | 0 | -0.038 | -0.021 | 80.966 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 416 | LEU | 0 | -0.036 | -0.004 | 78.164 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 417 | ASN | 0 | 0.004 | -0.010 | 81.155 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 418 | LEU | 0 | -0.039 | -0.021 | 81.356 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 419 | GLU | -1 | -0.903 | -0.940 | 83.214 | -3.666 | -3.666 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 420 | ASN | 0 | 0.002 | -0.003 | 79.654 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 421 | THR | 0 | -0.012 | 0.000 | 83.106 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 422 | ASN | 0 | 0.008 | -0.003 | 82.512 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 423 | ASN | 0 | 0.017 | 0.001 | 82.250 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 424 | GLY | 0 | -0.024 | -0.009 | 81.835 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 425 | THR | 0 | -0.040 | -0.043 | 78.038 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 426 | LEU | 0 | -0.013 | 0.022 | 73.012 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 427 | LEU | 0 | 0.056 | 0.004 | 74.546 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 428 | PRO | 0 | -0.015 | -0.026 | 70.258 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 429 | SER | 0 | -0.039 | -0.022 | 70.573 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 430 | ASP | -1 | -0.806 | -0.885 | 73.204 | -4.245 | -4.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 431 | PRO | 0 | -0.027 | -0.029 | 72.873 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 432 | ILE | 0 | 0.018 | 0.021 | 70.060 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 433 | GLY | 0 | -0.007 | -0.003 | 71.853 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 434 | GLY | 0 | -0.015 | -0.011 | 73.172 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 435 | LYS | 1 | 0.913 | 0.954 | 69.480 | 4.683 | 4.683 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 436 | SER | 0 | 0.019 | -0.007 | 71.918 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 437 | ASN | 0 | -0.010 | 0.001 | 66.784 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 438 | MET | 0 | -0.006 | 0.023 | 63.849 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 439 | HIS | 0 | 0.060 | 0.026 | 67.742 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 440 | PHE | 0 | 0.033 | 0.009 | 67.719 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 441 | MET | 0 | -0.041 | -0.004 | 65.116 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 442 | ASN | 0 | -0.001 | 0.004 | 62.429 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 443 | THR | 0 | -0.031 | -0.017 | 62.892 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 444 | LEU | 0 | -0.065 | -0.018 | 64.582 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 445 | ASN | 0 | 0.046 | 0.018 | 59.354 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 446 | THR | 0 | -0.008 | -0.011 | 62.298 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 447 | TYR | 0 | 0.017 | 0.027 | 55.982 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 448 | GLY | 0 | 0.044 | 0.016 | 60.750 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 449 | PRO | 0 | -0.015 | -0.018 | 60.796 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 450 | LEU | 0 | 0.021 | 0.019 | 61.765 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 451 | THR | 0 | -0.028 | -0.002 | 57.680 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 452 | ALA | 0 | -0.017 | 0.006 | 57.604 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 453 | LEU | 0 | 0.017 | -0.001 | 52.834 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 454 | ASN | 0 | -0.028 | -0.017 | 51.129 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 455 | ASN | 0 | 0.010 | 0.000 | 44.301 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 456 | THR | 0 | 0.069 | 0.020 | 44.084 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 457 | ALA | 0 | -0.019 | 0.008 | 45.231 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 458 | PRO | 0 | 0.003 | -0.002 | 40.099 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 459 | VAL | 0 | 0.012 | 0.030 | 40.321 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 460 | PHE | 0 | 0.014 | 0.035 | 35.404 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 461 | PRO | 0 | 0.035 | 0.018 | 35.528 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 462 | ASN | 0 | 0.043 | -0.023 | 35.824 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 463 | GLY | 0 | 0.020 | 0.035 | 37.376 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 464 | GLN | 0 | -0.014 | -0.032 | 35.034 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 465 | ILE | 0 | -0.045 | -0.001 | 31.996 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 466 | TRP | 0 | 0.054 | -0.001 | 28.504 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 467 | ASP | -1 | -0.768 | -0.855 | 35.452 | -8.498 | -8.498 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 468 | LYS | 1 | 0.921 | 0.974 | 34.402 | 9.114 | 9.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 469 | GLU | -1 | -0.829 | -0.901 | 36.981 | -7.280 | -7.280 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 470 | LEU | 0 | -0.028 | -0.026 | 40.018 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 471 | ASP | -1 | -0.955 | -0.979 | 40.792 | -7.647 | -7.647 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 472 | THR | 0 | -0.009 | -0.022 | 42.885 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 473 | ASP | -1 | -0.919 | -0.960 | 46.705 | -6.578 | -6.578 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 474 | LEU | 0 | -0.058 | -0.022 | 49.164 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 475 | LYS | 1 | 0.962 | 1.002 | 42.431 | 7.420 | 7.420 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 476 | PRO | 0 | 0.030 | 0.016 | 45.716 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 477 | ARG | 1 | 0.896 | 0.939 | 47.332 | 5.954 | 5.954 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 478 | LEU | 0 | -0.042 | -0.016 | 45.851 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 479 | HIS | 1 | 0.793 | 0.861 | 41.094 | 7.741 | 7.741 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 480 | VAL | 0 | 0.051 | 0.030 | 44.494 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 481 | THR | 0 | 0.001 | -0.003 | 39.296 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 482 | ALA | 0 | -0.006 | 0.001 | 38.197 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 483 | PRO | 0 | -0.039 | 0.007 | 39.298 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 484 | PHE | 0 | -0.028 | -0.013 | 37.043 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 485 | VAL | 0 | -0.007 | -0.012 | 38.802 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 486 | CYS | 0 | -0.057 | -0.009 | 34.017 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 487 | LYS | 1 | 0.837 | 0.902 | 37.642 | 7.806 | 7.806 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 488 | ASN | 0 | 0.008 | 0.007 | 33.595 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 489 | ASN | 0 | 0.049 | 0.030 | 30.521 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 490 | PRO | 0 | 0.007 | 0.007 | 32.439 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 491 | PRO | 0 | -0.009 | 0.016 | 27.584 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 492 | GLY | 0 | 0.039 | 0.020 | 26.473 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 493 | GLN | 0 | 0.014 | 0.016 | 26.094 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 494 | LEU | 0 | -0.006 | 0.006 | 19.234 | -0.341 | -0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 495 | PHE | 0 | 0.013 | -0.007 | 22.533 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 496 | VAL | 0 | -0.005 | -0.006 | 17.924 | -0.847 | -0.847 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 497 | LYS | 1 | 0.917 | 0.968 | 19.311 | 14.393 | 14.393 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 498 | ILE | 0 | -0.034 | -0.008 | 17.019 | -1.015 | -1.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 499 | ALA | 0 | -0.001 | -0.002 | 16.264 | 0.881 | 0.881 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 500 | PRO | 0 | -0.004 | 0.002 | 18.179 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 501 | ASN | 0 | -0.024 | -0.023 | 17.044 | -0.408 | -0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 502 | LEU | 0 | -0.038 | -0.024 | 19.541 | 0.567 | 0.567 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 503 | THR | 0 | -0.031 | -0.009 | 21.553 | -0.361 | -0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 504 | ASP | -1 | -0.903 | -0.952 | 24.303 | -12.027 | -12.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 505 | ASP | -1 | -0.933 | -0.950 | 26.238 | -10.112 | -10.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 506 | PHE | 0 | -0.086 | -0.066 | 28.095 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 507 | ASN | 0 | -0.010 | -0.020 | 25.337 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 508 | ALA | 0 | 0.022 | 0.019 | 28.795 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 509 | ASP | -1 | -0.902 | -0.946 | 31.438 | -9.147 | -9.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 510 | SER | 0 | -0.052 | -0.027 | 33.020 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 511 | PRO | 0 | -0.025 | -0.021 | 34.483 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 512 | GLN | 0 | -0.028 | -0.018 | 30.206 | -0.501 | -0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 513 | GLN | 0 | 0.024 | 0.018 | 26.543 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 514 | PRO | 0 | 0.044 | 0.042 | 28.362 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 515 | ARG | 1 | 0.808 | 0.888 | 22.909 | 12.060 | 12.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 516 | ILE | 0 | 0.050 | 0.024 | 19.797 | 0.469 | 0.469 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 517 | ILE | 0 | 0.002 | 0.007 | 22.061 | -0.373 | -0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 518 | THR | 0 | 0.006 | -0.012 | 17.367 | -0.754 | -0.754 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 519 | TYR | 0 | -0.065 | -0.035 | 19.124 | 0.467 | 0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 520 | SER | 0 | -0.007 | -0.025 | 14.933 | -1.214 | -1.214 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 521 | ASN | 0 | -0.023 | -0.008 | 15.788 | 1.750 | 1.750 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 522 | PHE | 0 | 0.043 | 0.014 | 13.825 | -1.623 | -1.623 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 523 | TRP | 0 | 0.010 | 0.009 | 13.725 | 2.327 | 2.327 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 524 | TRP | 0 | 0.004 | 0.000 | 15.194 | -0.752 | -0.752 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 525 | LYS | 1 | 0.811 | 0.894 | 16.131 | 19.312 | 19.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 526 | GLY | 0 | 0.026 | 0.017 | 19.261 | -0.361 | -0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 527 | THR | 0 | -0.012 | -0.005 | 21.935 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 528 | LEU | 0 | -0.018 | 0.010 | 24.420 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 529 | THR | 0 | -0.029 | -0.015 | 27.995 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 530 | PHE | 0 | 0.024 | -0.007 | 30.331 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 531 | THR | 0 | -0.045 | -0.028 | 34.115 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 532 | ALA | 0 | 0.005 | 0.011 | 37.224 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 533 | LYS | 1 | 0.961 | 0.997 | 40.395 | 6.743 | 6.743 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 534 | MET | 0 | 0.032 | 0.026 | 43.472 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 535 | ARG | 1 | 0.871 | 0.948 | 45.548 | 6.580 | 6.580 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 536 | SER | 0 | -0.004 | -0.005 | 49.075 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 537 | SER | 0 | -0.023 | -0.011 | 52.263 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 538 | ASN | 0 | -0.027 | -0.030 | 55.599 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 539 | MET | 0 | -0.025 | 0.009 | 58.304 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 540 | TRP | 0 | 0.035 | 0.014 | 60.141 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 541 | ASN | 0 | -0.025 | -0.014 | 59.374 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 542 | PRO | 0 | 0.032 | 0.018 | 57.040 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 543 | ILE | 0 | -0.019 | -0.010 | 51.452 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 544 | GLN | 0 | 0.019 | 0.005 | 51.725 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 545 | GLN | 0 | -0.003 | -0.007 | 48.818 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 546 | HIS | 0 | -0.002 | 0.009 | 43.868 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 547 | THR | 0 | 0.025 | 0.003 | 47.424 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 548 | THR | 0 | -0.002 | 0.010 | 46.018 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 549 | THR | 0 | 0.023 | -0.008 | 48.055 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 550 | ALA | 0 | -0.004 | -0.016 | 49.813 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 551 | GLU | -1 | -0.911 | -0.955 | 51.674 | -5.918 | -5.918 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 552 | ASN | 0 | -0.017 | 0.002 | 47.404 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 553 | ILE | 0 | 0.059 | 0.029 | 44.524 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 554 | GLY | 0 | 0.002 | 0.010 | 43.734 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 555 | ASN | 0 | -0.041 | -0.045 | 42.712 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 556 | TYR | 0 | -0.094 | -0.067 | 39.839 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 557 | ILE | 0 | -0.027 | 0.004 | 39.199 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 558 | PRO | 0 | -0.025 | -0.004 | 36.681 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 559 | THR | 0 | 0.027 | 0.003 | 38.831 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 560 | ASN | 0 | 0.017 | 0.003 | 39.439 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 561 | ILE | 0 | -0.062 | -0.036 | 38.407 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 562 | GLY | 0 | 0.021 | 0.012 | 35.409 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 563 | GLY | 0 | -0.030 | -0.001 | 35.249 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 564 | ILE | 0 | -0.009 | -0.011 | 32.825 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 565 | ARG | 1 | 0.965 | 1.004 | 36.863 | 7.689 | 7.689 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 566 | MET | 0 | 0.005 | 0.007 | 33.350 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 567 | PHE | 0 | 0.005 | 0.009 | 37.908 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 568 | PRO | 0 | 0.021 | 0.014 | 41.008 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 569 | GLU | -1 | -0.827 | -0.902 | 42.273 | -7.494 | -7.494 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 570 | TYR | 0 | -0.013 | -0.006 | 44.157 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 571 | SER | 0 | 0.008 | -0.025 | 43.665 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 572 | GLN | 0 | -0.048 | -0.041 | 45.524 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 573 | LEU | 0 | 0.049 | 0.027 | 46.580 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 574 | ILE | 0 | 0.014 | 0.022 | 47.240 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 575 | PRO | 0 | -0.043 | -0.010 | 50.942 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 576 | ARG | 1 | 0.833 | 0.895 | 51.323 | 6.237 | 6.237 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 577 | LYS | 1 | 0.924 | 0.965 | 55.099 | 5.498 | 5.498 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 578 | LEU | 0 | -0.036 | -0.031 | 56.747 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 579 | TYR | -1 | -0.882 | -0.920 | 58.773 | -5.142 | -5.142 | 0.000 | 0.000 | 0.000 | 0.000 |