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: 761KK
Calculation Name: 1CII-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 1CII
Chain ID: A
UniProt ID: P06716
Base Structure: X-ray
Registration Date: 2023-09-24
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptAll |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Structure Preparation |
| Water | No |
| Procedure | Auto-FMO protocol ver. 2.20220422 |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 602 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -9654185.834128 |
|---|---|
| FMO2-HF: Nuclear repulsion | 9422391.434581 |
| FMO2-HF: Total energy | -231794.399546 |
| FMO2-MP2: Total energy | -232483.429682 |
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:23:GLU)
Summations of interaction energy for
fragment #1(A:23:GLU)
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| -235.208 | -241.439 | 39.709 | -19.172 | -14.306 | 0.177 |
Interaction energy analysis for fragmet #1(A:23:GLU)
| frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 3 | A | 25 | MET | 0 | -0.004 | 0.017 | 1.897 | -31.185 | -29.609 | 8.675 | -5.067 | -5.184 | 0.056 |
| 4 | A | 26 | ALA | 0 | -0.008 | -0.010 | 3.452 | -1.367 | -1.360 | 0.018 | 0.496 | -0.522 | 0.002 |
| 5 | A | 27 | VAL | 0 | -0.030 | -0.010 | 4.088 | -3.290 | -2.816 | 0.005 | -0.099 | -0.381 | 0.000 |
| 6 | A | 28 | ASP | -1 | -0.797 | -0.864 | 6.807 | 27.534 | 27.534 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 29 | ILE | 0 | 0.028 | 0.025 | 9.540 | -2.893 | -2.893 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 30 | TYR | 0 | -0.050 | -0.021 | 7.444 | 1.388 | 1.388 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 31 | VAL | 0 | -0.016 | -0.014 | 10.640 | -2.539 | -2.539 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 32 | ASN | 0 | -0.091 | -0.062 | 13.172 | -0.641 | -0.641 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 33 | PRO | 0 | 0.038 | 0.035 | 15.975 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 34 | PRO | 0 | -0.040 | -0.001 | 17.050 | -0.609 | -0.609 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 35 | ARG | 1 | 0.756 | 0.828 | 19.979 | -12.856 | -12.856 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 36 | VAL | 0 | -0.031 | -0.020 | 23.196 | -0.415 | -0.415 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 37 | ASP | -1 | -0.785 | -0.847 | 26.479 | 11.417 | 11.417 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 38 | VAL | 0 | 0.015 | 0.003 | 29.164 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 39 | PHE | 0 | 0.003 | 0.001 | 32.725 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 40 | HIS | 0 | -0.007 | 0.001 | 32.960 | -0.461 | -0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 41 | GLY | 0 | -0.011 | -0.016 | 37.862 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 42 | THR | 0 | -0.030 | -0.019 | 41.057 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 43 | PRO | 0 | -0.006 | -0.006 | 44.371 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 44 | PRO | 0 | -0.004 | 0.004 | 47.250 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 45 | ALA | 0 | -0.002 | 0.000 | 50.269 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 46 | TRP | 0 | -0.113 | -0.062 | 51.097 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 47 | SER | 0 | 0.011 | -0.025 | 55.877 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 48 | SER | 0 | -0.097 | -0.079 | 58.545 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 49 | PHE | 0 | 0.020 | 0.011 | 60.478 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 50 | GLY | 0 | 0.015 | 0.015 | 61.502 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 51 | ASN | 0 | -0.026 | -0.015 | 54.951 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 52 | LYS | 1 | 0.853 | 0.923 | 58.481 | -4.904 | -4.904 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 53 | THR | 0 | -0.063 | -0.021 | 56.641 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 54 | ILE | 0 | -0.003 | -0.015 | 59.659 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 55 | TRP | 0 | -0.030 | -0.024 | 54.974 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 56 | GLY | 0 | -0.009 | 0.011 | 60.287 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 57 | GLY | 0 | -0.021 | -0.020 | 61.345 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 58 | ASN | 0 | -0.001 | -0.025 | 64.481 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 59 | GLU | -1 | -0.948 | -0.967 | 67.321 | 4.767 | 4.767 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 60 | TRP | 0 | -0.064 | -0.025 | 69.668 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 61 | VAL | 0 | -0.026 | -0.015 | 70.093 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 62 | ASP | -1 | -0.855 | -0.912 | 72.271 | 4.384 | 4.384 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 63 | ASP | -1 | -0.865 | -0.890 | 67.713 | 4.867 | 4.867 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 64 | SER | 0 | -0.003 | -0.015 | 68.319 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 65 | PRO | 0 | -0.063 | -0.014 | 65.128 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 66 | THR | 0 | 0.029 | -0.018 | 67.228 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 67 | ARG | 1 | 0.971 | 0.961 | 67.112 | -4.575 | -4.575 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 68 | SER | 0 | 0.017 | 0.001 | 66.115 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 69 | ASP | -1 | -0.800 | -0.880 | 64.090 | 5.098 | 5.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 70 | ILE | 0 | 0.021 | 0.011 | 62.361 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 71 | GLU | -1 | -0.848 | -0.913 | 61.218 | 5.189 | 5.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 72 | LYS | 1 | 0.874 | 0.940 | 60.381 | -5.138 | -5.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 73 | ARG | 1 | 0.942 | 0.965 | 56.748 | -5.550 | -5.550 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 74 | ASP | -1 | -0.777 | -0.863 | 56.577 | 5.604 | 5.604 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 75 | LYS | 1 | 0.823 | 0.917 | 55.480 | -5.208 | -5.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 76 | GLU | -1 | -0.737 | -0.818 | 53.966 | 5.941 | 5.941 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 77 | ILE | 0 | 0.030 | 0.021 | 52.028 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 78 | THR | 0 | -0.053 | -0.040 | 50.793 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 79 | ALA | 0 | 0.008 | 0.009 | 49.870 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 80 | TYR | 0 | 0.027 | 0.023 | 45.430 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 81 | LYS | 1 | 0.856 | 0.889 | 46.154 | -6.227 | -6.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 82 | ASN | 0 | -0.055 | -0.043 | 45.272 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 83 | THR | 0 | -0.031 | -0.015 | 42.778 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 84 | LEU | 0 | 0.010 | 0.001 | 41.533 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 85 | SER | 0 | -0.016 | -0.010 | 40.543 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 86 | ALA | 0 | -0.049 | -0.018 | 39.983 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 87 | GLN | 0 | 0.035 | 0.017 | 36.672 | 0.361 | 0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 88 | GLN | 0 | 0.051 | 0.041 | 35.021 | 0.288 | 0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 89 | LYS | 1 | 0.928 | 0.972 | 35.445 | -7.543 | -7.543 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 90 | GLU | -1 | -0.860 | -0.933 | 33.331 | 9.291 | 9.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 91 | ASN | 0 | -0.005 | -0.002 | 31.546 | 0.666 | 0.666 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 92 | GLU | -1 | -0.763 | -0.871 | 30.626 | 10.111 | 10.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 93 | ASN | 0 | -0.061 | -0.023 | 30.050 | 0.429 | 0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 94 | LYS | 1 | 0.873 | 0.940 | 26.872 | -9.937 | -9.937 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 95 | ARG | 1 | 0.824 | 0.895 | 25.811 | -9.898 | -9.898 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 96 | THR | 0 | -0.014 | -0.024 | 26.320 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 97 | GLU | -1 | -0.808 | -0.895 | 22.058 | 14.363 | 14.363 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 98 | ALA | 0 | 0.018 | 0.010 | 21.713 | 0.705 | 0.705 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 99 | GLY | 0 | 0.047 | 0.025 | 21.757 | 0.553 | 0.553 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 100 | LYS | 1 | 0.859 | 0.925 | 21.485 | -12.381 | -12.381 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 101 | ARG | 1 | 0.832 | 0.908 | 17.692 | -15.498 | -15.498 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 102 | LEU | 0 | 0.007 | 0.010 | 17.433 | 0.968 | 0.968 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 103 | SER | 0 | -0.016 | -0.014 | 18.703 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 104 | ALA | 0 | -0.012 | -0.005 | 15.564 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 105 | ALA | 0 | -0.027 | -0.013 | 14.076 | 1.161 | 1.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 106 | ILE | 0 | 0.003 | 0.010 | 14.756 | 0.778 | 0.778 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 107 | ALA | 0 | 0.025 | 0.021 | 16.084 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 108 | ALA | 0 | -0.036 | -0.019 | 10.833 | 0.558 | 0.558 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 109 | ARG | 1 | 0.786 | 0.884 | 12.368 | -15.611 | -15.611 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 110 | GLU | -1 | -0.851 | -0.939 | 14.192 | 15.040 | 15.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 111 | LYS | 1 | 0.865 | 0.928 | 7.620 | -29.890 | -29.890 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 112 | ASP | -1 | -0.800 | -0.892 | 9.000 | 30.685 | 30.685 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 113 | GLU | -1 | -0.773 | -0.858 | 11.894 | 15.203 | 15.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 114 | ASN | 0 | -0.021 | -0.019 | 15.440 | -1.176 | -1.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 115 | THR | 0 | -0.030 | -0.022 | 10.235 | -0.418 | -0.418 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 116 | LEU | 0 | -0.031 | -0.011 | 13.642 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 117 | LYS | 1 | 0.867 | 0.927 | 14.668 | -15.157 | -15.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 118 | THR | 0 | -0.002 | -0.005 | 16.199 | -0.429 | -0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 119 | LEU | 0 | -0.004 | 0.009 | 11.496 | -0.540 | -0.540 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 120 | ARG | 1 | 0.848 | 0.895 | 15.558 | -16.325 | -16.325 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 121 | ALA | 0 | -0.011 | 0.003 | 18.361 | -0.595 | -0.595 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 122 | GLY | 0 | -0.021 | -0.009 | 18.959 | -0.597 | -0.597 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 123 | ASN | 0 | -0.097 | -0.046 | 19.860 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 124 | ALA | 0 | 0.016 | 0.018 | 14.713 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 125 | ASP | -1 | -0.853 | -0.934 | 14.109 | 16.601 | 16.601 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 126 | ALA | 0 | 0.067 | 0.031 | 14.452 | 0.984 | 0.984 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 127 | ALA | 0 | -0.014 | 0.017 | 12.761 | 0.885 | 0.885 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 128 | ASP | -1 | -0.850 | -0.943 | 9.189 | 24.993 | 24.993 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 129 | ILE | 0 | -0.024 | -0.010 | 10.283 | 1.738 | 1.738 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 130 | THR | 0 | -0.011 | -0.022 | 12.478 | 0.678 | 0.678 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 131 | ARG | 1 | 0.802 | 0.872 | 7.257 | -24.326 | -24.326 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 132 | GLN | 0 | -0.030 | -0.004 | 8.659 | 5.489 | 5.489 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 133 | GLU | -1 | -0.820 | -0.908 | 9.922 | 17.909 | 17.909 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 134 | PHE | 0 | 0.007 | 0.000 | 6.847 | -0.680 | -0.680 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 135 | ARG | 1 | 0.880 | 0.947 | 3.134 | -47.502 | -45.775 | 0.104 | -0.937 | -0.894 | 0.011 |
| 114 | A | 136 | LEU | 0 | -0.008 | -0.008 | 8.187 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 137 | LEU | 0 | 0.030 | 0.011 | 11.484 | -0.807 | -0.807 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 138 | GLN | 0 | -0.013 | -0.005 | 6.198 | 1.071 | 1.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 139 | ALA | 0 | -0.034 | -0.016 | 10.004 | -0.816 | -0.816 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 140 | GLU | -1 | -0.877 | -0.949 | 11.344 | 15.838 | 15.838 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 141 | LEU | 0 | -0.012 | 0.004 | 13.273 | -1.208 | -1.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 142 | ARG | 1 | 0.845 | 0.899 | 7.871 | -32.077 | -32.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 143 | GLU | -1 | -0.782 | -0.878 | 14.157 | 14.898 | 14.898 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 144 | TYR | 0 | -0.034 | -0.041 | 16.882 | -1.194 | -1.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 145 | GLY | 0 | 0.054 | 0.026 | 17.430 | -0.914 | -0.914 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 146 | PHE | 0 | 0.009 | -0.002 | 15.447 | -0.704 | -0.704 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 147 | ARG | 1 | 0.809 | 0.881 | 20.192 | -15.158 | -15.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 148 | THR | 0 | -0.005 | -0.015 | 21.628 | -0.830 | -0.830 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 149 | GLU | -1 | -0.868 | -0.944 | 21.140 | 14.621 | 14.621 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 150 | ILE | 0 | -0.075 | -0.030 | 24.138 | -0.607 | -0.607 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 151 | ALA | 0 | 0.002 | 0.000 | 26.559 | -0.532 | -0.532 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 152 | GLY | 0 | 0.068 | 0.037 | 27.465 | -0.427 | -0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 153 | TYR | 0 | -0.012 | -0.015 | 24.968 | -0.542 | -0.542 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 154 | ASP | -1 | -0.832 | -0.894 | 30.340 | 9.833 | 9.833 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 155 | ALA | 0 | 0.008 | 0.009 | 32.155 | -0.379 | -0.379 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 156 | LEU | 0 | -0.040 | -0.022 | 30.970 | -0.380 | -0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 157 | ARG | 1 | 0.799 | 0.890 | 34.483 | -8.902 | -8.902 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 158 | LEU | 0 | -0.007 | 0.000 | 36.241 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 159 | HIS | 0 | 0.001 | -0.024 | 36.278 | -0.490 | -0.490 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 160 | THR | 0 | -0.030 | -0.017 | 37.962 | -0.275 | -0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 161 | GLU | -1 | -0.836 | -0.909 | 40.489 | 7.836 | 7.836 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 162 | SER | 0 | -0.031 | -0.019 | 42.344 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 163 | ARG | 1 | 0.885 | 0.940 | 42.658 | -7.544 | -7.544 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 164 | MET | 0 | -0.063 | -0.025 | 43.143 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 165 | LEU | 0 | 0.020 | 0.019 | 46.262 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 166 | PHE | 0 | 0.018 | -0.016 | 46.612 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 167 | ALA | 0 | -0.017 | -0.002 | 49.256 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 168 | ASP | -1 | -0.780 | -0.878 | 51.022 | 6.218 | 6.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 169 | ALA | 0 | -0.015 | -0.005 | 52.759 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 170 | ASP | -1 | -0.779 | -0.868 | 53.981 | 5.917 | 5.917 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 171 | SER | 0 | -0.024 | -0.029 | 56.425 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 172 | LEU | 0 | -0.032 | -0.013 | 57.979 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 173 | ARG | 1 | 0.807 | 0.876 | 60.078 | -5.450 | -5.450 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 174 | ILE | 0 | -0.051 | 0.005 | 57.771 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 175 | SER | 0 | 0.066 | 0.029 | 61.884 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 176 | PRO | 0 | 0.105 | 0.043 | 62.038 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 177 | ARG | 1 | 0.853 | 0.914 | 59.385 | -5.360 | -5.360 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 178 | GLU | -1 | -0.803 | -0.879 | 56.803 | 5.794 | 5.794 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 179 | ALA | 0 | 0.024 | 0.014 | 57.576 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 180 | ARG | 1 | 0.944 | 0.954 | 56.612 | -5.389 | -5.389 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 181 | SER | 0 | -0.075 | -0.044 | 55.941 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 182 | LEU | 0 | 0.017 | 0.004 | 52.934 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 183 | ILE | 0 | 0.027 | 0.018 | 51.770 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 184 | GLU | -1 | -0.793 | -0.868 | 51.224 | 6.033 | 6.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 185 | GLN | 0 | -0.096 | -0.054 | 49.620 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 186 | ALA | 0 | 0.002 | 0.005 | 47.541 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 187 | GLU | -1 | -0.892 | -0.958 | 46.463 | 6.534 | 6.534 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 188 | LYS | 1 | 0.814 | 0.903 | 46.131 | -6.122 | -6.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 189 | ARG | 1 | 0.826 | 0.905 | 41.458 | -7.529 | -7.529 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 190 | GLN | 0 | 0.054 | 0.013 | 42.052 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 191 | LYS | 1 | 0.929 | 0.976 | 41.468 | -7.185 | -7.185 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 192 | ASP | -1 | -0.827 | -0.903 | 40.025 | 7.899 | 7.899 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 193 | ALA | 0 | 0.002 | -0.001 | 37.575 | 0.288 | 0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 194 | GLN | 0 | 0.025 | 0.020 | 36.652 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 195 | ASN | 0 | -0.035 | -0.025 | 36.952 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 196 | ALA | 0 | -0.018 | 0.003 | 33.776 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 197 | ASP | -1 | -0.804 | -0.895 | 32.370 | 9.651 | 9.651 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 198 | LYS | 1 | 0.782 | 0.876 | 31.909 | -9.364 | -9.364 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 199 | LYS | 1 | 0.949 | 0.979 | 29.255 | -10.410 | -10.410 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 200 | ALA | 0 | 0.015 | -0.001 | 28.088 | 0.411 | 0.411 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 201 | ALA | 0 | 0.018 | 0.012 | 27.103 | 0.533 | 0.533 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 202 | ASP | -1 | -0.799 | -0.877 | 27.499 | 10.571 | 10.571 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 203 | MET | 0 | -0.079 | -0.020 | 23.997 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 204 | LEU | 0 | 0.059 | 0.030 | 21.784 | 0.725 | 0.725 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 205 | ALA | 0 | 0.007 | 0.005 | 22.677 | 0.612 | 0.612 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 206 | GLU | -1 | -0.800 | -0.877 | 22.351 | 14.192 | 14.192 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 207 | TYR | 0 | 0.023 | 0.009 | 14.567 | 0.845 | 0.845 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 208 | GLU | -1 | -0.794 | -0.886 | 17.837 | 18.995 | 18.995 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 209 | ARG | 1 | 0.829 | 0.912 | 19.253 | -12.448 | -12.448 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 210 | ARG | 1 | 0.807 | 0.889 | 17.434 | -15.522 | -15.522 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 211 | LYS | 1 | 0.855 | 0.910 | 13.726 | -18.786 | -18.786 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 212 | GLY | 0 | 0.054 | 0.042 | 15.258 | 0.953 | 0.953 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 213 | ILE | 0 | -0.031 | -0.007 | 17.397 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 214 | LEU | 0 | -0.006 | -0.002 | 11.515 | 0.455 | 0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 215 | ASP | -1 | -0.838 | -0.932 | 12.985 | 23.862 | 23.862 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 216 | THR | 0 | -0.078 | -0.039 | 14.140 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 217 | ARG | 1 | 0.891 | 0.927 | 13.593 | -18.108 | -18.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 218 | LEU | 0 | -0.005 | 0.003 | 8.542 | 0.671 | 0.671 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 219 | SER | 0 | 0.001 | -0.013 | 11.872 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 220 | GLU | -1 | -0.916 | -0.958 | 14.927 | 16.673 | 16.673 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 221 | LEU | 0 | -0.018 | -0.005 | 8.963 | -0.751 | -0.751 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 222 | GLU | -1 | -0.781 | -0.876 | 11.397 | 26.539 | 26.539 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 223 | LYS | 1 | 0.910 | 0.971 | 13.636 | -17.878 | -17.878 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 224 | ASN | 0 | -0.030 | -0.016 | 14.128 | -0.494 | -0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 225 | GLY | 0 | 0.069 | 0.043 | 12.965 | -0.632 | -0.632 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 226 | GLY | 0 | 0.026 | 0.010 | 13.821 | -0.599 | -0.599 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 227 | ALA | 0 | -0.038 | -0.022 | 16.672 | -0.886 | -0.886 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 228 | ALA | 0 | 0.007 | -0.004 | 15.459 | -0.805 | -0.805 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 229 | LEU | 0 | 0.014 | 0.000 | 14.748 | -0.667 | -0.667 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 230 | ALA | 0 | 0.017 | 0.023 | 17.385 | -0.734 | -0.734 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 231 | VAL | 0 | -0.013 | -0.005 | 20.573 | -0.728 | -0.728 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 232 | LEU | 0 | -0.007 | 0.007 | 16.657 | -0.547 | -0.547 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 233 | ASP | -1 | -0.743 | -0.884 | 20.261 | 13.946 | 13.946 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 234 | ALA | 0 | 0.000 | -0.006 | 22.287 | -0.550 | -0.550 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 235 | GLN | 0 | -0.047 | -0.026 | 23.185 | -1.005 | -1.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 236 | GLN | 0 | 0.011 | 0.000 | 22.045 | -0.694 | -0.694 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 237 | ALA | 0 | 0.003 | 0.017 | 25.577 | -0.394 | -0.394 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 238 | ARG | 1 | 0.897 | 0.941 | 27.480 | -10.586 | -10.586 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 239 | LEU | 0 | 0.026 | 0.015 | 26.648 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 240 | LEU | 0 | 0.025 | 0.023 | 27.543 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 241 | GLY | 0 | 0.002 | 0.005 | 31.129 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 242 | GLN | 0 | -0.087 | -0.050 | 32.934 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 243 | GLN | 0 | 0.017 | 0.000 | 31.287 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 244 | THR | 0 | -0.022 | -0.018 | 34.503 | -0.283 | -0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 245 | ARG | 1 | 0.932 | 0.973 | 36.807 | -8.239 | -8.239 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 246 | ASN | 0 | -0.032 | -0.022 | 37.130 | -0.261 | -0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 247 | ASP | -1 | -0.791 | -0.896 | 37.432 | 7.785 | 7.785 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 248 | ARG | 1 | 0.826 | 0.901 | 39.911 | -6.791 | -6.791 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 249 | ALA | 0 | 0.050 | 0.022 | 42.452 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 250 | ILE | 0 | -0.035 | -0.018 | 40.475 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 251 | SER | 0 | -0.036 | -0.027 | 43.742 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 252 | GLU | -1 | -0.829 | -0.888 | 46.038 | 6.313 | 6.313 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 253 | ALA | 0 | 0.005 | 0.002 | 46.590 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 254 | ARG | 1 | 0.961 | 0.981 | 45.881 | -6.600 | -6.600 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 255 | ASN | 0 | 0.007 | 0.003 | 49.041 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 256 | LYS | 1 | 0.881 | 0.941 | 51.701 | -5.814 | -5.814 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 257 | LEU | 0 | 0.007 | -0.008 | 50.096 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 258 | SER | 0 | 0.019 | 0.030 | 53.167 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 259 | SER | 0 | 0.049 | 0.009 | 55.115 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 260 | VAL | 0 | -0.031 | 0.006 | 56.460 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 261 | THR | 0 | 0.006 | -0.013 | 55.754 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 262 | GLU | -1 | -0.892 | -0.924 | 58.493 | 5.035 | 5.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 263 | SER | 0 | -0.003 | -0.011 | 61.063 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 264 | LEU | 0 | -0.040 | -0.014 | 59.315 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 265 | ASN | 0 | -0.046 | -0.033 | 60.547 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 266 | THR | 0 | 0.030 | 0.023 | 64.183 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 267 | ALA | 0 | -0.013 | -0.005 | 66.165 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 268 | ARG | 1 | 0.982 | 1.000 | 63.230 | -4.836 | -4.836 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 269 | ASN | 0 | -0.019 | -0.005 | 67.748 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 270 | ALA | 0 | 0.001 | 0.000 | 70.100 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 271 | LEU | 0 | -0.003 | -0.002 | 69.779 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 272 | THR | 0 | -0.010 | -0.014 | 70.588 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 273 | ARG | 1 | 0.940 | 0.970 | 73.175 | -4.072 | -4.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 274 | ALA | 0 | 0.010 | 0.012 | 75.673 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 275 | GLU | -1 | -0.782 | -0.899 | 73.529 | 4.167 | 4.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 276 | GLN | 0 | -0.013 | 0.007 | 76.199 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 277 | GLN | 0 | -0.004 | 0.005 | 79.058 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 278 | LEU | 0 | -0.001 | -0.010 | 79.209 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 279 | THR | 0 | -0.020 | -0.023 | 79.714 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 280 | GLN | 0 | -0.013 | -0.006 | 82.430 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 281 | GLN | 0 | 0.023 | 0.010 | 85.246 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 282 | LYS | 1 | 0.871 | 0.927 | 82.112 | -3.810 | -3.810 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 283 | ASN | 0 | -0.045 | -0.030 | 84.987 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 284 | THR | 0 | 0.058 | 0.042 | 88.409 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 285 | PRO | 0 | 0.006 | 0.011 | 91.495 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 286 | ASP | -1 | -0.759 | -0.862 | 94.506 | 3.223 | 3.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 287 | GLY | 0 | 0.019 | 0.005 | 90.843 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 288 | LYS | 1 | 0.823 | 0.904 | 89.077 | -3.468 | -3.468 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 289 | THR | 0 | 0.010 | 0.008 | 91.371 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 290 | ILE | 0 | -0.040 | -0.014 | 89.771 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 291 | VAL | 0 | -0.031 | -0.013 | 86.510 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 292 | SER | 0 | -0.038 | -0.017 | 88.715 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 293 | PRO | 0 | 0.036 | 0.034 | 91.349 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 294 | GLU | -1 | -0.806 | -0.914 | 92.765 | 3.343 | 3.343 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 295 | LYS | 1 | 0.875 | 0.951 | 87.980 | -3.541 | -3.541 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 296 | PHE | 0 | -0.046 | -0.032 | 89.881 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 297 | PRO | 0 | 0.061 | 0.052 | 95.235 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 298 | GLY | 0 | 0.045 | 0.034 | 98.422 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 299 | ARG | 1 | 0.891 | 0.933 | 99.286 | -3.119 | -3.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 300 | SER | 0 | -0.075 | -0.048 | 102.883 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 301 | SER | 0 | 0.019 | 0.006 | 105.531 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 302 | THR | 0 | -0.040 | -0.021 | 109.211 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 303 | ASN | 0 | 0.005 | 0.013 | 112.021 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 304 | ASP | -1 | -0.837 | -0.892 | 115.608 | 2.755 | 2.755 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 305 | SER | 0 | -0.025 | -0.026 | 118.182 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 306 | ILE | 0 | 0.018 | 0.005 | 119.337 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 307 | VAL | 0 | -0.005 | 0.011 | 123.130 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 308 | VAL | 0 | -0.021 | 0.002 | 126.495 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 309 | SER | 0 | -0.082 | -0.067 | 128.924 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 310 | GLY | 0 | 0.044 | 0.012 | 132.215 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 311 | ASP | -1 | -0.781 | -0.865 | 134.618 | 2.319 | 2.319 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 312 | PRO | 0 | 0.008 | -0.004 | 135.332 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 313 | ARG | 1 | 0.827 | 0.902 | 135.275 | -2.349 | -2.349 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 314 | PHE | 0 | -0.019 | -0.018 | 130.888 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 315 | ALA | 0 | -0.068 | -0.014 | 131.357 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 316 | GLY | 0 | 0.062 | 0.028 | 131.232 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 317 | THR | 0 | -0.102 | -0.068 | 125.346 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 318 | ILE | 0 | 0.043 | 0.041 | 123.676 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 319 | LYS | 1 | 0.918 | 0.955 | 122.091 | -2.569 | -2.569 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 320 | ILE | 0 | 0.021 | 0.018 | 117.747 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 321 | THR | 0 | -0.020 | -0.030 | 113.031 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 322 | THR | 0 | -0.013 | -0.004 | 112.902 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 323 | SER | 0 | -0.041 | -0.047 | 109.305 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 324 | ALA | 0 | 0.007 | 0.018 | 106.325 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 325 | VAL | 0 | -0.019 | -0.026 | 103.471 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 326 | ILE | 0 | -0.020 | -0.010 | 98.062 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 327 | ASP | -1 | -0.860 | -0.940 | 98.904 | 3.134 | 3.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 328 | ASN | 0 | 0.052 | 0.024 | 96.811 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 329 | ARG | 1 | 0.868 | 0.910 | 88.927 | -3.485 | -3.485 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 330 | ALA | 0 | 0.014 | 0.021 | 94.682 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 331 | ASN | 0 | 0.032 | 0.013 | 97.100 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 332 | LEU | 0 | 0.013 | 0.010 | 93.432 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 333 | ASN | 0 | -0.050 | -0.037 | 92.368 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 334 | TYR | 0 | -0.015 | -0.005 | 96.090 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 335 | LEU | 0 | 0.026 | 0.013 | 99.652 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 336 | LEU | 0 | -0.025 | -0.018 | 93.745 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 337 | SER | 0 | -0.075 | -0.045 | 96.899 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 338 | HIS | 1 | 0.821 | 0.914 | 98.748 | -3.096 | -3.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 339 | SER | 0 | -0.021 | -0.011 | 102.637 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 340 | GLY | 0 | 0.050 | -0.007 | 105.416 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 341 | LEU | 0 | 0.017 | 0.017 | 106.995 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 342 | ASP | -1 | -0.816 | -0.861 | 106.113 | 2.972 | 2.972 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 343 | TYR | 0 | 0.062 | 0.010 | 102.547 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 344 | LYS | 1 | 0.778 | 0.886 | 106.778 | -2.785 | -2.785 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 345 | ARG | 1 | 0.957 | 0.983 | 110.359 | -2.800 | -2.800 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 346 | ASN | 0 | -0.059 | -0.060 | 107.393 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 347 | ILE | 0 | -0.046 | -0.003 | 103.302 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 348 | LEU | 0 | -0.006 | -0.011 | 106.997 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 349 | ASN | 0 | -0.069 | -0.016 | 108.920 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 350 | ASP | -1 | -0.737 | -0.842 | 112.261 | 2.747 | 2.747 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 351 | ARG | 1 | 0.847 | 0.903 | 111.564 | -2.798 | -2.798 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 352 | ASN | 0 | -0.028 | -0.003 | 116.032 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 353 | PRO | 0 | -0.007 | -0.002 | 119.076 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 354 | VAL | 0 | -0.051 | -0.026 | 120.220 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 355 | VAL | 0 | -0.058 | -0.039 | 120.461 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 356 | THR | 0 | -0.029 | -0.024 | 123.862 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 357 | GLU | -1 | -0.892 | -0.960 | 127.260 | 2.434 | 2.434 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 358 | ASP | -1 | -0.784 | -0.881 | 127.918 | 2.470 | 2.470 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 359 | VAL | 0 | -0.018 | -0.030 | 127.180 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 360 | GLU | -1 | -0.825 | -0.872 | 126.737 | 2.488 | 2.488 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 361 | GLY | 0 | 0.040 | -0.003 | 125.387 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 362 | ASP | -1 | -0.764 | -0.854 | 123.075 | 2.581 | 2.581 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 363 | LYS | 1 | 0.910 | 0.958 | 121.368 | -2.503 | -2.503 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 364 | LYS | 1 | 0.777 | 0.881 | 120.255 | -2.501 | -2.501 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 365 | ILE | 0 | 0.034 | 0.011 | 118.831 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 366 | TYR | 0 | -0.011 | -0.008 | 114.928 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 367 | ASN | 0 | -0.012 | -0.026 | 115.525 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 368 | ALA | 0 | 0.012 | 0.022 | 114.604 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 369 | GLU | -1 | -0.832 | -0.930 | 113.053 | 2.794 | 2.794 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 370 | VAL | 0 | -0.023 | -0.013 | 111.020 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 371 | ALA | 0 | -0.003 | 0.002 | 109.849 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 372 | GLU | -1 | -0.780 | -0.847 | 108.112 | 2.954 | 2.954 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 373 | TRP | 0 | 0.050 | 0.037 | 104.357 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 374 | ASP | -1 | -0.764 | -0.901 | 104.991 | 3.008 | 3.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 375 | LYS | 1 | 0.834 | 0.929 | 104.513 | -2.834 | -2.834 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 376 | LEU | 0 | -0.031 | -0.014 | 101.077 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 377 | ARG | 1 | 0.843 | 0.927 | 99.320 | -3.098 | -3.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 378 | GLN | 0 | 0.000 | -0.004 | 99.607 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 379 | ARG | 1 | 0.819 | 0.885 | 98.516 | -3.098 | -3.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 380 | LEU | 0 | 0.021 | 0.005 | 96.474 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 381 | LEU | 0 | 0.003 | 0.000 | 94.774 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 382 | ASP | -1 | -0.817 | -0.885 | 94.106 | 3.380 | 3.380 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 383 | ALA | 0 | 0.000 | 0.003 | 92.637 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 384 | ARG | 1 | 0.950 | 0.973 | 90.508 | -3.386 | -3.386 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 385 | ASN | 0 | 0.009 | 0.006 | 89.401 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 386 | LYS | 1 | 0.838 | 0.903 | 88.540 | -3.325 | -3.325 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 387 | ILE | 0 | -0.012 | -0.001 | 85.283 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 388 | THR | 0 | 0.010 | -0.009 | 84.737 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 389 | SER | 0 | 0.017 | 0.015 | 84.086 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 390 | ALA | 0 | -0.014 | 0.001 | 82.194 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 391 | GLU | -1 | -0.839 | -0.925 | 80.276 | 3.824 | 3.824 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 392 | SER | 0 | -0.021 | -0.007 | 79.167 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 393 | ALA | 0 | 0.003 | 0.017 | 78.388 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 394 | VAL | 0 | -0.008 | -0.006 | 75.536 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 395 | ASN | 0 | -0.028 | -0.023 | 74.530 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 396 | SER | 0 | 0.022 | 0.008 | 73.454 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 397 | ALA | 0 | -0.025 | -0.014 | 72.198 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 398 | ARG | 1 | 0.885 | 0.929 | 70.265 | -4.208 | -4.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 399 | ASN | 0 | 0.025 | 0.021 | 68.919 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 400 | ASN | 0 | 0.016 | 0.010 | 67.879 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 401 | LEU | 0 | 0.006 | 0.000 | 64.792 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 402 | SER | 0 | 0.000 | 0.001 | 64.354 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 403 | ALA | 0 | 0.000 | 0.011 | 63.252 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 404 | ARG | 1 | 0.812 | 0.861 | 62.004 | -4.729 | -4.729 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 405 | THR | 0 | -0.005 | -0.023 | 59.698 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 406 | ASN | 0 | -0.048 | -0.030 | 58.422 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 407 | GLU | -1 | -0.811 | -0.862 | 57.213 | 5.111 | 5.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 408 | GLN | 0 | -0.016 | -0.023 | 55.032 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 409 | LYS | 1 | 0.999 | 1.021 | 52.284 | -5.576 | -5.576 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 410 | HIS | 0 | -0.047 | -0.023 | 52.057 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 411 | ALA | 0 | -0.023 | -0.008 | 51.437 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 412 | ASN | 0 | -0.008 | -0.010 | 49.512 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 413 | ASP | -1 | -0.839 | -0.929 | 47.854 | 6.128 | 6.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 414 | ALA | 0 | -0.020 | -0.006 | 46.431 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 415 | LEU | 0 | 0.016 | 0.008 | 44.855 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 416 | ASN | 0 | 0.019 | 0.000 | 43.074 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 417 | ALA | 0 | 0.012 | 0.005 | 41.936 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 418 | LEU | 0 | 0.022 | 0.014 | 40.640 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 419 | LEU | 0 | 0.015 | 0.008 | 39.189 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 420 | LYS | 1 | 0.791 | 0.887 | 37.584 | -7.320 | -7.320 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 421 | GLU | -1 | -0.813 | -0.887 | 35.609 | 8.266 | 8.266 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 422 | LYS | 1 | 0.854 | 0.915 | 34.611 | -7.687 | -7.687 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 423 | GLU | -1 | -0.846 | -0.907 | 33.295 | 8.153 | 8.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 424 | ASN | 0 | 0.041 | 0.010 | 30.933 | 0.523 | 0.523 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 425 | ILE | 0 | -0.037 | -0.009 | 30.067 | 0.361 | 0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 426 | ARG | 1 | 0.976 | 0.987 | 28.817 | -9.158 | -9.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 427 | ASN | 0 | -0.023 | 0.006 | 27.021 | 0.630 | 0.630 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 428 | GLN | 0 | 0.001 | -0.006 | 25.467 | 0.375 | 0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 429 | LEU | 0 | -0.005 | 0.006 | 24.457 | 0.449 | 0.449 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 430 | SER | 0 | -0.017 | -0.023 | 23.430 | 0.463 | 0.463 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 431 | GLY | 0 | -0.002 | 0.006 | 20.845 | 0.560 | 0.560 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 432 | ILE | 0 | 0.009 | 0.001 | 19.458 | 0.733 | 0.733 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 433 | ASN | 0 | -0.018 | -0.016 | 19.229 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 434 | GLN | 0 | 0.055 | 0.031 | 15.679 | 1.244 | 1.244 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 435 | LYS | 1 | 0.944 | 0.983 | 13.642 | -16.227 | -16.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 436 | ILE | 0 | -0.014 | -0.006 | 14.536 | 1.001 | 1.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 437 | ALA | 0 | -0.010 | -0.006 | 14.784 | 0.866 | 0.866 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 438 | GLU | -1 | -0.934 | -0.974 | 10.114 | 20.879 | 20.879 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 439 | GLU | -1 | -0.739 | -0.838 | 9.916 | 25.722 | 25.722 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 440 | LYS | 1 | 0.829 | 0.905 | 10.669 | -14.671 | -14.671 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 441 | ARG | 1 | 0.929 | 0.975 | 8.723 | -18.248 | -18.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 442 | LYS | 1 | 0.852 | 0.923 | 6.029 | -20.997 | -20.997 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 443 | GLN | 0 | -0.069 | -0.034 | 6.759 | 2.779 | 2.779 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 444 | ASP | -1 | -0.901 | -0.958 | 9.418 | 25.058 | 25.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 445 | GLU | -1 | -1.001 | -1.008 | 4.195 | 39.931 | 40.180 | -0.001 | -0.037 | -0.211 | 0.000 |
| 424 | A | 446 | LEU | 0 | 0.023 | 0.017 | 5.209 | 8.369 | 8.572 | -0.001 | -0.009 | -0.192 | 0.000 |
| 425 | A | 447 | LYS | 1 | 0.934 | 0.977 | 6.340 | -21.061 | -21.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 448 | ALA | 0 | -0.045 | -0.024 | 6.551 | -0.348 | -0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 449 | THR | 0 | -0.041 | -0.048 | 1.521 | -26.823 | -40.461 | 30.381 | -11.824 | -4.919 | 0.089 |
| 428 | A | 450 | LYS | 1 | 0.851 | 0.914 | 4.689 | -33.243 | -33.150 | -0.001 | -0.030 | -0.062 | 0.000 |
| 429 | A | 451 | ASP | -1 | -0.853 | -0.941 | 7.872 | 23.648 | 23.648 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 452 | ALA | 0 | -0.039 | -0.008 | 6.605 | -3.272 | -3.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 453 | ILE | 0 | 0.051 | 0.029 | 5.959 | -3.064 | -3.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 454 | ASN | 0 | -0.028 | -0.009 | 9.159 | -2.270 | -2.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 455 | PHE | 0 | -0.004 | -0.003 | 11.865 | -2.202 | -2.202 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 456 | THR | 0 | -0.001 | -0.021 | 10.556 | -1.980 | -1.980 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 457 | THR | 0 | -0.036 | -0.027 | 12.857 | -1.634 | -1.634 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 458 | GLU | -1 | -0.850 | -0.926 | 15.089 | 14.680 | 14.680 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 459 | PHE | 0 | -0.031 | 0.001 | 16.286 | -1.185 | -1.185 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 460 | LEU | 0 | -0.003 | 0.002 | 15.615 | -1.151 | -1.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 461 | LYS | 1 | 0.868 | 0.936 | 18.950 | -15.774 | -15.774 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 462 | SER | 0 | -0.034 | -0.030 | 20.995 | -0.983 | -0.983 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 463 | VAL | 0 | 0.008 | -0.003 | 21.416 | -0.784 | -0.784 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 464 | SER | 0 | -0.004 | -0.044 | 23.588 | -0.911 | -0.911 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 465 | GLU | -1 | -0.931 | -0.976 | 24.046 | 12.531 | 12.531 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 466 | LYS | 1 | 0.839 | 0.941 | 26.767 | -12.266 | -12.266 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 467 | TYR | 0 | -0.028 | -0.018 | 26.453 | -0.575 | -0.575 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 468 | GLY | 0 | 0.049 | 0.040 | 28.585 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 469 | ALA | 0 | 0.045 | 0.008 | 26.800 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 470 | LYS | 1 | 0.949 | 0.969 | 26.410 | -10.012 | -10.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 471 | ALA | 0 | 0.046 | 0.043 | 26.150 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 472 | GLU | -1 | -0.716 | -0.801 | 20.577 | 15.845 | 15.845 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 473 | GLN | 0 | -0.031 | -0.020 | 21.795 | 0.427 | 0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 474 | LEU | 0 | -0.016 | -0.001 | 22.817 | 0.420 | 0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 475 | ALA | 0 | 0.013 | 0.009 | 19.538 | 0.374 | 0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 476 | ARG | 1 | 0.869 | 0.914 | 16.820 | -16.946 | -16.946 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 477 | GLU | -1 | -0.782 | -0.891 | 18.435 | 13.678 | 13.678 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 478 | MET | 0 | -0.060 | -0.017 | 19.393 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 479 | ALA | 0 | -0.020 | -0.009 | 14.719 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 480 | GLY | 0 | 0.024 | 0.021 | 15.154 | 1.363 | 1.363 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 481 | GLN | 0 | -0.035 | -0.014 | 17.622 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 482 | ALA | 0 | 0.057 | 0.027 | 16.306 | 0.960 | 0.960 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 483 | LYS | 1 | 0.877 | 0.911 | 8.752 | -28.833 | -28.833 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 484 | GLY | 0 | -0.018 | 0.000 | 13.450 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 485 | LYS | 1 | 0.811 | 0.918 | 14.192 | -14.779 | -14.779 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 486 | LYS | 1 | 0.882 | 0.930 | 16.637 | -15.138 | -15.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 487 | ILE | 0 | -0.016 | -0.009 | 18.754 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 488 | ARG | 1 | 0.802 | 0.889 | 21.118 | -11.580 | -11.580 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 489 | ASN | 0 | 0.038 | 0.005 | 24.685 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 490 | VAL | 0 | 0.042 | 0.022 | 27.617 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 491 | GLU | -1 | -0.769 | -0.848 | 29.570 | 8.998 | 8.998 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 492 | GLU | -1 | -0.921 | -0.949 | 29.439 | 10.247 | 10.247 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 493 | ALA | 0 | -0.022 | -0.003 | 27.575 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 494 | LEU | 0 | 0.010 | -0.004 | 29.527 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 495 | LYS | 1 | 0.948 | 0.979 | 32.882 | -8.703 | -8.703 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 496 | THR | 0 | -0.056 | -0.046 | 29.702 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 497 | TYR | 0 | 0.007 | 0.000 | 31.260 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 498 | GLU | -1 | -0.822 | -0.916 | 33.207 | 8.244 | 8.244 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 499 | LYS | 1 | 0.764 | 0.885 | 33.891 | -9.432 | -9.432 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 500 | TYR | 0 | -0.019 | -0.032 | 33.184 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 501 | ARG | 1 | 0.804 | 0.902 | 36.431 | -8.289 | -8.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 502 | ALA | 0 | 0.008 | -0.006 | 37.702 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 503 | ASP | -1 | -0.803 | -0.886 | 37.943 | 8.035 | 8.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 504 | ILE | 0 | 0.022 | 0.001 | 32.883 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 505 | ASN | 0 | -0.033 | -0.016 | 36.351 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 506 | LYS | 1 | 0.859 | 0.928 | 39.039 | -7.788 | -7.788 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 507 | LYS | 1 | 0.772 | 0.919 | 36.939 | -8.855 | -8.855 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 508 | ILE | 0 | 0.040 | 0.002 | 38.441 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 509 | ASN | 0 | -0.017 | -0.011 | 36.676 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 510 | ALA | 0 | 0.054 | 0.036 | 39.794 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 511 | LYS | 1 | 0.878 | 0.924 | 41.130 | -7.552 | -7.552 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 512 | ASP | -1 | -0.787 | -0.899 | 37.648 | 8.107 | 8.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 513 | ARG | 1 | 0.838 | 0.914 | 36.463 | -8.130 | -8.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 514 | ALA | 0 | 0.006 | 0.008 | 36.604 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 515 | ALA | 0 | 0.002 | 0.003 | 36.599 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 516 | ILE | 0 | -0.003 | -0.001 | 31.364 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 517 | ALA | 0 | 0.006 | 0.008 | 32.327 | 0.291 | 0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 518 | ALA | 0 | 0.024 | 0.008 | 33.364 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 519 | ALA | 0 | -0.036 | -0.002 | 30.932 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 520 | LEU | 0 | 0.008 | -0.007 | 28.082 | 0.312 | 0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 521 | GLU | -1 | -0.824 | -0.906 | 29.200 | 9.208 | 9.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 522 | SER | 0 | -0.068 | -0.032 | 31.395 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 523 | VAL | 0 | -0.043 | -0.003 | 25.605 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 524 | LYS | 1 | 0.913 | 0.956 | 25.736 | -11.578 | -11.578 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 525 | LEU | 0 | -0.002 | -0.016 | 21.143 | 0.505 | 0.505 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 526 | SER | 0 | 0.003 | -0.025 | 21.554 | 0.629 | 0.629 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 527 | ASP | -1 | -0.828 | -0.895 | 21.145 | 12.984 | 12.984 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 528 | ILE | 0 | 0.011 | 0.005 | 19.932 | 0.773 | 0.773 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 529 | SER | 0 | 0.009 | 0.015 | 17.690 | 1.492 | 1.492 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 530 | SER | 0 | 0.040 | 0.020 | 15.494 | 1.508 | 1.508 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 531 | ASN | 0 | 0.001 | -0.006 | 14.030 | 2.230 | 2.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 532 | LEU | 0 | 0.033 | 0.045 | 13.636 | 1.386 | 1.386 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 533 | ASN | 0 | -0.064 | -0.036 | 11.281 | 2.648 | 2.648 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 534 | ARG | 1 | 0.919 | 0.977 | 9.418 | -17.829 | -17.829 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 535 | PHE | 0 | 0.038 | 0.012 | 9.052 | 3.366 | 3.366 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 536 | SER | 0 | -0.045 | -0.041 | 9.838 | 0.496 | 0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 537 | ARG | 1 | 0.899 | 0.948 | 2.651 | -67.830 | -64.818 | 0.530 | -1.666 | -1.876 | 0.019 |
| 516 | A | 538 | GLY | 0 | -0.001 | -0.002 | 5.546 | 5.942 | 6.008 | -0.001 | 0.001 | -0.065 | 0.000 |
| 517 | A | 539 | LEU | 0 | -0.002 | 0.005 | 7.821 | -2.072 | -2.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 540 | GLY | 0 | -0.019 | -0.004 | 6.142 | -1.491 | -1.491 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 541 | TYR | 0 | -0.081 | -0.057 | 7.214 | -3.037 | -3.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 542 | ALA | 0 | 0.041 | 0.009 | 6.119 | 1.996 | 1.996 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 543 | GLY | 0 | 0.017 | 0.007 | 8.120 | -1.398 | -1.398 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 544 | LYS | 1 | 0.933 | 0.977 | 11.596 | -15.204 | -15.204 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 545 | PHE | 0 | 0.052 | 0.027 | 13.555 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 546 | THR | 0 | -0.054 | -0.041 | 17.672 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 547 | SER | 0 | -0.032 | -0.022 | 21.244 | -0.525 | -0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 548 | LEU | 0 | 0.060 | 0.029 | 18.688 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 549 | ALA | 0 | 0.033 | 0.031 | 23.406 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 550 | ASP | -1 | -0.750 | -0.869 | 26.405 | 11.120 | 11.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 551 | TRP | 0 | -0.001 | -0.019 | 23.396 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 552 | ILE | 0 | 0.037 | 0.004 | 23.023 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 553 | THR | 0 | -0.025 | -0.012 | 27.200 | -0.390 | -0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 554 | GLU | -1 | -0.810 | -0.909 | 29.871 | 8.994 | 8.994 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 555 | PHE | 0 | 0.018 | 0.010 | 25.558 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 556 | GLY | 0 | 0.009 | 0.009 | 30.208 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 557 | LYS | 1 | 0.831 | 0.892 | 32.598 | -9.235 | -9.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 558 | ALA | 0 | -0.020 | -0.009 | 32.516 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 559 | VAL | 0 | -0.007 | 0.008 | 32.274 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 560 | ARG | 1 | 0.791 | 0.889 | 35.048 | -8.818 | -8.818 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 561 | THR | 0 | -0.012 | -0.007 | 38.059 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 562 | GLU | -1 | -0.710 | -0.814 | 37.070 | 8.655 | 8.655 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 563 | ASN | 0 | -0.047 | -0.052 | 37.228 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 564 | TRP | 0 | 0.033 | 0.011 | 30.827 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 565 | ARG | 1 | 0.836 | 0.875 | 32.279 | -8.600 | -8.600 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 566 | PRO | 0 | -0.018 | 0.004 | 32.003 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 567 | LEU | 0 | 0.047 | 0.032 | 27.124 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 568 | PHE | 0 | 0.009 | 0.006 | 27.697 | 0.499 | 0.499 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 569 | VAL | 0 | 0.019 | -0.003 | 27.272 | 0.361 | 0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 570 | LYS | 1 | 0.842 | 0.919 | 26.598 | -11.019 | -11.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 571 | THR | 0 | -0.003 | -0.014 | 22.478 | 0.544 | 0.544 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 572 | GLU | -1 | -0.832 | -0.900 | 22.376 | 12.860 | 12.860 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 573 | THR | 0 | -0.099 | -0.040 | 23.110 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 574 | ILE | 0 | -0.035 | -0.006 | 20.542 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 575 | ILE | 0 | -0.005 | 0.007 | 15.517 | 0.725 | 0.725 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 576 | ALA | 0 | 0.015 | 0.014 | 15.065 | -0.363 | -0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 577 | GLY | 0 | 0.019 | 0.009 | 14.784 | -0.443 | -0.443 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 578 | ASN | 0 | -0.001 | -0.024 | 15.781 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 579 | ALA | 0 | 0.011 | 0.016 | 13.632 | -0.361 | -0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 580 | ALA | 0 | 0.063 | 0.022 | 15.607 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 581 | THR | 0 | 0.017 | 0.002 | 10.610 | -0.606 | -0.606 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 582 | ALA | 0 | -0.011 | 0.005 | 13.491 | 0.641 | 0.641 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 583 | LEU | 0 | 0.027 | 0.015 | 14.258 | -0.347 | -0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 584 | VAL | 0 | -0.008 | -0.003 | 15.376 | -0.572 | -0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 585 | ALA | 0 | 0.038 | 0.028 | 12.824 | -0.368 | -0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 586 | LEU | 0 | -0.015 | 0.007 | 14.813 | -0.462 | -0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 587 | VAL | 0 | 0.026 | 0.001 | 17.921 | -0.615 | -0.615 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 588 | PHE | 0 | 0.015 | 0.000 | 15.190 | -0.677 | -0.677 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 589 | SER | 0 | -0.024 | -0.020 | 16.429 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 590 | ILE | 0 | -0.019 | -0.007 | 18.505 | -0.536 | -0.536 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 591 | LEU | 0 | -0.019 | -0.006 | 21.310 | -0.619 | -0.619 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 592 | THR | 0 | -0.065 | -0.037 | 18.649 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 593 | GLY | 0 | -0.005 | -0.009 | 21.375 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 594 | SER | 0 | -0.048 | -0.023 | 23.880 | -0.614 | -0.614 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 595 | ALA | 0 | 0.028 | 0.017 | 27.022 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 596 | LEU | 0 | -0.006 | -0.001 | 27.110 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 597 | GLY | 0 | 0.036 | 0.024 | 30.307 | -0.339 | -0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 598 | ILE | 0 | 0.018 | 0.000 | 30.234 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 599 | ILE | 0 | 0.002 | 0.012 | 31.136 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 600 | GLY | 0 | 0.034 | 0.014 | 31.013 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 601 | TYR | 0 | -0.024 | -0.029 | 23.099 | 0.345 | 0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 602 | GLY | 0 | 0.033 | 0.011 | 27.378 | 0.343 | 0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 603 | LEU | 0 | -0.008 | -0.005 | 29.451 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 604 | LEU | 0 | 0.015 | 0.009 | 25.001 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 605 | MET | 0 | 0.015 | 0.028 | 21.535 | 0.482 | 0.482 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 606 | ALA | 0 | -0.011 | 0.002 | 25.804 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 607 | VAL | 0 | -0.018 | -0.006 | 27.385 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 608 | THR | 0 | -0.023 | -0.042 | 21.581 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 609 | GLY | 0 | 0.018 | 0.002 | 23.830 | 0.347 | 0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 610 | ALA | 0 | -0.002 | 0.001 | 25.173 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 611 | LEU | 0 | 0.040 | 0.029 | 23.768 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 612 | ILE | 0 | -0.008 | 0.014 | 19.072 | 0.445 | 0.445 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 613 | ASP | -1 | -0.851 | -0.933 | 22.474 | 12.458 | 12.458 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 614 | GLU | -1 | -0.695 | -0.778 | 24.902 | 9.584 | 9.584 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 615 | SER | 0 | -0.057 | -0.047 | 25.933 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 616 | LEU | 0 | -0.017 | -0.003 | 21.719 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 617 | VAL | 0 | 0.002 | 0.010 | 26.198 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 618 | GLU | -1 | -0.838 | -0.896 | 29.325 | 9.432 | 9.432 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 619 | LYS | 1 | 0.860 | 0.915 | 25.667 | -12.580 | -12.580 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 620 | ALA | 0 | 0.022 | 0.009 | 27.894 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 621 | ASN | 0 | -0.039 | -0.048 | 29.598 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 622 | LYS | 1 | 0.778 | 0.880 | 32.455 | -9.848 | -9.848 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 623 | PHE | 0 | -0.037 | -0.020 | 28.709 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 624 | TRP | 0 | 0.001 | 0.019 | 32.034 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |