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: 7KVQK
Calculation Name: 4D8O-A-Xray547
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 4D8O
Chain ID: A
UniProt ID: Q01484
Base Structure: X-ray
Registration Date: 2025-10-05
Reference: Sci Data 11, 1164 (2024).
DOI: https://doi.org/10.1038/s41597-024-03999-2
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptAll |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Homology Modeling |
| Water | No |
| Procedure | Manual calculation |
| Remarks |
ac.sh, 23 2024 Oct; Missing atoms/residues were imported from a 100% homology model, which was constructed by MOE. |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 529 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -10436061.100627 |
|---|---|
| FMO2-HF: Nuclear repulsion | 10223854.433283 |
| FMO2-HF: Total energy | -212206.667344 |
| FMO2-MP2: Total energy | -212818.210492 |
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:964:GLU)
Summations of interaction energy for
fragment #1(A:964: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. |
| -53.028 | -49.78 | 19.751 | -11.032 | -11.97 | 0.095 |
Interaction energy analysis for fragmet #1(A:964: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 | 966 | SER | 0 | 0.028 | 0.004 | 3.862 | -5.442 | -3.479 | -0.025 | -1.025 | -0.913 | -0.001 |
| 46 | A | 1009 | VAL | 0 | -0.038 | -0.022 | 4.499 | -2.984 | -2.867 | -0.001 | -0.021 | -0.096 | 0.000 |
| 47 | A | 1010 | LYS | 1 | 0.919 | 0.956 | 3.400 | 19.406 | 20.241 | 0.009 | -0.274 | -0.569 | 0.000 |
| 48 | A | 1011 | ARG | 1 | 0.797 | 0.891 | 1.812 | -58.315 | -59.361 | 19.509 | -9.163 | -9.301 | 0.091 |
| 49 | A | 1012 | HIS | 0 | 0.072 | 0.034 | 4.636 | 1.266 | 1.356 | -0.001 | -0.025 | -0.065 | 0.000 |
| 51 | A | 1014 | LEU | 0 | 0.028 | 0.015 | 3.087 | 3.706 | 4.985 | 0.261 | -0.524 | -1.016 | 0.005 |
| 52 | A | 1015 | ALA | 0 | 0.021 | 0.012 | 5.609 | -2.500 | -2.490 | -0.001 | 0.000 | -0.010 | 0.000 |
| 4 | A | 967 | GLY | 0 | 0.030 | 0.013 | 6.435 | -0.639 | -0.639 | 0.000 | 0.000 | 0.000 | 0.000 |
| 5 | A | 968 | PHE | 0 | 0.003 | -0.008 | 8.964 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 969 | LEU | 0 | -0.009 | -0.007 | 10.799 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 970 | VAL | 0 | 0.051 | 0.028 | 13.318 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 971 | SER | 0 | 0.013 | -0.016 | 14.174 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 972 | PHE | 0 | -0.001 | 0.006 | 16.238 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 973 | MET | 0 | -0.020 | 0.006 | 19.941 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 974 | VAL | 0 | -0.001 | 0.014 | 22.550 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 975 | ASP | -1 | -0.766 | -0.896 | 24.932 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 976 | ALA | 0 | 0.063 | 0.027 | 27.979 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 977 | ARG | 1 | 0.840 | 0.916 | 29.509 | 0.381 | 0.381 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 978 | GLY | 0 | 0.036 | 0.043 | 28.035 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 979 | GLY | 0 | -0.022 | -0.028 | 26.371 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 980 | ALA | 0 | 0.018 | 0.013 | 24.036 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 981 | MET | 0 | -0.052 | -0.010 | 18.393 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 982 | ARG | 1 | 0.950 | 0.971 | 20.801 | 0.909 | 0.909 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 983 | GLY | 0 | 0.009 | -0.003 | 16.885 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 984 | CYS | 0 | -0.076 | -0.021 | 14.389 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 985 | ARG | 1 | 0.861 | 0.919 | 12.216 | 4.025 | 4.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 986 | HIS | 0 | 0.049 | 0.022 | 16.406 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 987 | ASN | 0 | 0.058 | 0.023 | 18.002 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 988 | GLY | 0 | 0.003 | 0.004 | 20.913 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 989 | LEU | 0 | -0.054 | -0.018 | 14.623 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 990 | ARG | 1 | 0.747 | 0.839 | 19.098 | 0.489 | 0.489 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 991 | ILE | 0 | -0.013 | 0.005 | 16.238 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 992 | ILE | 0 | 0.020 | 0.004 | 20.712 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 993 | ILE | 0 | -0.020 | -0.001 | 21.287 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 994 | PRO | 0 | 0.066 | 0.029 | 25.296 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 995 | PRO | 0 | 0.012 | -0.002 | 28.944 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 996 | ARG | 1 | 0.860 | 0.912 | 31.531 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 997 | LYS | 1 | 0.839 | 0.937 | 27.416 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 998 | CYS | 0 | -0.024 | 0.007 | 25.823 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 999 | THR | 0 | 0.033 | -0.004 | 27.954 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 1000 | ALA | 0 | 0.025 | 0.019 | 27.358 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 1001 | PRO | 0 | -0.025 | -0.015 | 25.949 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 1002 | THR | 0 | 0.017 | 0.012 | 20.685 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 1003 | ARG | 1 | 0.892 | 0.930 | 16.582 | 0.875 | 0.875 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 1004 | VAL | 0 | 0.042 | 0.037 | 17.593 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 1005 | THR | 0 | -0.060 | -0.040 | 12.539 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 1006 | CYS | 0 | 0.024 | 0.019 | 12.513 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 1007 | ARG | 1 | 0.804 | 0.882 | 5.729 | 2.584 | 2.584 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 1008 | LEU | 0 | 0.073 | 0.044 | 9.123 | 0.976 | 0.976 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 1013 | ARG | 1 | 0.888 | 0.916 | 7.204 | -6.397 | -6.397 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 1016 | THR | 0 | 0.016 | 0.018 | 8.047 | -1.101 | -1.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 1017 | MET | 0 | -0.022 | 0.038 | 9.326 | 0.983 | 0.983 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 1018 | PRO | 0 | 0.034 | 0.014 | 11.590 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 1019 | PRO | 0 | -0.041 | -0.006 | 14.803 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 1020 | MET | 0 | 0.004 | 0.008 | 16.064 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 1021 | VAL | 0 | -0.048 | -0.024 | 19.935 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 1022 | GLU | -1 | -0.764 | -0.869 | 23.323 | 0.516 | 0.516 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 1023 | GLY | 0 | 0.039 | 0.023 | 25.295 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 1024 | GLU | -1 | -0.907 | -0.957 | 21.688 | 0.793 | 0.793 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 1025 | GLY | 0 | 0.049 | 0.015 | 18.984 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 1026 | LEU | 0 | -0.011 | 0.006 | 12.641 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 1027 | ALA | 0 | 0.021 | 0.019 | 16.820 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 1028 | SER | 0 | 0.002 | -0.019 | 13.720 | -0.400 | -0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 1029 | ARG | 1 | 0.774 | 0.873 | 7.783 | 4.524 | 4.524 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 1030 | LEU | 0 | 0.015 | 0.005 | 7.820 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 1031 | ILE | 0 | 0.012 | 0.001 | 9.384 | -0.852 | -0.852 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 1032 | GLU | -1 | -0.839 | -0.878 | 6.690 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 1033 | VAL | 0 | 0.016 | -0.010 | 9.822 | -0.695 | -0.695 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 1034 | GLY | 0 | 0.001 | 0.041 | 13.172 | 0.312 | 0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 1035 | PRO | 0 | 0.006 | -0.023 | 13.831 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 1036 | SER | 0 | 0.035 | -0.001 | 12.576 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 1037 | GLY | 0 | -0.002 | -0.003 | 14.840 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 1038 | ALA | 0 | -0.049 | -0.009 | 18.080 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 1039 | GLN | 0 | -0.020 | -0.028 | 20.118 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 1040 | PHE | 0 | -0.018 | -0.006 | 20.711 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 1041 | LEU | 0 | -0.042 | -0.026 | 25.947 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 1042 | GLY | 0 | 0.000 | -0.007 | 28.581 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 1043 | PRO | 0 | -0.042 | -0.013 | 26.554 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 1044 | VAL | 0 | -0.018 | -0.001 | 22.092 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 1045 | ILE | 0 | 0.026 | 0.014 | 23.538 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 1046 | VAL | 0 | -0.015 | -0.015 | 16.885 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 1047 | GLU | -1 | -0.749 | -0.851 | 20.165 | -0.405 | -0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 1048 | ILE | 0 | 0.008 | -0.011 | 15.256 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 1049 | PRO | 0 | -0.024 | -0.005 | 17.302 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 1050 | HIS | 0 | 0.029 | 0.020 | 17.737 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 1051 | PHE | 0 | 0.013 | 0.002 | 16.490 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 1052 | ALA | 0 | 0.031 | 0.035 | 20.237 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 1053 | ALA | 0 | -0.011 | -0.020 | 22.588 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 1054 | LEU | 0 | 0.028 | -0.003 | 24.944 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 1055 | ARG | 1 | 0.807 | 0.881 | 28.152 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 1056 | GLY | 0 | 0.025 | 0.018 | 31.561 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 1057 | LYS | 1 | 0.901 | 0.949 | 32.118 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 1058 | GLU | -1 | -0.843 | -0.907 | 31.999 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 1059 | ARG | 1 | 0.814 | 0.909 | 24.808 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 1060 | GLU | -1 | -0.759 | -0.865 | 26.641 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 1061 | LEU | 0 | -0.022 | -0.018 | 21.795 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 1062 | VAL | 0 | -0.004 | 0.011 | 21.339 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 1063 | VAL | 0 | 0.027 | 0.014 | 18.737 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 1064 | LEU | 0 | -0.004 | -0.005 | 16.997 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 1065 | ARG | 1 | 0.739 | 0.791 | 15.656 | -1.070 | -1.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 1066 | SER | 0 | 0.014 | -0.005 | 12.556 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 1067 | GLU | -1 | -0.761 | -0.876 | 14.009 | 1.448 | 1.448 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 1068 | ASN | 0 | 0.035 | 0.007 | 13.455 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 1069 | GLY | 0 | -0.009 | -0.003 | 9.637 | 0.565 | 0.565 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 1070 | ASP | -1 | -0.939 | -0.948 | 10.011 | 4.685 | 4.685 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 1071 | SER | 0 | -0.003 | -0.008 | 12.696 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 1072 | TRP | 0 | -0.001 | -0.009 | 10.528 | -0.352 | -0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 1073 | LYS | 1 | 0.862 | 0.932 | 16.769 | -1.485 | -1.485 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 1074 | GLU | -1 | -0.832 | -0.933 | 19.498 | 0.705 | 0.705 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 1075 | HIS | 0 | -0.059 | -0.041 | 20.178 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 1076 | PHE | 0 | -0.021 | -0.010 | 22.266 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 1077 | CYS | 0 | -0.059 | -0.005 | 24.971 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 1078 | ASP | -1 | -0.798 | -0.921 | 27.029 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 1079 | TYR | 0 | -0.009 | -0.012 | 29.902 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 1080 | THR | 0 | -0.030 | 0.002 | 31.444 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 1081 | GLU | -1 | -0.881 | -0.921 | 32.479 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 1082 | ASP | -1 | -0.874 | -0.929 | 34.942 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 1083 | GLU | -1 | -0.829 | -0.961 | 28.627 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 1084 | LEU | 0 | -0.051 | -0.019 | 29.936 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 1085 | ASN | 0 | -0.022 | -0.030 | 33.307 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 1086 | GLU | -1 | -0.876 | -0.914 | 32.011 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 1087 | ILE | 0 | -0.044 | -0.029 | 28.856 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 1088 | LEU | 0 | -0.004 | 0.000 | 33.186 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 1089 | ASN | 0 | -0.068 | -0.020 | 35.755 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 1090 | GLY | 0 | -0.007 | -0.001 | 35.786 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 1091 | MET | 0 | -0.103 | -0.055 | 27.770 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 1092 | ASP | -1 | -0.909 | -0.946 | 33.132 | -0.398 | -0.398 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 1093 | GLU | -1 | -0.887 | -0.928 | 28.116 | -0.609 | -0.609 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 1094 | VAL | 0 | 0.038 | 0.021 | 31.140 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 1095 | LEU | 0 | -0.022 | -0.008 | 27.843 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 1096 | ASP | -1 | -0.853 | -0.903 | 28.007 | -0.508 | -0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 1097 | SER | 0 | 0.063 | 0.004 | 30.817 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 1098 | PRO | 0 | 0.033 | 0.011 | 30.960 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 1099 | GLU | -1 | -0.778 | -0.866 | 31.122 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 1100 | ASP | -1 | -0.915 | -0.961 | 31.077 | -0.416 | -0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 1101 | LEU | 0 | -0.084 | -0.040 | 25.867 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 1102 | GLU | -1 | -0.938 | -0.972 | 27.019 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 1103 | LYS | 1 | 0.878 | 0.949 | 28.223 | 0.411 | 0.411 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 1104 | LYS | 1 | 0.777 | 0.863 | 25.958 | 0.530 | 0.530 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 1105 | ARG | 1 | 0.762 | 0.870 | 21.451 | 0.621 | 0.621 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 1106 | ILE | 0 | -0.020 | -0.008 | 22.162 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 1107 | CYS | 0 | -0.025 | -0.015 | 20.168 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 1108 | ARG | 1 | 0.849 | 0.911 | 21.235 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 1109 | ILE | 0 | -0.007 | 0.001 | 17.499 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 1110 | ILE | 0 | 0.023 | 0.030 | 21.680 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 1111 | THR | 0 | -0.015 | -0.045 | 19.917 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 1112 | ARG | 1 | 0.949 | 0.965 | 23.179 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 1113 | ASP | -1 | -0.829 | -0.870 | 21.230 | 0.718 | 0.718 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 1114 | PHE | 0 | 0.014 | 0.023 | 16.024 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 1115 | PRO | 0 | 0.004 | 0.023 | 15.001 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 1116 | GLN | 0 | -0.009 | 0.007 | 8.769 | -0.348 | -0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 1117 | TYR | 0 | -0.055 | -0.040 | 6.069 | 0.372 | 0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 1118 | PHE | 0 | 0.062 | 0.031 | 11.571 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 1119 | ALA | 0 | -0.015 | -0.014 | 12.550 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 1120 | VAL | 0 | 0.046 | 0.030 | 14.738 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 1121 | VAL | 0 | -0.002 | 0.006 | 17.532 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 1122 | SER | 0 | 0.021 | 0.024 | 19.643 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 1123 | ARG | 1 | 0.819 | 0.899 | 22.690 | -0.507 | -0.507 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 1124 | ILE | 0 | 0.015 | 0.007 | 25.263 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 1125 | LYS | 1 | 0.852 | 0.929 | 28.969 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 1126 | GLN | 0 | -0.009 | -0.009 | 28.248 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 1127 | ASP | -1 | -0.747 | -0.822 | 31.242 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 1128 | SER | 0 | 0.019 | -0.009 | 31.829 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 1129 | ASN | 0 | 0.024 | 0.018 | 34.229 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 1130 | LEU | 0 | -0.051 | -0.018 | 35.510 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 1131 | ILE | 0 | 0.011 | 0.017 | 37.385 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 1132 | GLY | 0 | 0.051 | 0.009 | 39.527 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 1133 | PRO | 0 | -0.064 | -0.013 | 42.058 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 1134 | GLU | -1 | -0.725 | -0.855 | 43.517 | 0.335 | 0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 1135 | GLY | 0 | -0.002 | 0.019 | 45.262 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 1136 | GLY | 0 | 0.005 | -0.016 | 44.174 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 1137 | VAL | 0 | -0.011 | -0.006 | 44.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 1138 | LEU | 0 | -0.035 | -0.010 | 36.191 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 1139 | SER | 0 | 0.057 | 0.027 | 40.743 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 1140 | SER | 0 | -0.042 | -0.002 | 37.016 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 1141 | THR | 0 | -0.020 | -0.050 | 35.949 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 1142 | VAL | 0 | -0.032 | -0.004 | 34.602 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 1143 | VAL | 0 | 0.010 | -0.015 | 37.886 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 1144 | PRO | 0 | 0.044 | 0.017 | 40.947 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 1145 | GLN | 0 | 0.025 | 0.012 | 43.359 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 1146 | VAL | 0 | -0.052 | -0.014 | 39.226 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 1147 | GLN | 0 | -0.056 | -0.037 | 41.706 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 1148 | ALA | 0 | 0.022 | 0.012 | 40.567 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 1149 | VAL | 0 | 0.012 | 0.003 | 42.543 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 1150 | PHE | 0 | -0.003 | -0.012 | 39.234 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 1151 | PRO | 0 | 0.022 | 0.019 | 45.041 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 1152 | GLU | -1 | -0.865 | -0.932 | 47.197 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 1153 | GLY | 0 | -0.014 | -0.012 | 47.435 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 1154 | ALA | 0 | -0.011 | 0.002 | 44.488 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 1155 | LEU | 0 | -0.021 | -0.008 | 38.737 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 1156 | THR | 0 | 0.035 | 0.001 | 42.005 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 1157 | LYS | 1 | 0.952 | 0.971 | 35.687 | -0.598 | -0.598 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 1158 | ARG | 1 | 0.899 | 0.932 | 38.874 | -0.366 | -0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 1159 | ILE | 0 | -0.039 | -0.023 | 33.990 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 1160 | ARG | 1 | 0.908 | 0.955 | 30.489 | -0.519 | -0.519 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 1161 | VAL | 0 | -0.017 | 0.004 | 32.926 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 1162 | GLY | 0 | 0.012 | -0.011 | 32.262 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 1163 | LEU | 0 | -0.019 | -0.006 | 33.346 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 1164 | GLN | 0 | -0.020 | -0.010 | 27.879 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 1165 | ALA | 0 | 0.036 | 0.008 | 33.585 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 1166 | GLN | 0 | -0.009 | -0.007 | 31.039 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 1167 | PRO | 0 | 0.004 | -0.007 | 34.606 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 1168 | MET | 0 | -0.003 | 0.028 | 36.083 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 1169 | HIS | 1 | 0.841 | 0.892 | 34.830 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 1170 | SER | 0 | 0.006 | -0.019 | 38.433 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 1171 | GLU | -1 | -0.800 | -0.885 | 37.846 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 1172 | LEU | 0 | 0.030 | 0.019 | 32.764 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 1173 | VAL | 0 | 0.027 | 0.011 | 37.226 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 1174 | LYS | 1 | 0.916 | 0.958 | 39.748 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 1175 | LYS | 1 | 0.775 | 0.894 | 35.533 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 1176 | ILE | 0 | -0.007 | 0.011 | 34.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 1177 | LEU | 0 | -0.013 | -0.001 | 38.949 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 1178 | GLY | 0 | 0.011 | 0.015 | 42.600 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 1179 | ASN | 0 | -0.035 | -0.047 | 44.834 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 1180 | LYS | 1 | 0.920 | 0.964 | 45.584 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 1181 | ALA | 0 | 0.027 | 0.013 | 44.355 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 1182 | THR | 0 | -0.094 | -0.040 | 44.503 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 1183 | PHE | 0 | 0.049 | 0.011 | 40.982 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 1184 | SER | 0 | 0.034 | 0.025 | 41.348 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 1185 | PRO | 0 | -0.010 | -0.029 | 38.387 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 1186 | ILE | 0 | -0.002 | 0.029 | 33.918 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 1187 | VAL | 0 | 0.016 | 0.007 | 36.059 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 1188 | THR | 0 | -0.012 | -0.003 | 31.012 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 1189 | LEU | 0 | -0.001 | 0.006 | 34.325 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 1190 | GLU | -1 | -0.746 | -0.851 | 28.747 | 0.754 | 0.754 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 1191 | PRO | 0 | -0.026 | -0.014 | 30.045 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 1192 | ARG | 1 | 0.827 | 0.894 | 27.011 | -0.769 | -0.769 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 1193 | ARG | 1 | 0.888 | 0.952 | 32.169 | -0.614 | -0.614 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 1194 | ARG | 1 | 0.912 | 0.969 | 29.880 | -0.740 | -0.740 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 1195 | LYS | 1 | 0.968 | 0.986 | 36.286 | -0.434 | -0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 1196 | PHE | 0 | 0.007 | 0.000 | 37.985 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 1197 | HIS | 0 | -0.044 | -0.029 | 42.247 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 1198 | LYS | 1 | 0.858 | 0.930 | 45.498 | -0.302 | -0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 1199 | PRO | 0 | -0.007 | -0.004 | 45.724 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 1200 | ILE | 0 | -0.010 | 0.005 | 41.739 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 1201 | THR | 0 | 0.010 | -0.001 | 45.008 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 1202 | MET | 0 | -0.027 | -0.001 | 40.068 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 1203 | THR | 0 | 0.033 | 0.010 | 44.388 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 1204 | ILE | 0 | -0.009 | -0.011 | 41.453 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 1205 | PRO | 0 | 0.027 | 0.011 | 43.512 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 1206 | VAL | 0 | 0.014 | 0.011 | 45.701 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 1207 | PRO | 0 | -0.039 | -0.011 | 45.591 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 1208 | LYS | 1 | 0.923 | 0.955 | 45.236 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 1209 | ALA | 0 | -0.035 | -0.027 | 47.450 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 1210 | SER | 0 | -0.018 | -0.019 | 49.894 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 1220 | GLY | 0 | -0.003 | -0.022 | 51.665 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 1221 | ASP | -1 | -0.929 | -0.943 | 53.269 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 1222 | ALA | 0 | 0.034 | 0.004 | 53.935 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 1223 | PRO | 0 | -0.009 | -0.005 | 54.334 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 1224 | THR | 0 | -0.040 | -0.053 | 51.944 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 1225 | LEU | 0 | -0.041 | 0.002 | 48.187 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 1226 | ARG | 1 | 0.839 | 0.895 | 47.013 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 1227 | LEU | 0 | -0.001 | 0.001 | 43.585 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 1228 | LEU | 0 | -0.013 | 0.001 | 41.089 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 1229 | CYS | 0 | -0.035 | -0.029 | 39.369 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 1230 | SER | 0 | 0.076 | 0.051 | 33.824 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 1231 | ILE | 0 | 0.027 | 0.003 | 35.615 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 1232 | THR | 0 | -0.036 | -0.020 | 31.276 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 1233 | GLY | 0 | 0.037 | 0.014 | 30.075 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 1234 | GLY | 0 | -0.001 | 0.001 | 26.035 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 1235 | THR | 0 | 0.038 | 0.006 | 20.974 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 1236 | THR | 0 | -0.060 | -0.020 | 24.310 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 1237 | PRO | 0 | 0.075 | 0.023 | 26.828 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 1238 | ALA | 0 | -0.074 | -0.004 | 28.989 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 1239 | GLN | 0 | -0.024 | -0.017 | 32.346 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 1240 | TRP | 0 | -0.069 | -0.035 | 34.538 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 1241 | GLU | -1 | -0.869 | -0.934 | 38.257 | 0.332 | 0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 1242 | ASP | -1 | -0.798 | -0.867 | 41.683 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 1243 | ILE | 0 | 0.004 | 0.003 | 43.461 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 1244 | THR | 0 | 0.005 | -0.027 | 46.399 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 1245 | GLY | 0 | -0.041 | -0.010 | 49.384 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 1246 | THR | 0 | -0.035 | -0.024 | 47.938 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 1247 | THR | 0 | -0.033 | -0.011 | 46.978 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 1248 | PRO | 0 | -0.012 | -0.012 | 49.888 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 1249 | LEU | 0 | -0.013 | 0.000 | 48.892 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 1250 | THR | 0 | -0.003 | 0.000 | 52.092 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 1251 | PHE | 0 | 0.014 | 0.008 | 52.085 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 1252 | VAL | 0 | 0.012 | -0.004 | 53.012 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 1253 | ASN | 0 | 0.012 | 0.009 | 52.435 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 1254 | GLU | -1 | -0.882 | -0.934 | 51.436 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 1255 | CYS | 0 | -0.110 | -0.044 | 48.355 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 1256 | VAL | 0 | 0.028 | 0.014 | 47.918 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 1257 | SER | 0 | -0.039 | -0.017 | 47.791 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 1258 | PHE | 0 | 0.047 | 0.013 | 43.015 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 1259 | THR | 0 | -0.002 | -0.001 | 46.955 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 1260 | THR | 0 | 0.032 | 0.016 | 41.450 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 1261 | ASN | 0 | 0.005 | 0.002 | 44.063 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 1262 | VAL | 0 | -0.017 | -0.017 | 38.864 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 1263 | SER | 0 | -0.012 | -0.008 | 34.728 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 1264 | ALA | 0 | -0.014 | -0.014 | 35.395 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 1265 | ARG | 1 | 0.902 | 0.952 | 28.208 | -0.552 | -0.552 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 1266 | PHE | 0 | 0.045 | 0.005 | 35.965 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 1267 | TRP | 0 | -0.016 | -0.019 | 37.073 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 1268 | LEU | 0 | 0.046 | 0.036 | 40.496 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 1269 | ILE | 0 | 0.004 | -0.008 | 43.132 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 1270 | ASP | -1 | -0.776 | -0.821 | 45.044 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 1271 | CYS | 0 | -0.054 | -0.032 | 46.886 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 1272 | ARG | 1 | 0.967 | 0.978 | 48.995 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 1273 | GLN | 0 | -0.049 | -0.014 | 49.582 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 1274 | ILE | 0 | 0.093 | 0.050 | 49.237 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 1275 | GLN | 0 | 0.052 | 0.037 | 48.763 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 1276 | GLU | -1 | -0.891 | -0.937 | 46.051 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 1277 | SER | 0 | -0.017 | -0.030 | 44.680 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 1278 | VAL | 0 | 0.060 | 0.028 | 40.206 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 1279 | THR | 0 | -0.005 | 0.009 | 40.351 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 1280 | PHE | 0 | 0.007 | -0.021 | 40.225 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 1281 | ALA | 0 | 0.036 | 0.017 | 39.125 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 1282 | SER | 0 | -0.012 | -0.021 | 36.245 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 1283 | GLN | 0 | -0.071 | -0.038 | 35.305 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 1284 | VAL | 0 | 0.010 | 0.001 | 35.115 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 1285 | TYR | 0 | -0.031 | -0.035 | 30.329 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 1286 | ARG | 1 | 0.957 | 0.977 | 30.539 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 1287 | GLU | -1 | -0.842 | -0.906 | 29.647 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 1288 | ILE | 0 | -0.045 | -0.034 | 29.803 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 1289 | ILE | 0 | 0.010 | 0.025 | 26.644 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 1290 | CYS | 0 | -0.063 | -0.006 | 25.326 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 1291 | VAL | 0 | 0.023 | 0.014 | 21.536 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 1292 | PRO | 0 | -0.033 | -0.004 | 23.642 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 1293 | TYR | 0 | -0.010 | -0.041 | 18.069 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 1294 | MET | 0 | -0.078 | -0.027 | 22.545 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 1295 | ALA | 0 | 0.016 | 0.008 | 20.678 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 1296 | LYS | 1 | 0.795 | 0.876 | 20.726 | 1.253 | 1.253 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 1297 | PHE | 0 | 0.018 | -0.004 | 21.295 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 1298 | VAL | 0 | -0.018 | -0.011 | 20.435 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 1299 | VAL | 0 | 0.005 | -0.003 | 23.122 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 1300 | PHE | 0 | 0.063 | 0.026 | 20.303 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 1301 | ALA | 0 | -0.005 | -0.013 | 24.838 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 1302 | LYS | 1 | 0.990 | 1.007 | 26.552 | 0.973 | 0.973 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 1303 | SER | 0 | -0.040 | -0.037 | 28.828 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 1304 | HIS | 0 | -0.036 | -0.016 | 30.877 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 1305 | ASP | -1 | -0.767 | -0.895 | 32.963 | -0.496 | -0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 1306 | PRO | 0 | -0.024 | -0.016 | 36.763 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 1307 | ILE | 0 | -0.068 | -0.031 | 38.857 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 1308 | GLU | -1 | -0.831 | -0.908 | 33.182 | -0.538 | -0.538 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 1309 | ALA | 0 | 0.001 | -0.001 | 31.858 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 1310 | ARG | 1 | 0.772 | 0.874 | 27.249 | 0.707 | 0.707 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 1311 | LEU | 0 | 0.010 | -0.007 | 27.272 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 1312 | ARG | 1 | 0.855 | 0.924 | 20.158 | 1.471 | 1.471 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 1313 | CYS | 0 | -0.048 | -0.008 | 23.502 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 1314 | PHE | 0 | 0.018 | 0.010 | 17.060 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 1315 | CYS | 0 | -0.044 | -0.011 | 19.579 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 1316 | MET | 0 | 0.022 | 0.023 | 13.247 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 1317 | THR | 0 | 0.053 | 0.032 | 14.403 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 1318 | ASP | -1 | -0.794 | -0.863 | 15.329 | -2.065 | -2.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 1319 | ASP | -1 | -0.782 | -0.899 | 12.242 | -3.178 | -3.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 1320 | LYS | 1 | 0.836 | 0.915 | 13.767 | 1.778 | 1.778 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 1321 | VAL | 0 | -0.036 | -0.002 | 7.470 | -0.763 | -0.763 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 1322 | ASP | -1 | -0.829 | -0.899 | 8.510 | -7.228 | -7.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 1323 | LYS | 1 | 0.785 | 0.850 | 9.310 | 5.214 | 5.214 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 1324 | THR | 0 | 0.033 | 0.011 | 11.517 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 1325 | LEU | 0 | -0.029 | -0.023 | 13.971 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 1326 | GLU | -1 | -0.849 | -0.893 | 15.060 | -3.554 | -3.554 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 1327 | GLN | 0 | -0.027 | -0.011 | 12.413 | -0.432 | -0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 1328 | GLN | 0 | -0.026 | -0.021 | 16.010 | 0.302 | 0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 1329 | GLU | -1 | -0.831 | -0.917 | 17.844 | -2.345 | -2.345 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 1330 | ASN | 0 | -0.103 | -0.076 | 21.500 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 1331 | PHE | 0 | -0.055 | -0.014 | 23.182 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 1332 | ALA | 0 | 0.021 | 0.021 | 24.919 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 1333 | GLU | -1 | -0.810 | -0.873 | 22.714 | -1.424 | -1.424 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 1334 | VAL | 0 | -0.010 | -0.010 | 25.676 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 1335 | ALA | 0 | -0.018 | -0.010 | 27.235 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 1336 | ARG | 1 | 0.813 | 0.873 | 20.614 | 1.437 | 1.437 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 1337 | SER | 0 | -0.040 | -0.013 | 25.592 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 1338 | ARG | 1 | 0.968 | 0.968 | 25.901 | 0.500 | 0.500 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 1339 | ASP | -1 | -0.773 | -0.849 | 23.452 | -0.949 | -0.949 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 1340 | VAL | 0 | -0.040 | -0.027 | 25.271 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 1341 | GLU | -1 | -0.818 | -0.888 | 25.315 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 1342 | VAL | 0 | -0.020 | -0.005 | 22.267 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 1343 | LEU | 0 | -0.028 | -0.019 | 24.621 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 1344 | GLU | -1 | -0.806 | -0.919 | 18.082 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 1345 | GLY | 0 | 0.010 | 0.005 | 20.747 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 1346 | LYS | 1 | 0.745 | 0.861 | 21.874 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 1347 | PRO | 0 | -0.014 | -0.015 | 24.122 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 1348 | ILE | 0 | -0.026 | -0.006 | 23.327 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 1349 | TYR | 0 | -0.016 | -0.001 | 26.935 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 1350 | VAL | 0 | -0.004 | -0.008 | 27.338 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 1351 | ASP | -1 | -0.836 | -0.925 | 30.561 | -0.295 | -0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 1352 | CYS | 0 | -0.058 | -0.032 | 33.504 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 1353 | PHE | 0 | -0.007 | 0.003 | 35.261 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 1354 | GLY | 0 | 0.039 | 0.017 | 38.058 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 1355 | ASN | 0 | -0.025 | -0.036 | 40.116 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 1356 | LEU | 0 | 0.028 | 0.033 | 34.216 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 1357 | VAL | 0 | -0.018 | -0.013 | 37.647 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 1358 | PRO | 0 | 0.021 | 0.008 | 33.305 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 1359 | LEU | 0 | 0.024 | 0.029 | 33.964 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 1360 | THR | 0 | 0.002 | -0.025 | 34.153 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 1361 | LYS | 1 | 0.969 | 0.993 | 36.146 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 1362 | SER | 0 | -0.037 | -0.035 | 38.178 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 1363 | GLY | 0 | 0.017 | 0.013 | 39.516 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 1364 | GLN | 0 | -0.012 | 0.006 | 32.616 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 1365 | HIS | 0 | 0.053 | 0.044 | 33.384 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 1366 | HIS | 0 | 0.026 | 0.018 | 28.619 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 1367 | ILE | 0 | -0.024 | -0.022 | 26.814 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 1368 | PHE | 0 | 0.030 | 0.027 | 20.949 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 1369 | SER | 0 | -0.015 | -0.028 | 21.590 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 1370 | PHE | 0 | -0.008 | 0.008 | 18.642 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 1371 | PHE | 0 | 0.008 | 0.002 | 16.047 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 1372 | ALA | 0 | 0.020 | 0.017 | 15.933 | -0.300 | -0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 1373 | PHE | 0 | -0.096 | -0.055 | 10.917 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 1374 | LYS | 1 | 0.979 | 0.998 | 10.484 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 1375 | GLU | -1 | -0.782 | -0.889 | 11.946 | -2.600 | -2.600 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 1376 | ASN | 0 | -0.101 | -0.057 | 13.838 | 0.345 | 0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 1377 | ARG | 1 | 0.832 | 0.888 | 16.643 | 1.687 | 1.687 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 1378 | LEU | 0 | -0.024 | -0.011 | 19.250 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 1379 | PRO | 0 | 0.025 | 0.029 | 22.180 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 1380 | LEU | 0 | -0.018 | -0.031 | 24.636 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 1381 | PHE | 0 | 0.031 | 0.033 | 27.186 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 1382 | VAL | 0 | -0.028 | -0.026 | 31.018 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 1383 | LYS | 1 | 0.967 | 0.995 | 33.917 | 0.341 | 0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 1384 | VAL | 0 | 0.033 | 0.012 | 37.348 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 1385 | ARG | 1 | 0.776 | 0.888 | 39.824 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 1386 | ASP | -1 | -0.816 | -0.892 | 42.693 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 1387 | THR | 0 | 0.015 | 0.002 | 44.176 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 1388 | THR | 0 | -0.072 | -0.050 | 45.221 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 1389 | GLN | 0 | -0.060 | -0.026 | 44.230 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 1390 | GLU | -1 | -0.800 | -0.877 | 39.210 | -0.525 | -0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 1391 | PRO | 0 | 0.032 | 0.036 | 37.590 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 1392 | CYS | 0 | -0.048 | -0.020 | 36.887 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 1393 | GLY | 0 | 0.031 | -0.009 | 36.491 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 1394 | ARG | 1 | 0.872 | 0.933 | 34.840 | 0.398 | 0.398 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 1395 | LEU | 0 | 0.052 | 0.039 | 29.021 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 1396 | SER | 0 | -0.027 | -0.031 | 32.744 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 1397 | PHE | 0 | 0.052 | 0.025 | 26.006 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 1398 | MET | 0 | -0.069 | -0.017 | 29.878 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 1399 | LYS | 1 | 0.909 | 0.966 | 29.173 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 1400 | GLU | -1 | -0.781 | -0.924 | 31.193 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 1401 | PRO | 0 | -0.034 | -0.012 | 33.963 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 1402 | LYS | 1 | 0.869 | 0.940 | 33.682 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 1403 | SER | 0 | 0.007 | 0.006 | 34.673 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 1404 | THR | 0 | 0.109 | 0.040 | 37.332 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 1405 | ARG | 1 | 0.882 | 0.942 | 38.030 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 1406 | GLY | 0 | 0.032 | -0.005 | 36.716 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 1407 | LEU | 0 | -0.068 | -0.022 | 37.554 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 1408 | VAL | 0 | -0.048 | -0.017 | 40.465 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 1409 | HIS | 0 | -0.002 | -0.005 | 38.816 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 1410 | GLN | 0 | 0.035 | 0.012 | 33.551 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 1411 | ALA | 0 | 0.037 | 0.025 | 33.302 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 1412 | ILE | 0 | -0.109 | -0.051 | 27.427 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 1413 | CYS | 0 | -0.035 | -0.013 | 28.198 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 1414 | ASN | 0 | 0.004 | 0.004 | 31.046 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 1415 | LEU | 0 | -0.015 | 0.000 | 27.226 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 1416 | ASN | 0 | 0.008 | 0.011 | 31.805 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 1417 | ILE | 0 | 0.019 | 0.008 | 30.246 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 1418 | THR | 0 | -0.023 | -0.045 | 33.168 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 1419 | LEU | 0 | 0.023 | 0.018 | 32.135 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 1420 | PRO | 0 | -0.001 | 0.015 | 30.126 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 1421 | ILE | 0 | -0.001 | -0.002 | 33.403 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 1422 | TYR | 0 | -0.019 | 0.010 | 35.034 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 1423 | THR | -1 | -0.938 | -0.962 | 36.643 | -0.552 | -0.552 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 1452 | GLU | -1 | -0.938 | -0.977 | 34.507 | -0.344 | -0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 1453 | GLU | -1 | -0.902 | -0.956 | 34.040 | -0.325 | -0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 1454 | ARG | 1 | 0.860 | 0.896 | 29.632 | 0.660 | 0.660 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 1455 | LEU | 0 | 0.017 | 0.007 | 29.228 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 1456 | ALA | 0 | 0.044 | 0.034 | 29.657 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 1457 | TYR | 0 | 0.051 | 0.028 | 27.852 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 1458 | ILE | 0 | 0.005 | 0.005 | 24.686 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 1459 | ALA | 0 | 0.017 | 0.002 | 25.675 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 1460 | ASP | -1 | -0.846 | -0.906 | 26.672 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 1461 | HIS | 1 | 0.814 | 0.897 | 23.749 | 0.455 | 0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 1462 | LEU | 0 | 0.011 | 0.023 | 21.321 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 1463 | GLY | 0 | 0.049 | 0.023 | 21.164 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 1464 | PHE | 0 | 0.009 | -0.025 | 19.004 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 1465 | SER | 0 | 0.024 | 0.010 | 16.802 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 1466 | TRP | 0 | -0.023 | 0.001 | 19.035 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 1467 | THR | 0 | -0.050 | -0.025 | 19.818 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 1468 | GLU | -1 | -0.902 | -0.939 | 14.140 | -0.970 | -0.970 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 1469 | LEU | 0 | 0.045 | 0.014 | 17.758 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 1470 | ALA | 0 | 0.004 | 0.000 | 20.087 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 1471 | ARG | 1 | 0.803 | 0.863 | 17.882 | 0.473 | 0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 1472 | GLU | -1 | -0.791 | -0.873 | 15.836 | -2.058 | -2.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 1473 | LEU | 0 | -0.015 | 0.002 | 19.471 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 1474 | ASP | -1 | -0.838 | -0.898 | 22.112 | -1.060 | -1.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 1475 | PHE | 0 | -0.011 | -0.004 | 23.677 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 1476 | THR | 0 | -0.012 | -0.018 | 23.669 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 1477 | GLU | -1 | -0.768 | -0.872 | 21.117 | -0.291 | -0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 1478 | GLU | -1 | -0.985 | -0.983 | 24.974 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 1479 | GLN | 0 | 0.060 | 0.033 | 27.742 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 1480 | ILE | 0 | 0.002 | 0.016 | 22.044 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 1481 | HIS | 0 | -0.022 | -0.032 | 25.485 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 1482 | GLN | 0 | -0.049 | -0.023 | 28.651 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 1483 | ILE | 0 | 0.045 | 0.033 | 27.793 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 1484 | ARG | 1 | 0.910 | 0.960 | 24.187 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 1485 | ILE | 0 | -0.063 | -0.033 | 29.961 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 1486 | GLU | -1 | -0.834 | -0.890 | 33.487 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 1487 | ASN | 0 | -0.032 | -0.007 | 31.546 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 1488 | PRO | 0 | 0.047 | 0.027 | 31.691 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 1489 | ASN | 0 | -0.083 | -0.059 | 30.402 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 1490 | SER | 0 | 0.028 | 0.005 | 30.345 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 1491 | LEU | 0 | -0.016 | -0.010 | 23.543 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 1492 | GLN | 0 | -0.018 | 0.009 | 27.078 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 1493 | ASP | -1 | -0.802 | -0.883 | 29.270 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 1494 | GLN | 0 | -0.030 | -0.039 | 26.989 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 1495 | SER | 0 | -0.038 | -0.023 | 25.834 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 1496 | HIS | 0 | -0.028 | -0.036 | 27.522 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 1497 | ALA | 0 | -0.030 | -0.007 | 31.037 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 1498 | LEU | 0 | -0.023 | -0.005 | 23.999 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 1499 | LEU | 0 | -0.004 | -0.010 | 25.776 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 1500 | LYS | 1 | 0.950 | 0.997 | 29.391 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 1501 | TYR | 0 | -0.037 | -0.055 | 30.832 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 1502 | TRP | 0 | -0.068 | -0.028 | 27.132 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 1503 | LEU | 0 | 0.006 | 0.003 | 30.177 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 1504 | GLU | -1 | -0.946 | -0.990 | 33.071 | -0.296 | -0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 1505 | ARG | 1 | 0.703 | 0.836 | 26.691 | 0.689 | 0.689 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 1506 | ASP | -1 | -0.724 | -0.830 | 28.945 | -0.717 | -0.717 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 1507 | GLY | 0 | 0.007 | 0.010 | 32.604 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 1508 | LYS | 1 | 0.908 | 0.937 | 34.842 | 0.435 | 0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 1509 | HIS | 0 | 0.018 | 0.008 | 30.715 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 1510 | ALA | 0 | -0.036 | 0.009 | 29.600 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 1511 | THR | 0 | -0.010 | -0.013 | 28.923 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 1512 | ASP | -1 | -0.773 | -0.888 | 27.683 | -0.793 | -0.793 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 1513 | THR | 0 | 0.001 | -0.001 | 25.316 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 1514 | ASN | 0 | -0.008 | -0.004 | 23.937 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 1515 | LEU | 0 | 0.027 | 0.031 | 22.758 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 1516 | VAL | 0 | 0.016 | 0.004 | 21.306 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 1517 | GLU | -1 | -0.829 | -0.883 | 19.703 | -1.660 | -1.660 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 1518 | CYS | 0 | -0.028 | -0.014 | 18.074 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 1519 | LEU | 0 | -0.012 | -0.016 | 17.338 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 1520 | THR | 0 | -0.040 | -0.042 | 14.855 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 1521 | LYS | 0 | -0.082 | -0.024 | 12.340 | -0.516 | -0.516 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 1522 | ILE | 0 | -0.053 | -0.027 | 12.373 | -0.485 | -0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 1523 | ASN | 0 | -0.054 | -0.027 | 10.942 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 1524 | ARG | 1 | 0.780 | 0.861 | 13.072 | 1.087 | 1.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 1525 | MET | 0 | 0.019 | 0.000 | 14.066 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 1526 | ASP | -1 | -0.858 | -0.906 | 17.520 | -0.808 | -0.808 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 1527 | ILE | 0 | 0.006 | 0.001 | 20.067 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 1528 | VAL | 0 | -0.065 | -0.012 | 19.615 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 1529 | HIS | 0 | -0.048 | -0.007 | 20.140 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |