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: N692Q
Calculation Name: 7DR0-A-Other547
Preferred Name:
Target Type:
Ligand Name: chlorophyll a | chlorophyll a isomer | beta-carotene | 1,2-distearoyl-monogalactosyl-diglyceride | 1,2-dipalmitoyl-phosphatidyl-glycerole | phylloquinone | iron/sulfur cluster
Ligand 3-letter code: CLA | CL0 | BCR | LMG | LHG | PQN | SF4
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 7DR0
Chain ID: A
Base Structure: ElectronMicroscopy
Registration Date: 2025-10-06
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 | 739 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -17285902.138349 |
|---|---|
| FMO2-HF: Nuclear repulsion | 17001264.629486 |
| FMO2-HF: Total energy | -284637.508863 |
| FMO2-MP2: Total energy | -285475.027848 |
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:14:LYS)
Summations of interaction energy for
fragment #1(A:14:LYS)
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| -37.897 | -33.964 | 0.202 | -1.693 | -2.44 | -0.013 |
Interaction energy analysis for fragmet #1(A:14:LYS)
| 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 | 16 | VAL | 0 | 0.004 | -0.002 | 2.963 | -8.258 | -5.415 | 0.204 | -1.298 | -1.749 | -0.010 |
| 4 | A | 17 | ILE | 0 | -0.021 | -0.015 | 4.879 | 4.306 | 4.346 | -0.001 | -0.007 | -0.032 | 0.000 |
| 177 | A | 190 | TRP | 0 | -0.091 | -0.034 | 4.399 | -8.721 | -8.441 | -0.001 | -0.058 | -0.221 | 0.000 |
| 180 | A | 193 | ASN | 0 | -0.099 | -0.029 | 3.832 | -3.831 | -3.209 | 0.001 | -0.311 | -0.312 | -0.003 |
| 302 | A | 315 | ASN | 0 | -0.034 | -0.032 | 4.626 | 2.568 | 2.716 | -0.001 | -0.019 | -0.126 | 0.000 |
| 5 | A | 18 | ASP | -1 | -0.759 | -0.848 | 8.730 | -49.351 | -49.351 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 19 | LYS | 1 | 0.871 | 0.917 | 11.853 | 39.868 | 39.868 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 20 | ASP | -1 | -0.876 | -0.936 | 14.419 | -27.755 | -27.755 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 21 | PRO | 0 | -0.003 | 0.024 | 15.544 | 1.059 | 1.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 22 | VAL | 0 | 0.006 | 0.006 | 18.135 | 1.537 | 1.537 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 23 | SER | 0 | 0.067 | 0.037 | 21.283 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 24 | THR | 0 | -0.039 | -0.019 | 24.000 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 25 | SER | 0 | 0.012 | -0.016 | 26.008 | 0.674 | 0.674 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 26 | PHE | 0 | 0.020 | 0.006 | 29.510 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 27 | ASP | -1 | -0.843 | -0.890 | 31.886 | -18.656 | -18.656 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 28 | LYS | 1 | 0.877 | 0.917 | 27.571 | 22.357 | 22.357 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 29 | TRP | 0 | -0.031 | -0.012 | 29.497 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 30 | ALA | 0 | 0.010 | 0.023 | 33.829 | 0.445 | 0.445 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 31 | VAL | 0 | -0.013 | 0.001 | 35.297 | 0.491 | 0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 32 | PRO | 0 | 0.028 | 0.002 | 34.874 | -0.604 | -0.604 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 33 | GLY | 0 | 0.038 | -0.003 | 34.064 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 34 | HIS | 0 | -0.041 | -0.015 | 28.482 | -0.499 | -0.499 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 35 | PHE | 0 | -0.009 | 0.005 | 28.266 | -0.338 | -0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 36 | SER | 0 | 0.077 | 0.044 | 28.900 | -0.707 | -0.707 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 37 | ARG | 1 | 0.934 | 0.962 | 31.372 | 18.337 | 18.337 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 38 | THR | 0 | 0.005 | 0.003 | 33.412 | 0.435 | 0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 39 | LEU | 0 | -0.016 | 0.013 | 34.185 | 0.689 | 0.689 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 40 | ALA | 0 | 0.055 | 0.028 | 34.865 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 41 | LYS | 1 | 0.848 | 0.917 | 36.991 | 16.503 | 16.503 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 42 | GLY | 0 | 0.058 | 0.044 | 40.166 | 0.408 | 0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 43 | PRO | 0 | -0.008 | -0.005 | 42.353 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 44 | LYS | 1 | 0.971 | 0.973 | 44.263 | 13.734 | 13.734 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 45 | THR | 0 | -0.027 | -0.001 | 46.025 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 46 | THR | 0 | 0.059 | -0.008 | 45.618 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 47 | THR | 0 | -0.038 | -0.022 | 43.657 | -0.310 | -0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 48 | TRP | 0 | 0.014 | 0.015 | 38.606 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 49 | ILE | 0 | 0.065 | 0.027 | 39.903 | -0.420 | -0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 50 | TRP | 0 | 0.013 | 0.018 | 39.952 | -0.372 | -0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 51 | ASN | 0 | -0.014 | -0.020 | 37.821 | -0.306 | -0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 52 | LEU | 0 | 0.046 | 0.030 | 34.662 | -0.484 | -0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 53 | HIS | 0 | -0.048 | -0.039 | 34.479 | -0.588 | -0.588 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 54 | ALA | 0 | -0.056 | -0.014 | 34.721 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 55 | ASP | -1 | -0.911 | -0.971 | 31.507 | -18.999 | -18.999 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 56 | VAL | 0 | 0.037 | 0.027 | 29.953 | -0.626 | -0.626 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 57 | HIS | 0 | 0.023 | 0.009 | 26.666 | -1.054 | -1.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 58 | ASP | -1 | -0.858 | -0.908 | 25.787 | -22.657 | -22.657 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 59 | PHE | 0 | 0.060 | 0.015 | 21.931 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 60 | ASP | -1 | -0.841 | -0.907 | 22.485 | -26.665 | -26.665 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 61 | SER | 0 | -0.097 | -0.035 | 24.275 | 0.439 | 0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 62 | TYR | 0 | -0.022 | -0.031 | 26.044 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 63 | THR | 0 | -0.078 | -0.049 | 22.058 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 64 | SER | 0 | -0.008 | -0.010 | 22.933 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 65 | ASP | -1 | -0.855 | -0.938 | 17.611 | -35.179 | -35.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 66 | LEU | 0 | 0.030 | 0.027 | 15.355 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 67 | GLU | -1 | -0.799 | -0.881 | 11.617 | -49.891 | -49.891 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 68 | GLU | -1 | -0.790 | -0.890 | 14.669 | -32.612 | -32.612 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 69 | VAL | 0 | -0.020 | -0.005 | 17.855 | 1.259 | 1.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 70 | SER | 0 | -0.043 | -0.037 | 13.732 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 71 | ARG | 1 | 0.844 | 0.908 | 12.066 | 42.888 | 42.888 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 72 | LYS | 1 | 0.893 | 0.975 | 16.032 | 29.633 | 29.633 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 73 | ILE | 0 | -0.026 | 0.003 | 17.391 | 1.074 | 1.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 74 | PHE | 0 | 0.024 | 0.008 | 12.256 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 75 | SER | 0 | -0.027 | -0.026 | 16.378 | 1.207 | 1.207 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 76 | ALA | 0 | 0.020 | 0.008 | 18.879 | 1.343 | 1.343 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 77 | HIS | 0 | -0.023 | -0.012 | 17.774 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 78 | PHE | 0 | 0.007 | 0.012 | 15.047 | 0.571 | 0.571 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 79 | GLY | 0 | 0.022 | 0.014 | 20.517 | 1.033 | 1.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 80 | HIS | 0 | -0.007 | -0.011 | 23.431 | 1.046 | 1.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 81 | LEU | 0 | 0.015 | -0.006 | 19.278 | 0.828 | 0.828 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 82 | ALA | 0 | -0.002 | 0.012 | 23.729 | 0.784 | 0.784 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 83 | VAL | 0 | 0.009 | 0.001 | 25.955 | 0.857 | 0.857 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 84 | VAL | 0 | -0.008 | 0.008 | 26.416 | 0.798 | 0.798 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 85 | PHE | 0 | 0.023 | 0.002 | 23.065 | 0.572 | 0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 86 | ILE | 0 | 0.013 | 0.012 | 28.516 | 0.651 | 0.651 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 87 | TRP | 0 | -0.009 | 0.011 | 31.118 | 0.473 | 0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 88 | LEU | 0 | 0.007 | 0.002 | 28.487 | 0.535 | 0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 89 | SER | 0 | -0.041 | -0.035 | 32.364 | 0.532 | 0.532 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 90 | GLY | 0 | 0.015 | 0.009 | 33.968 | 0.499 | 0.499 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 91 | ALA | 0 | 0.004 | -0.002 | 35.587 | 0.510 | 0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 92 | TYR | 0 | 0.028 | 0.006 | 32.981 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 93 | PHE | 0 | -0.005 | -0.005 | 37.346 | 0.417 | 0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 94 | HIS | 0 | -0.029 | -0.023 | 39.492 | 0.589 | 0.589 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 95 | GLY | 0 | 0.036 | 0.020 | 40.751 | 0.358 | 0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 96 | ALA | 0 | -0.023 | 0.001 | 40.739 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 97 | ARG | 1 | 0.871 | 0.941 | 42.717 | 13.998 | 13.998 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 98 | PHE | 0 | -0.028 | -0.015 | 44.280 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 99 | SER | 0 | -0.006 | -0.020 | 45.076 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 100 | ASN | 0 | 0.043 | 0.022 | 47.236 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 101 | TYR | 0 | -0.030 | -0.038 | 42.217 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 102 | GLU | -1 | -0.889 | -0.946 | 46.899 | -11.802 | -11.802 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 103 | ALA | 0 | 0.061 | 0.023 | 48.742 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 104 | TRP | 0 | -0.056 | -0.030 | 44.713 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 105 | LEU | 0 | -0.039 | -0.027 | 44.481 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 106 | SER | 0 | -0.002 | 0.011 | 48.602 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 107 | ASN | 0 | -0.060 | -0.027 | 52.273 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 108 | PRO | 0 | 0.034 | 0.021 | 48.569 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 109 | THR | 0 | -0.031 | -0.020 | 50.465 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 110 | THR | 0 | -0.074 | -0.026 | 52.855 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 111 | ILE | 0 | -0.016 | 0.006 | 51.638 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 112 | LYS | 1 | 0.917 | 0.966 | 51.476 | 11.104 | 11.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 113 | PRO | 0 | 0.009 | 0.006 | 46.100 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 114 | SER | 0 | -0.012 | -0.019 | 48.168 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 115 | ALA | 0 | 0.007 | -0.014 | 44.654 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 116 | GLN | 0 | -0.048 | -0.021 | 45.512 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 117 | VAL | 0 | 0.042 | 0.024 | 47.057 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 118 | VAL | 0 | -0.041 | -0.015 | 49.964 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 119 | TRP | 0 | 0.021 | 0.002 | 48.546 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 120 | PRO | 0 | 0.025 | 0.006 | 53.964 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 121 | ILE | 0 | 0.010 | 0.008 | 55.116 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 122 | VAL | 0 | -0.035 | -0.017 | 57.773 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 123 | GLY | 0 | 0.059 | 0.034 | 60.059 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 124 | GLN | 0 | -0.068 | -0.043 | 53.135 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 125 | GLU | -1 | -0.916 | -0.957 | 55.953 | -10.489 | -10.489 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 126 | ILE | 0 | 0.064 | 0.037 | 57.547 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 127 | LEU | 0 | -0.068 | -0.047 | 53.150 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 128 | ASN | 0 | -0.045 | -0.008 | 53.583 | -0.420 | -0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 129 | GLY | 0 | 0.061 | 0.026 | 55.286 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 130 | ASP | -1 | -0.859 | -0.923 | 56.283 | -10.362 | -10.362 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 131 | VAL | 0 | -0.075 | -0.024 | 52.016 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 132 | GLY | 0 | 0.039 | 0.002 | 54.429 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 133 | GLY | 0 | 0.016 | 0.009 | 54.821 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 134 | GLY | 0 | -0.017 | -0.006 | 56.665 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 135 | PHE | 0 | -0.024 | -0.027 | 49.796 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 136 | GLN | 0 | -0.037 | -0.017 | 54.925 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 137 | GLY | 0 | -0.009 | -0.006 | 51.715 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 138 | ILE | 0 | 0.009 | 0.019 | 48.649 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 139 | GLN | 0 | 0.043 | 0.034 | 49.374 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 140 | ILE | 0 | -0.076 | -0.033 | 43.169 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 141 | THR | 0 | 0.033 | 0.011 | 44.071 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 142 | SER | 0 | -0.001 | -0.015 | 39.104 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 143 | GLY | 0 | 0.036 | 0.016 | 39.542 | -0.399 | -0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 144 | LEU | 0 | -0.014 | -0.001 | 36.764 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 145 | PHE | 0 | 0.024 | 0.025 | 39.685 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 146 | GLN | 0 | 0.034 | 0.007 | 41.774 | -0.275 | -0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 147 | MET | 0 | 0.000 | 0.005 | 32.986 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 148 | TRP | 0 | -0.013 | -0.006 | 36.165 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 149 | ARG | 1 | 0.977 | 1.005 | 38.820 | 12.928 | 12.928 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 150 | ALA | 0 | -0.021 | -0.009 | 37.897 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 151 | SER | 0 | -0.066 | -0.035 | 35.034 | -0.454 | -0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 152 | GLY | 0 | 0.014 | 0.000 | 36.414 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 153 | ILE | 0 | -0.068 | -0.028 | 36.012 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 154 | THR | 0 | 0.057 | 0.028 | 40.090 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 155 | THR | 0 | 0.015 | 0.007 | 42.575 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 156 | GLU | -1 | -0.788 | -0.907 | 41.963 | -13.611 | -13.611 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 157 | LEU | 0 | -0.020 | -0.005 | 40.936 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 158 | GLN | 0 | 0.068 | 0.032 | 38.187 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 159 | LEU | 0 | 0.019 | 0.039 | 37.046 | -0.580 | -0.580 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 160 | TYR | 0 | -0.006 | -0.013 | 37.233 | -0.342 | -0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 161 | VAL | 0 | -0.012 | -0.008 | 34.444 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 162 | THR | 0 | -0.012 | -0.007 | 32.177 | -0.715 | -0.715 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 163 | ALA | 0 | -0.012 | -0.005 | 32.604 | -0.573 | -0.573 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 164 | ILE | 0 | -0.015 | -0.006 | 33.244 | -0.410 | -0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 165 | GLY | 0 | 0.017 | 0.008 | 30.182 | -0.533 | -0.533 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 166 | ALA | 0 | -0.016 | -0.005 | 28.700 | -0.818 | -0.818 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 167 | LEU | 0 | 0.024 | 0.004 | 28.988 | -0.597 | -0.597 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 168 | VAL | 0 | -0.017 | -0.007 | 27.148 | -0.489 | -0.489 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 169 | MET | 0 | 0.014 | 0.009 | 23.058 | -1.278 | -1.278 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 170 | ALA | 0 | 0.002 | 0.005 | 24.598 | -0.981 | -0.981 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 171 | ALA | 0 | -0.010 | -0.003 | 25.806 | -0.651 | -0.651 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 172 | LEU | 0 | -0.007 | 0.002 | 21.189 | -0.789 | -0.789 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 173 | MET | 0 | -0.010 | -0.003 | 19.467 | -1.955 | -1.955 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 174 | LEU | 0 | 0.030 | 0.011 | 21.277 | -1.099 | -1.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 175 | PHE | 0 | -0.006 | 0.001 | 20.679 | -0.659 | -0.659 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 176 | ALA | 0 | 0.001 | -0.003 | 17.428 | -1.155 | -1.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 177 | GLY | 0 | 0.019 | -0.010 | 17.923 | -1.952 | -1.952 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 178 | TRP | 0 | -0.029 | -0.021 | 19.803 | -1.229 | -1.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 179 | PHE | 0 | -0.005 | -0.005 | 14.747 | -1.292 | -1.292 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 180 | HIS | 1 | 0.806 | 0.889 | 12.726 | 39.811 | 39.811 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 181 | TYR | 0 | -0.023 | -0.029 | 15.925 | -0.769 | -0.769 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 182 | HIS | 0 | -0.056 | -0.028 | 18.055 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 183 | LYS | 1 | 0.879 | 0.927 | 17.536 | 28.372 | 28.372 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 184 | ALA | 0 | -0.027 | -0.019 | 12.855 | -1.200 | -1.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 185 | ALA | 0 | 0.053 | 0.052 | 13.165 | -1.246 | -1.246 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 186 | PRO | 0 | -0.042 | -0.021 | 8.804 | -2.193 | -2.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 187 | LYS | 1 | 0.860 | 0.933 | 7.370 | 56.433 | 56.433 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 188 | LEU | 0 | 0.034 | 0.022 | 9.162 | -1.394 | -1.394 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 189 | GLU | -1 | -0.872 | -0.953 | 5.486 | -67.944 | -67.944 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 191 | PHE | 0 | 0.027 | -0.007 | 5.825 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 192 | GLN | 0 | -0.017 | -0.010 | 8.327 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 194 | ALA | 0 | 0.060 | 0.024 | 6.723 | 0.535 | 0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 195 | GLU | -1 | -0.716 | -0.844 | 9.193 | -45.361 | -45.361 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 196 | SER | 0 | -0.048 | -0.032 | 5.810 | -1.771 | -1.771 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 197 | MET | 0 | -0.007 | 0.006 | 7.716 | 3.476 | 3.476 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 198 | MET | 0 | 0.009 | 0.005 | 9.772 | 3.371 | 3.371 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 199 | ASN | 0 | 0.018 | 0.001 | 9.964 | 4.598 | 4.598 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 200 | HIS | 0 | -0.056 | -0.036 | 6.694 | 2.314 | 2.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 201 | HIS | 0 | 0.001 | -0.006 | 11.451 | 2.800 | 2.800 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 202 | LEU | 0 | -0.014 | 0.010 | 14.551 | 2.154 | 2.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 203 | GLY | 0 | 0.076 | 0.031 | 14.987 | 1.528 | 1.528 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 204 | GLY | 0 | -0.004 | -0.006 | 14.575 | 1.183 | 1.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 205 | LEU | 0 | -0.057 | -0.022 | 15.471 | 1.660 | 1.660 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 206 | PHE | 0 | 0.000 | -0.009 | 17.358 | 1.466 | 1.466 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 207 | GLY | 0 | 0.042 | 0.043 | 18.854 | 1.458 | 1.458 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 208 | LEU | 0 | 0.016 | 0.004 | 16.820 | 1.218 | 1.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 209 | GLY | 0 | 0.012 | 0.036 | 20.352 | 1.044 | 1.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 210 | SER | 0 | -0.020 | -0.031 | 22.300 | 1.092 | 1.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 211 | LEU | 0 | 0.024 | 0.007 | 22.362 | 0.865 | 0.865 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 212 | SER | 0 | -0.058 | -0.044 | 23.418 | 0.968 | 0.968 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 213 | TRP | 0 | 0.027 | 0.011 | 25.671 | 0.705 | 0.705 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 214 | ALA | 0 | 0.004 | 0.011 | 27.891 | 0.830 | 0.830 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 215 | GLY | 0 | 0.008 | 0.004 | 28.583 | 0.638 | 0.638 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 216 | HIS | 0 | -0.029 | -0.024 | 29.868 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 217 | GLN | 0 | -0.010 | -0.003 | 31.424 | 1.028 | 1.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 218 | ILE | 0 | -0.005 | 0.003 | 31.988 | 0.562 | 0.562 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 219 | HIS | 0 | -0.001 | -0.007 | 31.929 | 0.777 | 0.777 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 220 | VAL | 0 | -0.018 | 0.001 | 34.470 | 0.358 | 0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 221 | SER | 0 | -0.023 | -0.016 | 35.415 | 0.348 | 0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 222 | LEU | 0 | 0.004 | 0.001 | 37.298 | 0.461 | 0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 223 | PRO | 0 | -0.018 | 0.005 | 39.115 | 0.411 | 0.411 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 224 | VAL | 0 | 0.030 | 0.043 | 40.631 | 0.348 | 0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 225 | ASN | 0 | -0.032 | -0.047 | 40.655 | 0.532 | 0.532 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 226 | LYS | 1 | 0.908 | 0.968 | 43.587 | 13.793 | 13.793 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 227 | LEU | 0 | 0.028 | 0.019 | 45.731 | 0.293 | 0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 228 | LEU | 0 | -0.001 | -0.011 | 44.589 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 229 | ASP | -1 | -0.884 | -0.946 | 46.100 | -12.873 | -12.873 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 230 | SER | 0 | -0.062 | -0.036 | 49.108 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 231 | GLY | 0 | -0.038 | -0.005 | 51.268 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 232 | VAL | 0 | -0.014 | 0.008 | 50.988 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 233 | SER | 0 | 0.096 | 0.042 | 51.961 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 234 | PRO | 0 | -0.045 | -0.037 | 47.900 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 235 | GLN | 0 | -0.069 | -0.031 | 48.213 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 236 | GLU | -1 | -0.924 | -0.963 | 50.812 | -11.161 | -11.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 237 | ILE | 0 | -0.063 | -0.017 | 45.367 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 238 | PRO | 0 | -0.002 | 0.005 | 45.373 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 239 | LEU | 0 | 0.024 | 0.011 | 42.079 | -0.280 | -0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 240 | PRO | 0 | 0.016 | -0.006 | 37.872 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 241 | HIS | 0 | 0.025 | 0.010 | 37.811 | -0.507 | -0.507 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 242 | GLU | -1 | -0.882 | -0.951 | 38.763 | -13.418 | -13.418 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 243 | PHE | 0 | 0.032 | 0.016 | 39.705 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 244 | ILE | 0 | 0.009 | 0.019 | 34.184 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 245 | LEU | 0 | -0.061 | -0.028 | 38.052 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 246 | ASN | 0 | 0.003 | -0.012 | 40.358 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 247 | LYS | 1 | 0.905 | 0.929 | 38.493 | 15.262 | 15.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 248 | ASP | -1 | -0.857 | -0.918 | 43.357 | -12.736 | -12.736 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 249 | LEU | 0 | -0.055 | -0.022 | 44.475 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 250 | ILE | 0 | -0.042 | -0.018 | 39.941 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 251 | ALA | 0 | 0.004 | 0.011 | 43.344 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 252 | GLN | 0 | -0.034 | -0.027 | 45.845 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 253 | LEU | 0 | -0.058 | -0.026 | 43.387 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 254 | TYR | 0 | -0.021 | -0.009 | 39.045 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 255 | PRO | 0 | 0.045 | 0.029 | 43.470 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 256 | SER | 0 | 0.032 | 0.002 | 41.788 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 257 | PHE | 0 | -0.033 | -0.022 | 36.439 | -0.382 | -0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 258 | GLY | 0 | -0.027 | 0.000 | 40.489 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 259 | GLN | 0 | -0.029 | -0.024 | 40.779 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 260 | GLY | 0 | 0.012 | 0.014 | 37.630 | -0.328 | -0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 261 | LEU | 0 | 0.014 | -0.007 | 30.794 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 262 | THR | 0 | -0.022 | -0.013 | 34.376 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 263 | PRO | 0 | 0.035 | 0.039 | 36.687 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 264 | PHE | 0 | -0.013 | 0.006 | 27.749 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 265 | PHE | 0 | 0.008 | -0.011 | 27.909 | -0.336 | -0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 266 | THR | 0 | -0.065 | -0.049 | 32.703 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 267 | LEU | 0 | -0.022 | -0.008 | 31.245 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 268 | ASN | 0 | 0.019 | 0.028 | 35.116 | 0.302 | 0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 269 | TRP | 0 | -0.063 | -0.056 | 29.882 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 270 | ASN | 0 | -0.003 | 0.008 | 37.106 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 271 | GLU | -1 | -0.837 | -0.899 | 40.452 | -13.439 | -13.439 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 272 | TYR | 0 | -0.046 | -0.034 | 34.563 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 273 | SER | 0 | 0.007 | 0.004 | 39.342 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 274 | ASP | -1 | -0.829 | -0.912 | 41.637 | -13.877 | -13.877 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 275 | PHE | 0 | -0.067 | -0.047 | 35.530 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 276 | LEU | 0 | -0.047 | -0.020 | 33.408 | -0.409 | -0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 277 | THR | 0 | -0.026 | -0.024 | 37.548 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 278 | PHE | 0 | -0.010 | -0.012 | 36.225 | -0.473 | -0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 279 | LYS | 1 | 0.904 | 0.953 | 40.428 | 13.414 | 13.414 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 280 | GLY | 0 | 0.016 | 0.004 | 41.666 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 281 | GLY | 0 | 0.040 | 0.016 | 42.616 | 0.313 | 0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 282 | LEU | 0 | -0.045 | -0.026 | 43.565 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 283 | ASN | 0 | -0.016 | -0.001 | 44.986 | 0.477 | 0.477 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 284 | PRO | 0 | 0.028 | -0.008 | 47.070 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 285 | VAL | 0 | 0.020 | 0.033 | 49.545 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 286 | THR | 0 | -0.030 | -0.016 | 46.036 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 287 | GLY | 0 | 0.012 | 0.004 | 47.625 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 288 | GLY | 0 | 0.012 | 0.014 | 43.315 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 289 | LEU | 0 | -0.008 | -0.011 | 38.136 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 290 | TRP | 0 | 0.019 | 0.006 | 41.513 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 291 | LEU | 0 | 0.047 | 0.010 | 37.043 | -0.319 | -0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 292 | SER | 0 | 0.017 | 0.004 | 37.212 | -0.302 | -0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 293 | ASP | -1 | -0.778 | -0.833 | 37.619 | -14.950 | -14.950 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 294 | SER | 0 | -0.040 | -0.049 | 34.328 | -0.572 | -0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 295 | ALA | 0 | 0.011 | 0.000 | 33.037 | -0.621 | -0.621 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 296 | HIS | 0 | -0.041 | -0.021 | 32.222 | -0.873 | -0.873 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 297 | HIS | 0 | -0.003 | -0.001 | 30.358 | -0.499 | -0.499 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 298 | HIS | 0 | -0.026 | -0.019 | 28.434 | -1.124 | -1.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 299 | LEU | 0 | 0.063 | 0.034 | 27.292 | -0.873 | -0.873 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 300 | ALA | 0 | 0.011 | 0.008 | 27.286 | -0.677 | -0.677 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 301 | ILE | 0 | -0.036 | -0.020 | 25.253 | -0.667 | -0.667 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 302 | ALA | 0 | 0.018 | 0.022 | 23.320 | -0.982 | -0.982 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 303 | VAL | 0 | 0.000 | -0.003 | 22.460 | -1.236 | -1.236 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 304 | LEU | 0 | -0.009 | 0.001 | 22.916 | -0.904 | -0.904 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 305 | PHE | 0 | -0.024 | -0.019 | 20.030 | -0.911 | -0.911 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 306 | ILE | 0 | 0.009 | 0.003 | 18.303 | -1.853 | -1.853 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 307 | VAL | 0 | -0.020 | 0.003 | 18.026 | -1.531 | -1.531 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 308 | ALA | 0 | -0.005 | -0.005 | 18.663 | -1.126 | -1.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 309 | GLY | 0 | -0.011 | -0.017 | 15.032 | -1.408 | -1.408 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 310 | HIS | 0 | -0.101 | -0.051 | 13.602 | -3.591 | -3.591 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 311 | MET | 0 | -0.029 | 0.011 | 15.214 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 312 | TYR | 0 | 0.012 | 0.000 | 12.185 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 313 | ARG | 1 | 0.849 | 0.946 | 10.221 | 38.702 | 38.702 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 314 | THR | 0 | 0.028 | 0.001 | 6.460 | -4.841 | -4.841 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 316 | TRP | 0 | 0.024 | 0.015 | 6.537 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 317 | GLY | 0 | -0.018 | 0.012 | 9.746 | 4.079 | 4.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 318 | ILE | 0 | 0.007 | -0.008 | 11.791 | 1.856 | 1.856 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 319 | GLY | 0 | 0.085 | 0.042 | 12.261 | -2.787 | -2.787 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 320 | HIS | 0 | -0.005 | -0.020 | 14.411 | -1.281 | -1.281 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 321 | SER | 0 | -0.027 | -0.009 | 13.304 | -2.491 | -2.491 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 322 | MET | 0 | -0.010 | -0.034 | 13.950 | 1.656 | 1.656 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 323 | LYS | 1 | 0.875 | 0.968 | 14.763 | 36.573 | 36.573 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 324 | GLU | -1 | -0.860 | -0.953 | 15.689 | -35.922 | -35.922 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 325 | MET | 0 | -0.008 | 0.025 | 17.075 | 1.711 | 1.711 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 326 | TYR | 0 | -0.041 | -0.019 | 18.848 | 1.105 | 1.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 327 | ASP | -1 | -0.829 | -0.916 | 20.294 | -27.520 | -27.520 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 328 | SER | 0 | -0.089 | -0.054 | 22.702 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 329 | HIS | 0 | 0.005 | 0.012 | 23.838 | 1.314 | 1.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 330 | LYS | 1 | 0.873 | 0.931 | 26.403 | 21.723 | 21.723 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 331 | GLY | 0 | 0.048 | 0.032 | 29.573 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 332 | PRO | 0 | 0.009 | 0.006 | 33.379 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 333 | PHE | 0 | 0.030 | 0.008 | 36.153 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 334 | THR | 0 | -0.021 | -0.017 | 31.643 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 335 | GLY | 0 | 0.007 | 0.026 | 31.902 | -0.459 | -0.459 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 336 | GLU | -1 | -0.853 | -0.947 | 27.843 | -21.232 | -21.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 337 | GLY | 0 | -0.024 | -0.018 | 27.371 | -0.789 | -0.789 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 338 | HIS | 0 | 0.042 | 0.004 | 23.388 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 339 | LYS | 1 | 0.930 | 0.979 | 22.594 | 25.523 | 25.523 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 340 | GLY | 0 | 0.063 | 0.035 | 21.161 | 0.901 | 0.901 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 341 | VAL | 0 | -0.005 | -0.009 | 20.764 | -0.717 | -0.717 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 342 | TYR | 0 | 0.000 | -0.028 | 11.098 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 343 | GLU | -1 | -0.875 | -0.925 | 16.148 | -33.421 | -33.421 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 344 | ILE | 0 | -0.012 | 0.017 | 17.648 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 345 | PHE | 0 | 0.000 | -0.014 | 16.879 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 346 | THR | 0 | -0.004 | 0.002 | 12.106 | -0.844 | -0.844 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 347 | ASN | 0 | -0.058 | -0.033 | 13.735 | -3.333 | -3.333 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 348 | SER | 0 | -0.045 | -0.044 | 16.465 | 0.875 | 0.875 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 349 | TRP | 0 | 0.090 | 0.022 | 13.951 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 350 | HIS | 1 | 0.765 | 0.875 | 19.314 | 25.653 | 25.653 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 351 | ALA | 0 | 0.045 | 0.025 | 20.924 | 0.803 | 0.803 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 352 | GLN | 0 | 0.027 | 0.011 | 15.573 | 1.788 | 1.788 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 353 | LEU | 0 | -0.035 | -0.012 | 19.720 | 0.602 | 0.602 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 354 | SER | 0 | -0.062 | -0.037 | 22.130 | 1.066 | 1.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 355 | LEU | 0 | 0.040 | 0.014 | 21.435 | 0.916 | 0.916 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 356 | ASN | 0 | 0.010 | 0.003 | 18.394 | 0.819 | 0.819 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 357 | LEU | 0 | -0.029 | -0.011 | 22.732 | 0.636 | 0.636 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 358 | ALA | 0 | 0.015 | 0.006 | 26.111 | 0.789 | 0.789 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 359 | LEU | 0 | 0.008 | 0.007 | 24.593 | 0.828 | 0.828 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 360 | PHE | 0 | 0.013 | 0.017 | 23.499 | 0.426 | 0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 361 | GLY | 0 | 0.002 | -0.012 | 26.973 | 0.612 | 0.612 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 362 | SER | 0 | -0.023 | -0.036 | 30.207 | 0.813 | 0.813 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 363 | LEU | 0 | 0.000 | 0.010 | 26.795 | 0.571 | 0.571 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 364 | SER | 0 | -0.024 | -0.027 | 30.466 | 0.383 | 0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 365 | ILE | 0 | 0.004 | -0.001 | 32.456 | 0.527 | 0.527 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 366 | ILE | 0 | -0.004 | 0.007 | 31.951 | 0.493 | 0.493 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 367 | VAL | 0 | 0.016 | 0.007 | 31.268 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 368 | ALA | 0 | -0.004 | 0.011 | 34.412 | 0.369 | 0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 369 | HIS | 0 | -0.045 | -0.047 | 37.840 | 0.730 | 0.730 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 370 | HIS | 0 | 0.040 | 0.019 | 34.151 | 0.627 | 0.627 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 371 | MET | 0 | -0.021 | -0.006 | 36.203 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 372 | TYR | 0 | -0.026 | -0.014 | 38.960 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 373 | SER | 0 | -0.016 | -0.007 | 41.227 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 374 | MET | 0 | -0.026 | 0.011 | 37.801 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 375 | PRO | 0 | 0.028 | 0.018 | 39.820 | -0.384 | -0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 376 | PRO | 0 | 0.007 | -0.003 | 36.713 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 377 | TYR | 0 | -0.015 | -0.003 | 34.254 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 378 | PRO | 0 | 0.027 | 0.000 | 40.688 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 379 | TYR | 0 | 0.044 | 0.007 | 44.159 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 380 | LEU | 0 | -0.056 | -0.017 | 40.524 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 381 | ALA | 0 | 0.003 | 0.005 | 44.616 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 382 | THR | 0 | 0.040 | 0.018 | 46.838 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 383 | ASP | -1 | -0.743 | -0.827 | 46.636 | -12.676 | -12.676 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 384 | TYR | 0 | 0.013 | -0.012 | 47.254 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 385 | ALA | 0 | 0.031 | 0.018 | 48.614 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 386 | THR | 0 | -0.005 | -0.044 | 42.645 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 387 | SER | 0 | -0.033 | -0.022 | 43.429 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 388 | LEU | 0 | 0.000 | 0.009 | 43.673 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 389 | CYS | 0 | -0.036 | -0.002 | 43.207 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 390 | LEU | 0 | 0.016 | 0.006 | 38.104 | -0.349 | -0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 391 | PHE | 0 | 0.007 | 0.017 | 38.919 | -0.462 | -0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 392 | THR | 0 | -0.020 | -0.052 | 39.966 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 393 | HIS | 0 | 0.002 | 0.011 | 34.975 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 394 | HIS | 0 | -0.010 | -0.013 | 33.493 | -0.630 | -0.630 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 395 | VAL | 0 | 0.037 | 0.040 | 35.622 | -0.442 | -0.442 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 396 | TRP | 0 | 0.015 | 0.004 | 37.458 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 397 | ILE | 0 | -0.042 | -0.019 | 32.146 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 398 | GLY | 0 | 0.052 | 0.021 | 32.825 | -0.510 | -0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 399 | GLY | 0 | 0.026 | 0.002 | 33.473 | -0.302 | -0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 400 | PHE | 0 | -0.024 | -0.020 | 33.846 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 401 | LEU | 0 | -0.013 | 0.013 | 28.262 | -0.373 | -0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 402 | ILE | 0 | 0.033 | 0.020 | 30.225 | -0.487 | -0.487 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 403 | VAL | 0 | -0.017 | -0.016 | 32.282 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 404 | GLY | 0 | -0.006 | -0.005 | 30.308 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 405 | ALA | 0 | 0.004 | 0.004 | 28.016 | -0.606 | -0.606 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 406 | GLY | 0 | 0.015 | 0.005 | 29.051 | -0.338 | -0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 407 | ALA | 0 | -0.015 | -0.018 | 30.711 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 408 | HIS | 0 | 0.034 | 0.018 | 25.492 | -0.526 | -0.526 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 409 | ALA | 0 | 0.067 | 0.038 | 26.772 | -0.594 | -0.594 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 410 | ALA | 0 | 0.011 | -0.007 | 28.131 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 411 | ILE | 0 | -0.059 | -0.032 | 26.844 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 412 | PHE | 0 | 0.034 | 0.007 | 23.586 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 413 | MET | 0 | -0.030 | 0.001 | 26.250 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 414 | VAL | 0 | -0.048 | -0.023 | 29.288 | 0.341 | 0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 415 | ARG | 1 | 0.820 | 0.900 | 25.629 | 22.757 | 22.757 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 416 | ASP | -1 | -0.762 | -0.835 | 22.722 | -27.063 | -27.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 417 | TYR | 0 | -0.067 | -0.030 | 23.847 | -0.727 | -0.727 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 418 | ASP | -1 | -0.780 | -0.884 | 24.563 | -23.749 | -23.749 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 419 | PRO | 0 | -0.045 | -0.044 | 26.444 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 420 | ALA | 0 | -0.022 | 0.007 | 26.618 | 0.370 | 0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 421 | GLN | 0 | -0.003 | -0.013 | 21.700 | 0.504 | 0.504 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 422 | ASN | 0 | -0.096 | -0.029 | 24.920 | -0.517 | -0.517 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 423 | TYR | 0 | 0.064 | 0.031 | 27.433 | 0.960 | 0.960 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 424 | ASN | 0 | 0.009 | 0.001 | 29.642 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 425 | ASN | 0 | 0.027 | 0.008 | 25.482 | 1.054 | 1.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 426 | LEU | 0 | -0.003 | -0.018 | 27.603 | 0.749 | 0.749 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 427 | VAL | 0 | -0.019 | 0.013 | 25.914 | 0.423 | 0.423 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 428 | ASP | -1 | -0.724 | -0.835 | 29.203 | -17.824 | -17.824 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 429 | ARG | 1 | 0.831 | 0.899 | 31.854 | 18.409 | 18.409 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 430 | VAL | 0 | 0.000 | 0.022 | 32.134 | 0.649 | 0.649 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 431 | LEU | 0 | -0.014 | -0.020 | 31.120 | 0.586 | 0.586 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 432 | ARG | 1 | 0.796 | 0.871 | 34.544 | 18.013 | 18.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 433 | HIS | 0 | -0.045 | -0.031 | 36.170 | 0.616 | 0.616 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 434 | ARG | 1 | 0.890 | 0.941 | 37.290 | 16.623 | 16.623 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 435 | ASP | -1 | -0.848 | -0.911 | 39.158 | -14.365 | -14.365 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 436 | ALA | 0 | 0.017 | 0.038 | 42.294 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 437 | ILE | 0 | 0.007 | 0.019 | 36.540 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 438 | ILE | 0 | -0.006 | -0.013 | 38.851 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 439 | SER | 0 | -0.035 | -0.035 | 42.341 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 440 | HIS | 0 | -0.002 | -0.009 | 43.928 | 0.436 | 0.436 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 441 | LEU | 0 | 0.007 | 0.015 | 39.770 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 442 | ASN | 0 | -0.008 | -0.010 | 43.795 | 0.338 | 0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 443 | TRP | 0 | 0.047 | 0.022 | 46.659 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 444 | VAL | 0 | 0.017 | 0.009 | 44.401 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 445 | CYS | 0 | -0.057 | -0.014 | 44.998 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 446 | ILE | 0 | 0.012 | 0.007 | 47.674 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 447 | PHE | 0 | -0.014 | 0.005 | 50.147 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 448 | LEU | 0 | 0.033 | 0.012 | 46.348 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 449 | GLY | 0 | 0.026 | 0.035 | 50.585 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 450 | PHE | 0 | -0.022 | -0.029 | 52.251 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 451 | HIS | 0 | -0.062 | -0.039 | 53.684 | 0.338 | 0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 452 | SER | 0 | -0.007 | -0.019 | 51.839 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 453 | PHE | 0 | 0.017 | 0.002 | 53.687 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 454 | GLY | 0 | 0.020 | 0.010 | 55.430 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 455 | LEU | 0 | -0.012 | -0.003 | 56.563 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 456 | TYR | 0 | -0.044 | -0.029 | 54.564 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 457 | ILE | 0 | 0.018 | 0.012 | 59.236 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 458 | HIS | 0 | -0.033 | -0.004 | 61.638 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 459 | ASN | 0 | 0.009 | -0.003 | 61.268 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 460 | ASP | -1 | -0.834 | -0.930 | 61.811 | -9.996 | -9.996 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 461 | THR | 0 | -0.044 | -0.033 | 64.802 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 462 | MET | 0 | -0.039 | -0.014 | 67.070 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 463 | ARG | 1 | 0.882 | 0.941 | 64.059 | 9.698 | 9.698 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 464 | ALA | 0 | -0.035 | -0.013 | 68.941 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 465 | LEU | 0 | -0.050 | -0.026 | 70.734 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 466 | GLY | 0 | 0.005 | 0.012 | 72.782 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 467 | ARG | 1 | 0.822 | 0.895 | 71.949 | 8.784 | 8.784 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 468 | PRO | 0 | 0.007 | -0.009 | 69.662 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 469 | GLN | 0 | 0.036 | 0.001 | 69.306 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 470 | ASP | -1 | -0.783 | -0.867 | 69.381 | -8.802 | -8.802 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 471 | MET | 0 | -0.074 | -0.014 | 65.144 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 472 | PHE | 0 | 0.010 | -0.010 | 60.627 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 473 | SER | 0 | 0.048 | -0.010 | 61.785 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 474 | ASP | -1 | -0.839 | -0.885 | 61.834 | -9.905 | -9.905 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 475 | ALA | 0 | -0.044 | -0.033 | 63.268 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 476 | ALA | 0 | 0.006 | 0.002 | 65.930 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 477 | ILE | 0 | -0.019 | 0.004 | 63.379 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 478 | GLN | 0 | -0.008 | 0.006 | 61.555 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 479 | LEU | 0 | -0.013 | -0.006 | 57.067 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 480 | GLN | 0 | 0.063 | 0.012 | 56.867 | -0.337 | -0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 481 | PRO | 0 | -0.013 | 0.016 | 51.651 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 482 | VAL | 0 | 0.044 | 0.013 | 52.268 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 483 | PHE | 0 | -0.011 | -0.012 | 48.539 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 484 | ALA | 0 | -0.013 | 0.000 | 47.988 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 485 | GLN | 0 | 0.001 | -0.019 | 49.023 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 486 | TRP | 0 | 0.013 | 0.009 | 46.308 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 487 | VAL | 0 | 0.009 | 0.004 | 44.475 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 488 | GLN | 0 | -0.024 | -0.020 | 46.790 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 489 | GLY | 0 | 0.037 | 0.041 | 48.854 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 490 | VAL | 0 | -0.019 | -0.018 | 45.705 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 491 | ASN | 0 | -0.070 | -0.041 | 43.089 | -0.377 | -0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 492 | SER | 0 | -0.064 | -0.034 | 45.917 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 493 | ALA | 0 | 0.008 | 0.020 | 48.954 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 494 | ALA | 0 | 0.043 | 0.024 | 44.418 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 495 | ALA | 0 | 0.001 | 0.005 | 45.764 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 496 | GLY | 0 | 0.022 | 0.020 | 46.547 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 497 | ASN | 0 | -0.095 | -0.051 | 48.338 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 498 | THR | 0 | -0.024 | -0.029 | 43.145 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 499 | ALA | 0 | -0.022 | -0.002 | 41.972 | -0.419 | -0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 500 | PRO | 0 | -0.010 | -0.005 | 43.138 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 501 | ASN | 0 | -0.004 | -0.009 | 41.307 | 0.340 | 0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 502 | ALA | 0 | -0.020 | 0.009 | 42.672 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 503 | LEU | 0 | -0.016 | -0.006 | 44.246 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 504 | ALA | 0 | -0.036 | -0.007 | 46.024 | 0.340 | 0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 505 | ASN | 0 | -0.025 | -0.021 | 45.163 | -0.385 | -0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 506 | ALA | 0 | 0.006 | 0.002 | 40.473 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 507 | SER | 0 | 0.008 | -0.033 | 42.051 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 508 | TYR | 0 | 0.023 | 0.004 | 44.413 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 509 | ALA | 0 | -0.007 | 0.002 | 45.789 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 510 | PHE | 0 | -0.035 | -0.019 | 42.331 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 511 | GLY | 0 | 0.038 | 0.003 | 48.464 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 512 | GLY | 0 | -0.009 | -0.007 | 50.060 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 513 | ASP | -1 | -0.850 | -0.922 | 52.093 | -10.778 | -10.778 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 514 | ILE | 0 | -0.047 | -0.028 | 52.897 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 515 | VAL | 0 | -0.009 | 0.011 | 49.506 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 516 | SER | 0 | 0.007 | -0.002 | 52.746 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 517 | VAL | 0 | 0.004 | -0.002 | 50.392 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 518 | GLY | 0 | 0.008 | 0.004 | 53.682 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 519 | GLY | 0 | 0.017 | 0.009 | 56.432 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 520 | LYS | 1 | 0.806 | 0.899 | 52.683 | 11.556 | 11.556 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 521 | VAL | 0 | 0.013 | 0.020 | 52.464 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 522 | ALA | 0 | -0.026 | 0.009 | 49.006 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 523 | MET | 0 | -0.035 | -0.026 | 46.631 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 524 | MET | 0 | 0.022 | 0.024 | 50.019 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 525 | PRO | 0 | 0.003 | 0.013 | 50.850 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 526 | ILE | 0 | -0.018 | -0.002 | 47.447 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 527 | SER | 0 | 0.038 | 0.030 | 51.531 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 528 | LEU | 0 | 0.004 | 0.005 | 49.104 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 529 | GLY | 0 | 0.048 | 0.022 | 53.656 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 530 | THR | 0 | -0.038 | -0.034 | 55.517 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 531 | ALA | 0 | 0.045 | 0.025 | 56.540 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 532 | ASP | -1 | -0.792 | -0.903 | 51.583 | -11.809 | -11.809 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 533 | PHE | 0 | 0.024 | 0.008 | 51.532 | -0.303 | -0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 534 | LEU | 0 | 0.014 | 0.015 | 52.195 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 535 | VAL | 0 | 0.020 | 0.009 | 49.628 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 536 | HIS | 0 | 0.031 | 0.017 | 46.018 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 537 | HIS | 0 | -0.042 | -0.017 | 47.353 | -0.419 | -0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 538 | ILE | 0 | 0.027 | 0.024 | 48.909 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 539 | HIS | 0 | -0.021 | -0.008 | 44.447 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 540 | ALA | 0 | 0.038 | 0.027 | 44.190 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 541 | PHE | 0 | 0.011 | 0.015 | 44.559 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 542 | THR | 0 | 0.002 | -0.004 | 45.200 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 543 | ILE | 0 | 0.026 | 0.029 | 39.219 | -0.298 | -0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 544 | HIS | 0 | -0.030 | -0.027 | 40.799 | -0.465 | -0.465 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 545 | VAL | 0 | 0.020 | 0.003 | 42.044 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 546 | THR | 0 | -0.016 | -0.022 | 38.356 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 547 | VAL | 0 | -0.016 | -0.008 | 36.522 | -0.383 | -0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 548 | LEU | 0 | -0.017 | -0.010 | 38.298 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 549 | ILE | 0 | -0.028 | -0.010 | 40.108 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 550 | LEU | 0 | 0.022 | 0.008 | 34.756 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 551 | LEU | 0 | 0.015 | 0.012 | 34.253 | -0.422 | -0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 552 | LYS | 1 | 0.901 | 0.948 | 36.350 | 14.362 | 14.362 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 553 | GLY | 0 | 0.015 | -0.010 | 36.882 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 554 | VAL | 0 | -0.030 | -0.017 | 31.134 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 555 | LEU | 0 | 0.015 | 0.010 | 33.642 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 556 | PHE | 0 | -0.028 | -0.012 | 35.482 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 557 | ALA | 0 | 0.002 | 0.020 | 33.251 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 558 | ARG | 1 | 0.893 | 0.934 | 30.394 | 20.045 | 20.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 559 | ASN | 0 | -0.006 | 0.016 | 35.156 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 560 | SER | 0 | -0.011 | -0.012 | 38.886 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 561 | ARG | 1 | 0.910 | 0.935 | 41.994 | 13.662 | 13.662 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 562 | LEU | 0 | -0.011 | 0.011 | 45.432 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 563 | ILE | 0 | 0.026 | 0.001 | 42.045 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 564 | PRO | 0 | 0.027 | 0.007 | 41.748 | -0.392 | -0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 565 | ASP | -1 | -0.866 | -0.943 | 38.911 | -15.649 | -15.649 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 566 | LYS | 1 | 0.835 | 0.914 | 38.180 | 15.644 | 15.644 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 567 | ALA | 0 | 0.003 | -0.004 | 33.388 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 568 | ASN | 0 | -0.016 | -0.008 | 34.510 | -0.875 | -0.875 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 569 | LEU | 0 | -0.021 | 0.014 | 36.698 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 570 | GLY | 0 | 0.020 | 0.016 | 34.555 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 571 | PHE | 0 | 0.027 | -0.006 | 32.093 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 572 | ARG | 1 | 0.872 | 0.928 | 33.561 | 18.463 | 18.463 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 573 | PHE | 0 | 0.016 | 0.015 | 36.582 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 574 | PRO | 0 | 0.003 | 0.005 | 40.015 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 575 | CYS | 0 | 0.017 | -0.014 | 43.381 | 0.330 | 0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 576 | ASP | -1 | -0.794 | -0.865 | 44.420 | -14.182 | -14.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 577 | GLY | 0 | 0.033 | 0.022 | 46.014 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 578 | PRO | 0 | 0.014 | -0.012 | 49.558 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 579 | GLY | 0 | 0.047 | 0.032 | 51.979 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 580 | ARG | 1 | 0.822 | 0.873 | 46.560 | 13.293 | 13.293 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 581 | GLY | 0 | 0.038 | 0.028 | 52.694 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 582 | GLY | 0 | 0.018 | 0.025 | 52.207 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 583 | THR | 0 | -0.062 | -0.025 | 46.625 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 584 | CYS | 0 | -0.015 | -0.029 | 46.548 | -0.318 | -0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 585 | GLN | 0 | -0.023 | -0.005 | 43.880 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 586 | VAL | 0 | 0.021 | 0.017 | 42.494 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 587 | SER | 0 | -0.031 | -0.014 | 38.240 | -0.453 | -0.453 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 588 | ALA | 0 | 0.060 | 0.025 | 34.408 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 589 | TRP | 0 | 0.004 | -0.001 | 34.729 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 590 | ASP | -1 | -0.759 | -0.859 | 36.666 | -14.802 | -14.802 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 591 | HIS | 0 | -0.006 | 0.005 | 37.968 | 0.572 | 0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 592 | VAL | 0 | -0.002 | 0.011 | 34.014 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 593 | PHE | 0 | -0.043 | -0.019 | 37.105 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 594 | LEU | 0 | 0.017 | -0.005 | 40.192 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 595 | GLY | 0 | 0.026 | 0.010 | 39.015 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 596 | LEU | 0 | -0.020 | -0.004 | 36.708 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 597 | PHE | 0 | 0.027 | 0.012 | 40.043 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 598 | TRP | 0 | 0.014 | 0.006 | 42.771 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 599 | MET | 0 | 0.002 | 0.027 | 37.466 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 600 | TYR | 0 | 0.037 | 0.010 | 40.822 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 601 | ASN | 0 | -0.035 | -0.010 | 43.384 | 0.358 | 0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 602 | SER | 0 | -0.030 | -0.015 | 42.215 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 603 | LEU | 0 | 0.008 | -0.006 | 38.433 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 604 | SER | 0 | -0.010 | -0.018 | 43.058 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 605 | VAL | 0 | 0.035 | 0.019 | 46.354 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 606 | VAL | 0 | -0.003 | 0.002 | 42.295 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 607 | LEU | 0 | -0.022 | -0.009 | 42.350 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 608 | PHE | 0 | -0.010 | -0.005 | 46.187 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 609 | HIS | 1 | 0.833 | 0.923 | 47.530 | 12.671 | 12.671 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 610 | PHE | 0 | 0.006 | 0.005 | 45.293 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 611 | SER | 0 | 0.025 | 0.015 | 47.992 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 612 | TRP | 0 | -0.017 | -0.020 | 50.142 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 613 | LYS | 1 | 0.777 | 0.911 | 50.580 | 11.646 | 11.646 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 614 | MET | 0 | 0.027 | 0.019 | 47.821 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 615 | GLN | 0 | 0.017 | 0.003 | 51.536 | 0.341 | 0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 616 | SER | 0 | -0.053 | -0.025 | 54.608 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 617 | ASP | -1 | -0.771 | -0.907 | 54.511 | -10.732 | -10.732 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 618 | VAL | 0 | -0.050 | -0.017 | 50.197 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 619 | TRP | 0 | 0.048 | 0.001 | 47.149 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 620 | GLY | 0 | 0.022 | 0.002 | 53.729 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 621 | ASN | 0 | -0.005 | 0.012 | 56.602 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 622 | VAL | 0 | -0.004 | -0.004 | 57.760 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 623 | THR | 0 | -0.027 | -0.004 | 60.744 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 624 | ALA | 0 | 0.008 | -0.013 | 63.500 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 625 | ASP | -1 | -0.938 | -0.962 | 65.257 | -9.159 | -9.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 626 | GLY | 0 | 0.036 | 0.025 | 61.937 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 627 | ALA | 0 | -0.028 | -0.010 | 61.694 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 628 | VAL | 0 | 0.010 | -0.005 | 58.043 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | A | 629 | SER | 0 | -0.037 | -0.013 | 61.312 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | A | 630 | HIS | 1 | 0.810 | 0.894 | 56.255 | 10.651 | 10.651 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | A | 631 | ILE | 0 | -0.002 | 0.011 | 54.440 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | A | 632 | THR | 0 | -0.061 | -0.056 | 57.962 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | A | 633 | GLY | 0 | -0.019 | 0.001 | 60.157 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 621 | A | 634 | ASN | 0 | -0.041 | -0.032 | 59.037 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 622 | A | 635 | ASN | 0 | 0.076 | 0.059 | 59.955 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 623 | A | 636 | PHE | 0 | 0.025 | 0.009 | 53.148 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 624 | A | 637 | ALA | 0 | 0.018 | 0.011 | 58.559 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 625 | A | 638 | GLN | 0 | 0.117 | 0.049 | 59.973 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 626 | A | 639 | GLY | 0 | 0.022 | 0.015 | 61.549 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 627 | A | 640 | ALA | 0 | -0.002 | -0.005 | 56.150 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 628 | A | 641 | ILE | 0 | 0.000 | 0.022 | 57.169 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 629 | A | 642 | THR | 0 | -0.008 | -0.001 | 59.513 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 630 | A | 643 | ILE | 0 | 0.004 | 0.005 | 56.605 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 631 | A | 644 | ASN | 0 | -0.002 | -0.008 | 59.649 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 632 | A | 645 | GLY | 0 | 0.016 | 0.015 | 61.657 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 633 | A | 646 | TRP | 0 | -0.014 | -0.013 | 52.641 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 634 | A | 647 | LEU | 0 | -0.020 | -0.006 | 58.185 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 635 | A | 648 | ARG | 1 | 0.856 | 0.924 | 60.258 | 9.640 | 9.640 | 0.000 | 0.000 | 0.000 | 0.000 |
| 636 | A | 649 | ASP | -1 | -0.832 | -0.918 | 61.288 | -9.777 | -9.777 | 0.000 | 0.000 | 0.000 | 0.000 |
| 637 | A | 650 | PHE | 0 | -0.034 | -0.017 | 51.824 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 638 | A | 651 | LEU | 0 | -0.018 | -0.013 | 54.129 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 639 | A | 652 | TRP | 0 | -0.026 | -0.007 | 57.664 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 640 | A | 653 | ALA | 0 | 0.010 | 0.002 | 61.162 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 641 | A | 654 | GLN | 0 | -0.021 | -0.003 | 55.372 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 642 | A | 655 | ALA | 0 | 0.017 | 0.011 | 57.642 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 643 | A | 656 | SER | 0 | 0.015 | 0.004 | 58.595 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 644 | A | 657 | GLN | 0 | 0.040 | 0.028 | 57.624 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 645 | A | 658 | VAL | 0 | -0.023 | -0.007 | 54.587 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 646 | A | 659 | ILE | 0 | -0.026 | -0.002 | 57.477 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 647 | A | 660 | GLN | 0 | -0.015 | -0.005 | 60.819 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 648 | A | 661 | SER | 0 | -0.002 | 0.000 | 57.882 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 649 | A | 662 | TYR | 0 | -0.012 | -0.002 | 58.821 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 650 | A | 663 | GLY | 0 | 0.007 | 0.017 | 61.740 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 651 | A | 664 | SER | 0 | -0.003 | -0.005 | 60.034 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 652 | A | 665 | ALA | 0 | 0.084 | 0.053 | 56.288 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 653 | A | 666 | LEU | 0 | -0.016 | -0.004 | 55.060 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 654 | A | 667 | SER | 0 | 0.009 | -0.020 | 55.706 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 655 | A | 668 | ALA | 0 | 0.012 | 0.005 | 52.149 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 656 | A | 669 | TYR | 0 | -0.009 | -0.005 | 48.992 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 657 | A | 670 | GLY | 0 | 0.098 | 0.041 | 53.238 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 658 | A | 671 | LEU | 0 | -0.055 | -0.023 | 54.927 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 659 | A | 672 | MET | 0 | -0.016 | -0.009 | 47.378 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 660 | A | 673 | PHE | 0 | 0.027 | 0.014 | 51.946 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 661 | A | 674 | LEU | 0 | 0.016 | 0.019 | 53.709 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 662 | A | 675 | GLY | 0 | 0.024 | 0.014 | 52.987 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 663 | A | 676 | ALA | 0 | -0.035 | -0.011 | 49.705 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 664 | A | 677 | HIS | 0 | 0.008 | -0.010 | 51.052 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 665 | A | 678 | PHE | 0 | -0.031 | -0.004 | 53.198 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 666 | A | 679 | ILE | 0 | -0.006 | -0.013 | 47.558 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 667 | A | 680 | TRP | 0 | 0.007 | 0.009 | 49.030 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 668 | A | 681 | ALA | 0 | 0.016 | 0.022 | 50.929 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 669 | A | 682 | PHE | 0 | -0.017 | -0.009 | 50.241 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 670 | A | 683 | SER | 0 | -0.063 | -0.057 | 48.090 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 671 | A | 684 | LEU | 0 | 0.024 | 0.007 | 49.934 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 672 | A | 685 | MET | 0 | -0.020 | 0.015 | 52.410 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 673 | A | 686 | PHE | 0 | -0.066 | -0.026 | 48.254 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 674 | A | 687 | LEU | 0 | -0.054 | -0.008 | 46.254 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 675 | A | 688 | PHE | 0 | 0.007 | -0.002 | 49.937 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 676 | A | 689 | SER | 0 | -0.033 | 0.000 | 53.007 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 677 | A | 690 | GLY | 0 | 0.059 | 0.021 | 51.831 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
| 678 | A | 691 | ARG | 1 | 0.802 | 0.896 | 48.306 | 12.902 | 12.902 | 0.000 | 0.000 | 0.000 | 0.000 |
| 679 | A | 692 | GLY | 0 | -0.007 | -0.008 | 51.736 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 680 | A | 693 | TYR | 0 | 0.119 | 0.063 | 54.847 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 681 | A | 694 | TRP | 0 | 0.030 | -0.005 | 53.086 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 682 | A | 695 | GLN | 0 | -0.064 | -0.036 | 52.616 | -0.343 | -0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
| 683 | A | 696 | GLU | -1 | -0.859 | -0.921 | 55.030 | -10.721 | -10.721 | 0.000 | 0.000 | 0.000 | 0.000 |
| 684 | A | 697 | LEU | 0 | 0.002 | 0.009 | 58.028 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 685 | A | 698 | ILE | 0 | -0.019 | -0.025 | 52.877 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 686 | A | 699 | GLU | -1 | -0.890 | -0.947 | 57.101 | -11.062 | -11.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 687 | A | 700 | SER | 0 | -0.014 | -0.002 | 59.189 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 688 | A | 701 | ILE | 0 | -0.005 | 0.000 | 58.137 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 689 | A | 702 | VAL | 0 | 0.001 | -0.006 | 56.207 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 690 | A | 703 | TRP | 0 | 0.032 | 0.027 | 59.419 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 691 | A | 704 | ALA | 0 | 0.003 | -0.003 | 63.054 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 692 | A | 705 | HIS | 0 | -0.038 | -0.017 | 59.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 693 | A | 706 | ASN | 0 | -0.048 | -0.039 | 59.421 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 694 | A | 707 | LYS | 1 | 0.901 | 0.972 | 62.857 | 9.239 | 9.239 | 0.000 | 0.000 | 0.000 | 0.000 |
| 695 | A | 708 | LEU | 0 | -0.013 | -0.014 | 64.761 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 696 | A | 709 | LYS | 1 | 0.918 | 0.955 | 63.375 | 9.540 | 9.540 | 0.000 | 0.000 | 0.000 | 0.000 |
| 697 | A | 710 | PHE | 0 | 0.038 | 0.024 | 59.346 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 698 | A | 711 | ALA | 0 | 0.009 | 0.014 | 57.782 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 699 | A | 712 | PRO | 0 | -0.001 | 0.006 | 52.494 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 700 | A | 713 | SER | 0 | 0.019 | -0.013 | 51.758 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 701 | A | 714 | ILE | 0 | -0.049 | -0.004 | 46.535 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 702 | A | 715 | GLN | 0 | 0.083 | 0.051 | 49.778 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 703 | A | 716 | PRO | 0 | 0.037 | 0.035 | 50.216 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 704 | A | 717 | ARG | 1 | 0.836 | 0.904 | 48.730 | 12.544 | 12.544 | 0.000 | 0.000 | 0.000 | 0.000 |
| 705 | A | 718 | ALA | 0 | 0.057 | 0.049 | 50.037 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 706 | A | 719 | LEU | 0 | 0.043 | 0.014 | 45.712 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 707 | A | 720 | SER | 0 | 0.028 | 0.008 | 42.893 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
| 708 | A | 721 | ILE | 0 | 0.036 | 0.014 | 45.264 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 709 | A | 722 | THR | 0 | 0.035 | 0.003 | 39.421 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 710 | A | 723 | GLN | 0 | 0.006 | 0.007 | 41.841 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 711 | A | 724 | GLY | 0 | 0.017 | 0.020 | 42.797 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 712 | A | 725 | ARG | 1 | 0.847 | 0.917 | 43.186 | 14.038 | 14.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 713 | A | 726 | ALA | 0 | -0.001 | 0.001 | 39.750 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 714 | A | 727 | VAL | 0 | 0.003 | -0.010 | 41.549 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 715 | A | 728 | GLY | 0 | 0.054 | 0.041 | 43.889 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 716 | A | 729 | VAL | 0 | 0.014 | -0.007 | 40.779 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 717 | A | 730 | ALA | 0 | -0.025 | -0.003 | 40.929 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 718 | A | 731 | HIS | 0 | -0.031 | -0.029 | 42.258 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 719 | A | 732 | TYR | 0 | 0.040 | 0.026 | 45.624 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 720 | A | 733 | LEU | 0 | -0.020 | -0.016 | 40.000 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 721 | A | 734 | LEU | 0 | -0.005 | 0.011 | 42.998 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 722 | A | 735 | GLY | 0 | 0.051 | 0.017 | 44.453 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 723 | A | 736 | GLY | 0 | 0.052 | 0.033 | 47.270 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 724 | A | 737 | ILE | 0 | -0.018 | -0.006 | 41.127 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 725 | A | 738 | ALA | 0 | 0.024 | 0.019 | 45.262 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 726 | A | 739 | THR | 0 | -0.008 | -0.004 | 46.925 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 727 | A | 740 | THR | 0 | -0.034 | -0.027 | 46.854 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 728 | A | 741 | TRP | 0 | 0.014 | 0.003 | 43.568 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 729 | A | 742 | SER | 0 | -0.025 | -0.019 | 47.166 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 730 | A | 743 | PHE | 0 | -0.009 | -0.009 | 50.560 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 731 | A | 744 | PHE | 0 | 0.013 | -0.002 | 46.255 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 732 | A | 745 | HIS | 1 | 0.854 | 0.915 | 45.164 | 13.221 | 13.221 | 0.000 | 0.000 | 0.000 | 0.000 |
| 733 | A | 746 | ALA | 0 | 0.043 | 0.021 | 50.339 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 734 | A | 747 | ARG | 1 | 0.845 | 0.924 | 53.411 | 10.988 | 10.988 | 0.000 | 0.000 | 0.000 | 0.000 |
| 735 | A | 748 | ILE | 0 | -0.009 | -0.014 | 48.326 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 736 | A | 749 | ILE | 0 | -0.043 | -0.018 | 49.923 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 737 | A | 750 | SER | 0 | -0.047 | -0.025 | 53.418 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 738 | A | 751 | VAL | 0 | -0.070 | -0.031 | 55.605 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 739 | A | 752 | GLY | -1 | -0.860 | -0.901 | 53.101 | -11.413 | -11.413 | 0.000 | 0.000 | 0.000 | 0.000 |