FMODB: The database of quantum mechanical data based on the FMO method
Last updated: 2025-12-18
All entries: 87239
Number of unique PDB entries: 32030
FMODB ID: N69YQ
Calculation Name: 7S3D-b-Other547
Preferred Name:
Target Type:
Ligand Name: chlorophyll f | chlorophyll a | chlorophyll a isomer | beta-carotene | 1,2-distearoyl-monogalactosyl-diglyceride | 1,2-dipalmitoyl-phosphatidyl-glycerole | dodecyl-beta-d-maltoside | phylloquinone | iron/sulfur cluster | fe2/s2 (inorganic) cluster | calcium ion
Ligand 3-letter code: F6C | CLA | CL0 | BCR | LMG | LHG | LMT | PQN | SF4 | FES | CA
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 7S3D
Chain ID: b
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 | 742 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -17633357.296298 |
|---|---|
| FMO2-HF: Nuclear repulsion | 17345326.441262 |
| FMO2-HF: Total energy | -288030.855036 |
| FMO2-MP2: Total energy | -288881.779151 |
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:2:ALA)
Summations of interaction energy for
fragment #1(A:2:ALA)
| 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. |
| -53.228 | -46.809 | 10.477 | -8.371 | -8.525 | -0.09 |
Interaction energy analysis for fragmet #1(A:2:ALA)
| 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 | 4 | LYS | 1 | 0.961 | 0.964 | 3.829 | 30.211 | 31.425 | -0.014 | -0.480 | -0.720 | 0.002 |
| 12 | A | 13 | GLN | 0 | -0.099 | -0.044 | 2.419 | -6.560 | -5.747 | 0.605 | -0.622 | -0.796 | -0.003 |
| 13 | A | 14 | GLN | 0 | 0.028 | -0.009 | 2.175 | -67.831 | -63.486 | 9.885 | -7.316 | -6.913 | -0.089 |
| 14 | A | 15 | ASP | -1 | -0.774 | -0.838 | 3.598 | -29.762 | -29.715 | 0.001 | 0.047 | -0.096 | 0.000 |
| 4 | A | 5 | PHE | 0 | -0.010 | 0.013 | 6.166 | 4.850 | 4.850 | 0.000 | 0.000 | 0.000 | 0.000 |
| 5 | A | 6 | PRO | 0 | 0.115 | 0.069 | 6.481 | -4.967 | -4.967 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 7 | LYS | 1 | 0.950 | 0.949 | 7.908 | 19.742 | 19.742 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 8 | PHE | 0 | -0.029 | -0.011 | 9.605 | 0.968 | 0.968 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 9 | SER | 0 | 0.082 | 0.047 | 9.117 | 1.286 | 1.286 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 10 | GLN | 0 | -0.006 | -0.008 | 5.983 | -6.483 | -6.483 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 11 | GLU | -1 | -0.920 | -0.953 | 5.279 | -33.911 | -33.911 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 12 | LEU | 0 | -0.016 | -0.016 | 6.960 | -3.225 | -3.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 16 | PRO | 0 | -0.004 | 0.006 | 5.264 | -3.458 | -3.458 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 17 | THR | 0 | -0.026 | -0.026 | 6.285 | 4.826 | 4.826 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 18 | THR | 0 | 0.037 | 0.004 | 9.113 | -1.682 | -1.682 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 19 | ARG | 1 | 0.856 | 0.928 | 10.234 | 26.928 | 26.928 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 20 | ARG | 1 | 0.882 | 0.934 | 6.079 | 40.496 | 40.496 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 21 | ILE | 0 | -0.009 | 0.022 | 9.908 | 0.646 | 0.646 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 22 | PHE | 0 | 0.060 | 0.016 | 12.168 | 1.170 | 1.170 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 23 | TYR | 0 | 0.016 | -0.009 | 12.496 | 0.986 | 0.986 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 24 | SER | 0 | -0.059 | -0.029 | 10.763 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 25 | LEU | 0 | -0.017 | -0.015 | 13.001 | 0.974 | 0.974 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 26 | ALA | 0 | -0.010 | -0.005 | 16.602 | 0.848 | 0.848 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 27 | THR | 0 | -0.007 | -0.018 | 14.586 | 0.349 | 0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 28 | ALA | 0 | -0.002 | 0.006 | 15.853 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 29 | HIS | 0 | 0.025 | -0.009 | 16.856 | -0.473 | -0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 30 | ASP | -1 | -0.825 | -0.854 | 18.404 | -14.384 | -14.384 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 31 | PHE | 0 | -0.007 | -0.027 | 18.295 | -0.845 | -0.845 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 32 | GLU | -1 | -0.761 | -0.884 | 18.853 | -13.755 | -13.755 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 33 | SER | 0 | 0.027 | 0.033 | 16.877 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 34 | HIS | 1 | 0.732 | 0.856 | 14.305 | 17.570 | 17.570 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 35 | ASP | -1 | -0.769 | -0.893 | 9.890 | -26.647 | -26.647 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 36 | GLY | 0 | -0.029 | -0.014 | 13.592 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 37 | MET | 0 | -0.077 | -0.009 | 16.570 | 1.045 | 1.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 38 | THR | 0 | 0.067 | 0.029 | 19.183 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 39 | GLU | -1 | -0.759 | -0.895 | 22.844 | -10.463 | -10.463 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 40 | GLU | -1 | -0.879 | -0.954 | 25.910 | -10.373 | -10.373 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 41 | SER | 0 | -0.025 | -0.015 | 22.027 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 42 | LEU | 0 | 0.011 | 0.007 | 22.588 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 43 | TYR | 0 | 0.017 | 0.000 | 24.062 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 44 | GLN | 0 | -0.009 | 0.002 | 26.045 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 45 | ARG | 1 | 0.897 | 0.967 | 18.059 | 15.684 | 15.684 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 46 | ILE | 0 | 0.012 | 0.020 | 24.478 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 47 | PHE | 0 | 0.013 | 0.005 | 26.618 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 48 | ALA | 0 | 0.013 | -0.005 | 26.048 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 49 | SER | 0 | -0.023 | -0.030 | 24.721 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 50 | HIS | 0 | -0.032 | -0.013 | 26.915 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 51 | PHE | 0 | -0.003 | 0.003 | 30.625 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 52 | GLY | 0 | 0.019 | 0.013 | 28.463 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 53 | HIS | 0 | 0.012 | 0.002 | 29.549 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 54 | LEU | 0 | 0.002 | -0.006 | 30.988 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 55 | ALA | 0 | 0.004 | 0.007 | 32.022 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 56 | ILE | 0 | 0.003 | 0.005 | 28.261 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 57 | ILE | 0 | 0.023 | 0.017 | 32.923 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 58 | PHE | 0 | 0.009 | 0.003 | 36.173 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 59 | LEU | 0 | 0.027 | 0.007 | 32.922 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 60 | TRP | 0 | -0.026 | -0.001 | 35.773 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 61 | THR | 0 | -0.019 | -0.030 | 37.476 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 62 | SER | 0 | -0.063 | -0.039 | 39.680 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 63 | GLY | 0 | 0.035 | 0.014 | 39.728 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 64 | ILE | 0 | -0.005 | -0.003 | 40.652 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 65 | LEU | 0 | -0.015 | -0.001 | 43.161 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 66 | PHE | 0 | -0.007 | -0.004 | 42.439 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 67 | HIS | 0 | -0.053 | -0.041 | 41.651 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 68 | VAL | 0 | 0.006 | 0.009 | 45.394 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 69 | ALA | 0 | -0.021 | -0.007 | 48.308 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 70 | TRP | 0 | -0.076 | -0.034 | 43.039 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 71 | GLN | 0 | 0.013 | 0.003 | 44.716 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 72 | GLY | 0 | 0.016 | 0.034 | 49.575 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 73 | ASN | 0 | 0.020 | -0.007 | 51.154 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 74 | PHE | 0 | 0.011 | 0.013 | 53.117 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 75 | GLU | -1 | -0.780 | -0.893 | 55.125 | -5.486 | -5.486 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 76 | ALA | 0 | -0.093 | -0.039 | 57.991 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 77 | TRP | 0 | 0.026 | 0.008 | 56.843 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 78 | ILE | 0 | 0.002 | -0.006 | 57.822 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 79 | LYS | 1 | 0.823 | 0.906 | 60.367 | 5.272 | 5.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 80 | ASP | -1 | -0.796 | -0.890 | 62.370 | -4.927 | -4.927 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 81 | PRO | 0 | -0.020 | -0.011 | 59.780 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 82 | LEU | 0 | -0.078 | -0.030 | 60.226 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 83 | ASN | 0 | -0.069 | -0.041 | 62.189 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 84 | ILE | 0 | -0.035 | -0.003 | 57.841 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 85 | SER | 0 | 0.037 | 0.023 | 54.877 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 86 | PRO | 0 | -0.013 | 0.010 | 52.220 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 87 | ILE | 0 | 0.025 | 0.018 | 49.870 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 88 | ALA | 0 | -0.040 | -0.013 | 45.355 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 89 | HIS | 0 | -0.024 | -0.023 | 42.425 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 90 | ALA | 0 | 0.048 | 0.030 | 46.301 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 91 | ILE | 0 | -0.068 | -0.019 | 44.038 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 92 | TRP | 0 | -0.014 | -0.015 | 42.059 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 93 | ASP | -1 | -0.796 | -0.890 | 41.552 | -8.065 | -8.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 94 | PRO | 0 | -0.054 | -0.040 | 41.114 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 95 | GLN | 0 | -0.083 | -0.048 | 38.878 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 96 | PHE | 0 | -0.037 | -0.004 | 43.637 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 97 | GLY | 0 | 0.049 | 0.028 | 46.809 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 98 | PRO | 0 | 0.026 | -0.010 | 49.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 99 | ALA | 0 | 0.072 | 0.040 | 53.241 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 100 | ALA | 0 | -0.011 | 0.004 | 48.819 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 101 | MET | 0 | -0.035 | -0.030 | 48.381 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 102 | ASP | -1 | -0.892 | -0.937 | 51.639 | -5.764 | -5.764 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 103 | ALA | 0 | -0.051 | -0.014 | 52.421 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 104 | PHE | 0 | -0.021 | -0.018 | 47.704 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 105 | THR | 0 | -0.027 | -0.014 | 51.854 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 106 | PRO | 0 | -0.030 | -0.010 | 53.820 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 107 | ALA | 0 | 0.030 | 0.008 | 57.041 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 108 | GLY | 0 | -0.025 | -0.001 | 59.392 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 109 | ALA | 0 | -0.023 | -0.012 | 54.601 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 110 | GLY | 0 | 0.012 | 0.008 | 55.799 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 111 | ASN | 0 | -0.070 | -0.046 | 50.445 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 112 | PRO | 0 | 0.066 | 0.039 | 48.936 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 113 | VAL | 0 | -0.007 | -0.002 | 48.636 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 114 | ASN | 0 | 0.002 | -0.007 | 43.796 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 115 | PHE | 0 | 0.024 | 0.008 | 47.863 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 116 | CYS | 0 | -0.111 | -0.040 | 47.776 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 117 | TYR | 0 | 0.087 | 0.033 | 47.532 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 118 | SER | 0 | 0.011 | -0.021 | 45.314 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 119 | GLY | 0 | 0.054 | 0.016 | 47.138 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 120 | VAL | 0 | -0.038 | -0.020 | 45.915 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 121 | TYR | 0 | 0.005 | 0.002 | 49.300 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 122 | HIS | 0 | 0.130 | 0.058 | 52.633 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 123 | TRP | 0 | -0.018 | 0.013 | 45.956 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 124 | TRP | 0 | 0.004 | -0.024 | 46.425 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 125 | TYR | 0 | 0.058 | 0.032 | 52.932 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 126 | THR | 0 | -0.012 | -0.006 | 55.594 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 127 | ILE | 0 | -0.070 | -0.041 | 51.253 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 128 | GLY | 0 | 0.045 | 0.022 | 55.608 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 129 | LEU | 0 | -0.038 | 0.001 | 51.315 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 130 | ARG | 1 | 0.796 | 0.879 | 55.773 | 5.423 | 5.423 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 131 | THR | 0 | 0.014 | -0.022 | 56.776 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 132 | ASN | 0 | 0.025 | -0.013 | 53.078 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 133 | GLY | 0 | 0.007 | 0.006 | 52.112 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 134 | ASP | -1 | -0.778 | -0.865 | 52.433 | -5.845 | -5.845 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 135 | LEU | 0 | -0.020 | -0.001 | 49.555 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 136 | PHE | 0 | 0.028 | 0.008 | 46.607 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 137 | ALA | 0 | 0.001 | 0.001 | 47.620 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 138 | GLY | 0 | 0.021 | 0.009 | 47.771 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 139 | ALA | 0 | 0.007 | 0.003 | 44.075 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 140 | MET | 0 | -0.005 | 0.009 | 43.079 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 141 | PHE | 0 | 0.003 | 0.007 | 43.541 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 142 | LEU | 0 | 0.000 | -0.006 | 41.259 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 143 | LEU | 0 | 0.008 | 0.014 | 37.832 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 144 | LEU | 0 | 0.000 | -0.003 | 38.609 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 145 | LEU | 0 | -0.025 | -0.001 | 39.445 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 146 | ALA | 0 | 0.021 | 0.007 | 35.349 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 147 | ALA | 0 | 0.005 | 0.008 | 34.935 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 148 | VAL | 0 | -0.005 | -0.005 | 35.248 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 149 | MET | 0 | -0.020 | -0.003 | 34.459 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 150 | LEU | 0 | 0.022 | 0.003 | 29.473 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 151 | TYR | 0 | -0.002 | 0.006 | 30.959 | -0.358 | -0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 152 | ALA | 0 | 0.013 | 0.004 | 32.574 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 153 | GLY | 0 | 0.013 | -0.007 | 29.972 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 154 | TRP | 0 | -0.007 | -0.004 | 26.661 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 155 | LEU | 0 | 0.006 | 0.009 | 28.669 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 156 | HIS | 1 | 0.832 | 0.900 | 30.708 | 9.280 | 9.280 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 157 | LEU | 0 | 0.018 | 0.019 | 23.884 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 158 | GLN | 0 | -0.034 | -0.010 | 26.058 | -0.437 | -0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 159 | PRO | 0 | 0.003 | -0.018 | 26.233 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 160 | ARG | 1 | 0.924 | 0.972 | 28.745 | 8.999 | 8.999 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 161 | TYR | 0 | 0.024 | 0.009 | 31.453 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 162 | ARG | 1 | 0.868 | 0.951 | 23.079 | 12.272 | 12.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 163 | PRO | 0 | -0.023 | 0.007 | 30.587 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 164 | SER | 0 | 0.080 | 0.039 | 31.152 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 165 | LEU | 0 | -0.002 | -0.005 | 29.648 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 166 | ALA | 0 | 0.019 | 0.005 | 32.159 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 167 | TRP | 0 | -0.041 | -0.010 | 34.288 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 168 | PHE | 0 | -0.011 | -0.016 | 30.684 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 169 | LYS | 1 | 0.830 | 0.926 | 32.070 | 9.605 | 9.605 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 170 | ASN | 0 | 0.003 | 0.017 | 36.446 | 0.332 | 0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 171 | ALA | 0 | 0.033 | 0.011 | 39.859 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 172 | GLU | -1 | -0.772 | -0.892 | 41.148 | -7.126 | -7.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 173 | SER | 0 | 0.018 | 0.000 | 42.601 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 174 | ARG | 1 | 0.900 | 0.963 | 35.827 | 8.626 | 8.626 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 175 | LEU | 0 | 0.034 | 0.019 | 41.910 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 176 | ASN | 0 | 0.028 | 0.007 | 44.487 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 177 | HIS | 1 | 0.864 | 0.917 | 43.825 | 7.067 | 7.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 178 | HIS | 0 | 0.025 | 0.011 | 38.983 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 179 | LEU | 0 | 0.022 | 0.026 | 44.615 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 180 | ALA | 0 | 0.037 | 0.024 | 48.163 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 181 | GLY | 0 | -0.027 | -0.029 | 47.182 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 182 | LEU | 0 | -0.051 | 0.002 | 41.296 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 183 | PHE | 0 | -0.015 | -0.001 | 43.347 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 184 | GLY | 0 | 0.050 | 0.020 | 48.009 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 185 | VAL | 0 | 0.004 | -0.002 | 49.809 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 186 | SER | 0 | -0.009 | -0.014 | 46.709 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 187 | SER | 0 | -0.030 | -0.021 | 49.668 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 188 | LEU | 0 | 0.013 | 0.018 | 52.459 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 189 | ALA | 0 | -0.003 | -0.007 | 51.570 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 190 | TRP | 0 | -0.009 | -0.002 | 51.248 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 191 | THR | 0 | -0.003 | -0.023 | 53.565 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 192 | GLY | 0 | 0.004 | 0.007 | 56.723 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 193 | HIS | 0 | 0.000 | -0.008 | 54.394 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 194 | LEU | 0 | -0.026 | -0.011 | 56.126 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 195 | VAL | 0 | -0.015 | -0.015 | 58.462 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 196 | HIS | 0 | -0.063 | -0.036 | 59.425 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 197 | VAL | 0 | 0.025 | 0.018 | 57.092 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 198 | ALA | 0 | -0.006 | -0.002 | 57.505 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 199 | ILE | 0 | -0.010 | 0.001 | 59.455 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 200 | PRO | 0 | 0.012 | 0.009 | 62.453 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 201 | GLU | -1 | -0.765 | -0.892 | 59.919 | -5.216 | -5.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 202 | SER | 0 | -0.064 | -0.020 | 62.585 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 203 | ARG | 1 | 0.789 | 0.868 | 64.018 | 4.813 | 4.813 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 204 | GLY | 0 | 0.004 | 0.016 | 65.834 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 205 | GLN | 0 | -0.125 | -0.060 | 66.464 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 206 | HIS | 0 | 0.016 | 0.003 | 59.872 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 207 | VAL | 0 | -0.044 | -0.012 | 60.989 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 208 | GLY | 0 | 0.046 | 0.030 | 58.514 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 209 | TRP | 0 | -0.085 | -0.060 | 52.961 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 210 | ASP | -1 | -0.856 | -0.923 | 57.861 | -5.282 | -5.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 211 | ASN | 0 | -0.045 | -0.028 | 61.142 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 212 | PHE | 0 | 0.050 | 0.011 | 58.212 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 213 | LEU | 0 | -0.049 | -0.019 | 60.753 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 214 | SER | 0 | -0.060 | -0.026 | 63.933 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 215 | MET | 0 | 0.000 | 0.006 | 65.628 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 216 | PRO | 0 | -0.037 | -0.004 | 65.825 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 217 | PRO | 0 | 0.003 | -0.014 | 63.729 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 218 | HIS | 0 | 0.035 | 0.016 | 66.267 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 219 | PRO | 0 | 0.029 | 0.012 | 69.769 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 220 | GLU | -1 | -0.920 | -0.953 | 73.092 | -4.243 | -4.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 221 | GLY | 0 | 0.036 | 0.007 | 69.819 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 222 | LEU | 0 | -0.034 | -0.032 | 65.398 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 223 | LYS | 1 | 0.925 | 0.978 | 69.566 | 4.347 | 4.347 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 224 | PRO | 0 | 0.044 | 0.034 | 71.671 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 225 | PHE | 0 | -0.024 | -0.005 | 64.440 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 226 | PHE | 0 | 0.024 | 0.002 | 66.458 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 227 | THR | 0 | -0.047 | -0.028 | 71.021 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 228 | GLY | 0 | 0.001 | 0.013 | 71.577 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 229 | ASN | 0 | -0.017 | -0.005 | 72.655 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 230 | TRP | 0 | -0.038 | -0.044 | 65.977 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 231 | GLY | 0 | 0.030 | 0.022 | 70.800 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 232 | ALA | 0 | 0.047 | 0.018 | 73.117 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 233 | TYR | 0 | -0.007 | -0.008 | 68.258 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 234 | ALA | 0 | 0.031 | 0.021 | 69.437 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 235 | LEU | 0 | -0.024 | -0.007 | 71.168 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 236 | ASN | 0 | 0.019 | 0.020 | 73.529 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 237 | PRO | 0 | 0.066 | 0.029 | 70.665 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 238 | ASP | -1 | -0.800 | -0.870 | 67.867 | -4.676 | -4.676 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 239 | THR | 0 | -0.045 | -0.039 | 71.080 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 240 | SER | 0 | -0.007 | -0.034 | 71.891 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 241 | GLU | -1 | -0.906 | -0.936 | 72.203 | -4.285 | -4.285 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 242 | HIS | 0 | -0.051 | -0.001 | 66.753 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 243 | LEU | 0 | -0.013 | -0.006 | 69.360 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 244 | PHE | 0 | 0.029 | 0.023 | 60.346 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 245 | ASN | 0 | -0.046 | -0.020 | 63.302 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 246 | THR | 0 | -0.051 | -0.029 | 65.316 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 247 | SER | 0 | 0.074 | 0.022 | 69.137 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 248 | GLN | 0 | -0.036 | -0.017 | 72.001 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 249 | GLY | 0 | 0.101 | 0.052 | 72.635 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 250 | ALA | 0 | -0.048 | -0.004 | 71.059 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 251 | GLY | 0 | -0.016 | 0.001 | 71.311 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 252 | THR | 0 | -0.069 | -0.063 | 71.095 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 253 | ALA | 0 | -0.061 | -0.005 | 69.835 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 254 | ILE | 0 | -0.013 | -0.016 | 65.013 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 255 | LEU | 0 | -0.041 | -0.017 | 62.677 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 256 | THR | 0 | -0.020 | -0.030 | 65.598 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 257 | PHE | 0 | -0.043 | -0.031 | 63.353 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 258 | LEU | 0 | 0.080 | 0.047 | 67.091 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 259 | GLY | 0 | -0.020 | -0.007 | 65.068 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 260 | GLY | 0 | -0.029 | -0.017 | 65.202 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 261 | PHE | 0 | -0.073 | -0.050 | 60.539 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 262 | HIS | 0 | 0.017 | 0.017 | 64.378 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 263 | PRO | 0 | -0.009 | -0.011 | 65.680 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 264 | GLN | 0 | 0.052 | 0.031 | 66.767 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 265 | THR | 0 | -0.038 | -0.012 | 62.269 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 266 | GLU | -1 | -0.839 | -0.885 | 62.205 | -5.112 | -5.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 267 | SER | 0 | -0.018 | 0.001 | 59.282 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 268 | LEU | 0 | -0.017 | -0.016 | 57.246 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 269 | TRP | 0 | 0.073 | 0.048 | 60.980 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 270 | LEU | 0 | 0.023 | 0.001 | 58.605 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 271 | THR | 0 | 0.052 | 0.027 | 61.456 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 272 | ASP | -1 | -0.785 | -0.887 | 62.708 | -4.977 | -4.977 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 273 | MET | 0 | -0.046 | -0.021 | 57.116 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 274 | ALA | 0 | 0.034 | 0.028 | 58.195 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 275 | HIS | 0 | 0.014 | 0.004 | 59.733 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 276 | HIS | 0 | -0.004 | 0.002 | 54.033 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 277 | HIS | 1 | 0.853 | 0.915 | 52.426 | 5.825 | 5.825 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 278 | LEU | 0 | 0.084 | 0.061 | 56.158 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 279 | ALA | 0 | 0.020 | 0.008 | 58.640 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 280 | ILE | 0 | -0.031 | -0.018 | 52.659 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 281 | ALA | 0 | 0.003 | 0.003 | 54.085 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 282 | VAL | 0 | 0.012 | 0.004 | 55.072 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 283 | ILE | 0 | 0.005 | 0.009 | 54.925 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 284 | PHE | 0 | -0.020 | -0.017 | 48.810 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 285 | ILE | 0 | 0.005 | -0.001 | 52.050 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 286 | ILE | 0 | -0.012 | 0.004 | 53.974 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 287 | ALA | 0 | 0.003 | 0.000 | 51.898 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 288 | GLY | 0 | -0.032 | -0.034 | 49.982 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 289 | HIS | 0 | -0.069 | -0.037 | 50.780 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 290 | MET | 0 | -0.018 | 0.021 | 51.226 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 291 | TYR | 0 | 0.016 | 0.000 | 47.818 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 292 | ARG | 1 | 0.886 | 0.959 | 49.161 | 6.149 | 6.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 293 | THR | 0 | -0.030 | -0.030 | 46.562 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 294 | ASN | 0 | -0.025 | -0.022 | 47.379 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 295 | PHE | 0 | 0.049 | 0.029 | 49.597 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 296 | GLY | 0 | 0.013 | 0.029 | 52.675 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 297 | ILE | 0 | -0.003 | -0.014 | 54.194 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 298 | GLY | 0 | 0.049 | 0.031 | 52.887 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 299 | HIS | 0 | -0.046 | -0.046 | 51.414 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 300 | SER | 0 | 0.004 | 0.011 | 47.711 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 301 | ILE | 0 | 0.029 | 0.004 | 44.673 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 302 | LYS | 1 | 0.864 | 0.935 | 41.872 | 7.501 | 7.501 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 303 | GLU | -1 | -0.857 | -0.937 | 45.909 | -6.251 | -6.251 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 304 | MET | 0 | -0.010 | 0.020 | 49.545 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 305 | THR | 0 | -0.038 | -0.027 | 45.015 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 306 | GLU | -1 | -0.845 | -0.933 | 44.889 | -6.990 | -6.990 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 307 | SER | 0 | 0.009 | -0.009 | 48.585 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 308 | LEU | 0 | -0.032 | 0.005 | 49.917 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 309 | GLN | 0 | -0.067 | -0.048 | 50.841 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 310 | GLY | 0 | 0.070 | 0.027 | 51.865 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 311 | PRO | 0 | -0.015 | -0.015 | 55.092 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 312 | GLY | 0 | 0.035 | 0.021 | 58.831 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 313 | TRP | 0 | 0.000 | -0.015 | 60.031 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 314 | THR | 0 | -0.011 | -0.002 | 58.454 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 315 | GLY | 0 | 0.028 | 0.033 | 56.038 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 316 | PHE | 0 | 0.001 | 0.003 | 51.127 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 317 | PHE | 0 | 0.010 | -0.012 | 55.369 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 318 | ILE | 0 | -0.007 | -0.002 | 54.313 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 319 | ALA | 0 | -0.005 | 0.000 | 53.573 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 320 | PRO | 0 | 0.020 | 0.033 | 54.160 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 321 | ASN | 0 | -0.030 | -0.009 | 55.010 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 322 | THR | 0 | -0.010 | -0.033 | 49.971 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 323 | GLY | 0 | 0.015 | 0.031 | 49.453 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 324 | ARG | 1 | 0.830 | 0.883 | 42.760 | 7.339 | 7.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 325 | GLY | 0 | 0.040 | 0.025 | 48.524 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 326 | HIS | 0 | -0.034 | -0.033 | 46.127 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 327 | LYS | 1 | 0.871 | 0.940 | 45.296 | 6.441 | 6.441 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 328 | GLY | 0 | 0.013 | 0.020 | 41.655 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 329 | ILE | 0 | -0.018 | -0.003 | 40.206 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 330 | TYR | 0 | -0.012 | -0.002 | 40.363 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 331 | ASP | -1 | -0.830 | -0.917 | 37.949 | -7.979 | -7.979 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 332 | ALA | 0 | -0.006 | -0.001 | 36.038 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 333 | TYR | 0 | -0.014 | -0.021 | 35.413 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 334 | ASN | 0 | -0.038 | -0.045 | 35.604 | -0.403 | -0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 335 | ASN | 0 | -0.006 | 0.004 | 32.707 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 336 | SER | 0 | -0.017 | -0.030 | 30.689 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 337 | LEU | 0 | 0.016 | -0.001 | 27.717 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 338 | HIS | 1 | 0.766 | 0.872 | 25.463 | 11.667 | 11.667 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 339 | PHE | 0 | 0.062 | 0.036 | 30.609 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 340 | GLN | 0 | -0.046 | -0.020 | 33.271 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 341 | LEU | 0 | -0.041 | -0.010 | 29.154 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 342 | GLY | 0 | 0.063 | 0.023 | 33.068 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 343 | TRP | 0 | 0.030 | 0.014 | 34.636 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 344 | HIS | 0 | -0.015 | -0.012 | 35.407 | 0.388 | 0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 345 | LEU | 0 | -0.016 | 0.008 | 32.084 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 346 | ALA | 0 | 0.046 | 0.021 | 36.756 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 347 | CYS | 0 | -0.064 | -0.034 | 39.788 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 348 | LEU | 0 | 0.020 | 0.005 | 37.307 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 349 | GLY | 0 | 0.063 | 0.036 | 40.095 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 350 | VAL | 0 | 0.014 | 0.011 | 40.989 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 351 | VAL | 0 | -0.017 | -0.010 | 43.752 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 352 | THR | 0 | -0.027 | -0.026 | 41.441 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 353 | SER | 0 | 0.022 | -0.005 | 43.991 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 354 | LEU | 0 | -0.066 | -0.021 | 46.080 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 355 | VAL | 0 | -0.012 | -0.005 | 46.268 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 356 | ALA | 0 | 0.008 | 0.007 | 46.502 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 357 | GLN | 0 | 0.005 | -0.003 | 48.521 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 358 | HIS | 0 | 0.029 | 0.006 | 51.626 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 359 | MET | 0 | -0.033 | -0.016 | 49.405 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 360 | TYR | 0 | 0.006 | 0.008 | 52.715 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 361 | ALA | 0 | -0.003 | 0.008 | 54.716 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 362 | MET | 0 | -0.022 | -0.032 | 56.288 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 363 | PRO | 0 | 0.037 | 0.033 | 56.097 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 364 | PRO | 0 | -0.008 | -0.003 | 52.955 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 365 | TYR | 0 | -0.016 | -0.028 | 50.509 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 366 | ALA | 0 | 0.052 | 0.027 | 56.399 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 367 | PHE | 0 | 0.053 | 0.005 | 58.233 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 368 | ILE | 0 | -0.033 | -0.010 | 51.884 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 369 | ALA | 0 | 0.001 | -0.001 | 56.425 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 370 | ARG | 1 | 0.806 | 0.864 | 58.646 | 5.146 | 5.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 371 | ASP | -1 | -0.785 | -0.859 | 54.065 | -6.069 | -6.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 372 | TYR | 0 | 0.025 | 0.005 | 54.780 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 373 | THR | 0 | 0.058 | 0.029 | 50.655 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 374 | THR | 0 | -0.041 | -0.028 | 50.088 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 375 | THR | 0 | -0.055 | -0.024 | 49.981 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 376 | ALA | 0 | 0.007 | -0.006 | 50.835 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 377 | ALA | 0 | 0.000 | 0.020 | 46.418 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 378 | LEU | 0 | -0.032 | -0.021 | 45.884 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 379 | TYR | 0 | -0.012 | -0.009 | 46.313 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 380 | THR | 0 | 0.002 | -0.020 | 44.023 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 381 | HIS | 0 | -0.025 | -0.008 | 39.221 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 382 | HIS | 0 | 0.018 | 0.004 | 41.639 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 383 | GLN | 0 | 0.037 | 0.012 | 42.643 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 384 | TYR | 0 | 0.009 | 0.000 | 39.422 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 385 | ILE | 0 | -0.042 | -0.010 | 36.757 | -0.273 | -0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 386 | ALA | 0 | 0.022 | 0.005 | 38.244 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 387 | GLY | 0 | 0.032 | 0.013 | 39.847 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 388 | PHE | 0 | 0.003 | -0.019 | 32.988 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 389 | LEU | 0 | -0.050 | -0.006 | 34.876 | -0.280 | -0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 390 | MET | 0 | 0.003 | 0.003 | 36.321 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 391 | LEU | 0 | -0.031 | -0.005 | 33.300 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 392 | GLY | 0 | 0.009 | -0.006 | 32.195 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 393 | ALA | 0 | -0.017 | -0.010 | 32.682 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 394 | PHE | 0 | 0.024 | 0.004 | 34.672 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 395 | ALA | 0 | 0.002 | 0.018 | 29.832 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 396 | HIS | 0 | 0.025 | 0.022 | 26.821 | -0.323 | -0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 397 | GLY | 0 | 0.051 | 0.029 | 31.000 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 398 | GLY | 0 | 0.031 | 0.005 | 31.464 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 399 | ILE | 0 | -0.046 | -0.030 | 25.818 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 400 | PHE | 0 | 0.008 | -0.007 | 28.273 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 401 | LEU | 0 | -0.017 | -0.006 | 30.798 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 402 | ILE | 0 | -0.056 | -0.019 | 25.583 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 403 | ARG | 1 | 0.765 | 0.862 | 20.779 | 13.886 | 13.886 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 404 | ASP | -1 | -0.771 | -0.859 | 27.159 | -11.096 | -11.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 405 | TYR | 0 | -0.052 | -0.018 | 29.932 | 0.336 | 0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 406 | ASP | -1 | -0.775 | -0.895 | 32.705 | -9.112 | -9.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 407 | PRO | 0 | -0.019 | -0.021 | 33.952 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 408 | VAL | 0 | 0.007 | 0.013 | 36.667 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 409 | ALA | 0 | -0.001 | 0.002 | 37.355 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 410 | ASN | 0 | -0.047 | -0.034 | 37.179 | 0.370 | 0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 411 | GLU | -1 | -0.847 | -0.909 | 40.473 | -7.269 | -7.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 412 | ASN | 0 | 0.031 | 0.018 | 42.726 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 413 | ASN | 0 | 0.015 | 0.024 | 41.452 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 414 | VAL | 0 | 0.027 | -0.015 | 44.477 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 415 | LEU | 0 | -0.033 | -0.004 | 37.534 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 416 | ALA | 0 | 0.012 | 0.000 | 40.943 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 417 | ARG | 1 | 0.875 | 0.934 | 41.911 | 6.529 | 6.529 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 418 | VAL | 0 | -0.023 | -0.004 | 41.526 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 419 | LEU | 0 | -0.049 | -0.024 | 37.216 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 420 | ASP | -1 | -0.955 | -0.961 | 41.058 | -7.142 | -7.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 421 | HIS | 0 | -0.013 | -0.012 | 43.814 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 422 | LYS | 1 | 0.869 | 0.926 | 37.701 | 8.529 | 8.529 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 423 | GLU | -1 | -0.858 | -0.940 | 43.081 | -7.409 | -7.409 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 424 | ALA | 0 | -0.017 | 0.023 | 45.157 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 425 | ILE | 0 | 0.014 | 0.019 | 43.918 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 426 | ILE | 0 | 0.014 | 0.010 | 40.596 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 427 | SER | 0 | -0.020 | -0.040 | 44.600 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 428 | HIS | 1 | 0.852 | 0.915 | 47.795 | 6.438 | 6.438 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 429 | LEU | 0 | 0.059 | 0.033 | 43.767 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 430 | SER | 0 | -0.016 | 0.009 | 46.081 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 431 | TRP | 0 | 0.005 | 0.001 | 47.596 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 432 | VAL | 0 | 0.021 | 0.008 | 50.392 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 433 | SER | 0 | 0.012 | -0.009 | 47.130 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 434 | LEU | 0 | -0.019 | -0.010 | 48.771 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 435 | PHE | 0 | -0.024 | 0.004 | 51.240 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 436 | LEU | 0 | 0.035 | 0.014 | 51.290 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 437 | GLY | 0 | 0.033 | 0.027 | 51.173 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 438 | PHE | 0 | -0.020 | -0.019 | 51.951 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 439 | HIS | 0 | -0.040 | -0.022 | 54.864 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 440 | THR | 0 | -0.011 | -0.021 | 53.727 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 441 | LEU | 0 | -0.001 | 0.001 | 51.877 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 442 | ALA | 0 | -0.006 | -0.002 | 55.103 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 443 | LEU | 0 | -0.005 | -0.007 | 58.540 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 444 | TYR | 0 | -0.007 | 0.005 | 55.388 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 445 | VAL | 0 | 0.030 | 0.008 | 55.998 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 446 | HIS | 0 | -0.035 | -0.012 | 58.923 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 447 | ASN | 0 | 0.011 | 0.013 | 61.797 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 448 | ASP | -1 | -0.797 | -0.908 | 58.176 | -5.520 | -5.520 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 449 | CYS | 0 | -0.083 | -0.038 | 61.591 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 450 | GLU | -1 | -0.879 | -0.943 | 63.952 | -4.672 | -4.672 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 451 | VAL | 0 | -0.047 | -0.019 | 64.331 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 452 | ALA | 0 | -0.048 | -0.018 | 63.488 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 453 | PHE | 0 | -0.071 | -0.042 | 65.613 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 454 | GLY | 0 | -0.006 | 0.002 | 68.894 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 455 | SER | 0 | -0.015 | 0.003 | 69.994 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 456 | PRO | 0 | 0.019 | 0.002 | 68.750 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 457 | ASP | -1 | -0.842 | -0.914 | 69.747 | -4.457 | -4.457 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 458 | LYS | 1 | 0.837 | 0.905 | 70.459 | 4.442 | 4.442 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 459 | GLN | 0 | 0.004 | 0.019 | 64.962 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 460 | ILE | 0 | -0.009 | -0.008 | 64.777 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 461 | LEU | 0 | -0.021 | -0.010 | 64.752 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 462 | VAL | 0 | -0.012 | -0.006 | 63.966 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 463 | GLU | -1 | -0.751 | -0.891 | 64.647 | -4.891 | -4.891 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 464 | PRO | 0 | -0.045 | 0.006 | 62.127 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 465 | VAL | 0 | 0.031 | 0.003 | 64.033 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 466 | PHE | 0 | -0.011 | -0.011 | 62.862 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 467 | ALA | 0 | 0.020 | 0.012 | 61.227 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 468 | GLN | 0 | -0.044 | -0.035 | 63.124 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 469 | TRP | 0 | 0.031 | 0.005 | 65.860 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 470 | ILE | 0 | 0.004 | -0.004 | 61.145 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 471 | GLN | 0 | 0.030 | 0.019 | 62.213 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 472 | ALA | 0 | 0.024 | 0.024 | 65.805 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 473 | VAL | 0 | -0.089 | -0.049 | 65.752 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 474 | HIS | 0 | -0.042 | -0.033 | 62.475 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 475 | GLY | 0 | 0.051 | 0.031 | 66.925 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 476 | LYS | 1 | 0.812 | 0.918 | 65.951 | 4.930 | 4.930 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 477 | ALA | 0 | 0.020 | 0.013 | 69.877 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 478 | LEU | 0 | -0.038 | -0.008 | 68.289 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 479 | TYR | 0 | 0.033 | -0.014 | 66.026 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 480 | GLY | 0 | 0.028 | 0.026 | 72.701 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 481 | ILE | 0 | -0.057 | -0.037 | 70.580 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 482 | SER | 0 | 0.036 | 0.025 | 73.850 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 483 | SER | 0 | 0.021 | 0.006 | 70.547 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 484 | LEU | 0 | -0.033 | -0.020 | 68.643 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 485 | LEU | 0 | 0.063 | 0.027 | 68.017 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 486 | SER | 0 | -0.047 | -0.009 | 71.886 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 487 | ASN | 0 | 0.013 | 0.004 | 73.629 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 488 | PRO | 0 | 0.020 | 0.023 | 76.327 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 489 | ASP | -1 | -0.891 | -0.950 | 77.971 | -4.000 | -4.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 490 | SER | 0 | -0.046 | -0.016 | 74.373 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 491 | ILE | 0 | 0.003 | 0.001 | 74.239 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 492 | ALA | 0 | -0.050 | -0.024 | 70.961 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 493 | SER | 0 | 0.018 | -0.012 | 72.673 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 494 | THR | 0 | 0.014 | 0.005 | 74.394 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 495 | ALA | 0 | 0.017 | 0.024 | 73.042 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 496 | TRP | 0 | 0.001 | -0.004 | 74.826 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 497 | PRO | 0 | -0.032 | -0.008 | 76.033 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 498 | ASN | 0 | -0.043 | -0.028 | 72.339 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 499 | HIS | 0 | -0.051 | -0.031 | 76.588 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 500 | ALA | 0 | 0.034 | 0.024 | 72.889 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 501 | ASN | 0 | -0.055 | -0.033 | 70.877 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 502 | VAL | 0 | -0.003 | -0.017 | 70.185 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 503 | TRP | 0 | 0.035 | 0.029 | 66.992 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 504 | LEU | 0 | -0.026 | -0.004 | 69.064 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 505 | PRO | 0 | 0.028 | 0.014 | 71.062 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 506 | GLY | 0 | 0.115 | 0.066 | 69.505 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 507 | TRP | 0 | -0.081 | -0.051 | 61.925 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 508 | LEU | 0 | -0.003 | -0.011 | 67.890 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 509 | GLU | -1 | -0.903 | -0.953 | 70.696 | -4.445 | -4.445 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 510 | ALA | 0 | -0.032 | -0.008 | 65.354 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 511 | ILE | 0 | -0.015 | 0.003 | 65.456 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 512 | ASN | 0 | -0.071 | -0.047 | 67.234 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 513 | ASN | 0 | 0.051 | 0.060 | 67.915 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 514 | GLY | 0 | -0.025 | -0.019 | 67.332 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 515 | THR | 0 | -0.055 | -0.044 | 66.586 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 516 | ASN | 0 | 0.006 | 0.015 | 62.963 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 517 | SER | 0 | 0.005 | -0.025 | 58.523 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 518 | LEU | 0 | -0.024 | 0.009 | 59.917 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 519 | PHE | 0 | -0.028 | -0.021 | 60.790 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 520 | LEU | 0 | 0.037 | 0.029 | 58.989 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 521 | ALA | 0 | 0.033 | 0.029 | 62.707 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 522 | ILE | 0 | -0.061 | -0.017 | 60.747 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 523 | GLY | 0 | 0.072 | 0.034 | 63.349 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 524 | PRO | 0 | 0.014 | 0.000 | 63.017 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 525 | GLY | 0 | 0.053 | 0.034 | 60.834 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 526 | ASP | -1 | -0.744 | -0.840 | 58.726 | -5.487 | -5.487 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 527 | PHE | 0 | 0.028 | 0.016 | 58.245 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 528 | LEU | 0 | 0.014 | 0.022 | 57.982 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 529 | VAL | 0 | 0.037 | 0.027 | 53.205 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 530 | HIS | 0 | -0.035 | -0.030 | 53.430 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 531 | HIS | 0 | -0.075 | -0.034 | 53.597 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 532 | ALA | 0 | 0.034 | 0.029 | 51.161 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 533 | ILE | 0 | 0.018 | 0.001 | 48.844 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 534 | ALA | 0 | -0.013 | -0.002 | 48.702 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 535 | LEU | 0 | 0.003 | 0.013 | 48.145 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 536 | GLY | 0 | 0.041 | 0.015 | 45.673 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 537 | LEU | 0 | 0.002 | 0.015 | 44.410 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 538 | HIS | 0 | -0.053 | -0.022 | 44.615 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 539 | VAL | 0 | 0.023 | 0.015 | 42.246 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 540 | THR | 0 | -0.014 | -0.030 | 39.289 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 541 | THR | 0 | -0.033 | -0.032 | 39.946 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 542 | LEU | 0 | -0.045 | -0.018 | 41.171 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 543 | ILE | 0 | -0.023 | -0.009 | 36.383 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 544 | LEU | 0 | 0.023 | 0.017 | 35.097 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 545 | VAL | 0 | -0.014 | -0.001 | 36.772 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 546 | LYS | 1 | 0.929 | 0.972 | 35.866 | 8.717 | 8.717 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 547 | GLY | 0 | 0.009 | -0.012 | 34.650 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 548 | ALA | 0 | -0.016 | -0.008 | 33.739 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 549 | LEU | 0 | -0.004 | -0.006 | 34.783 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 550 | ASP | -1 | -0.875 | -0.927 | 35.369 | -8.505 | -8.505 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 551 | ALA | 0 | -0.006 | 0.003 | 30.741 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 552 | ARG | 1 | 0.893 | 0.939 | 30.618 | 9.472 | 9.472 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 553 | GLY | 0 | 0.051 | 0.040 | 31.930 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 554 | SER | 0 | -0.014 | -0.018 | 33.899 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 555 | LYS | 1 | 0.976 | 0.976 | 36.314 | 7.486 | 7.486 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 556 | LEU | 0 | 0.015 | 0.026 | 34.234 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 557 | MET | 0 | 0.014 | 0.012 | 26.973 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 558 | PRO | 0 | 0.009 | 0.004 | 33.130 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 559 | ASP | -1 | -0.847 | -0.923 | 29.149 | -10.700 | -10.700 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 560 | LYS | 1 | 0.813 | 0.914 | 28.618 | 9.654 | 9.654 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 561 | LYS | 1 | 0.874 | 0.913 | 27.318 | 10.264 | 10.264 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 562 | ASP | -1 | -0.877 | -0.927 | 25.466 | -11.599 | -11.599 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 563 | PHE | 0 | -0.023 | 0.000 | 23.135 | -0.736 | -0.736 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 564 | GLY | 0 | -0.015 | 0.005 | 22.825 | -0.572 | -0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 565 | TYR | 0 | 0.028 | -0.003 | 23.832 | 0.432 | 0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 566 | ALA | 0 | -0.013 | -0.015 | 22.149 | 0.483 | 0.483 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 567 | PHE | 0 | 0.005 | 0.008 | 21.756 | -0.717 | -0.717 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 568 | PRO | 0 | -0.010 | -0.014 | 20.814 | 0.501 | 0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 569 | CYS | 0 | -0.011 | 0.011 | 23.747 | 0.370 | 0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 570 | ASP | -1 | -0.772 | -0.865 | 25.046 | -11.985 | -11.985 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 571 | GLY | 0 | 0.038 | 0.009 | 26.506 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 572 | PRO | 0 | -0.001 | -0.023 | 27.472 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 573 | GLY | 0 | 0.030 | 0.024 | 30.448 | 0.359 | 0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 574 | ARG | 1 | 0.753 | 0.822 | 30.687 | 10.159 | 10.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 575 | GLY | 0 | 0.035 | 0.026 | 35.595 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 576 | GLY | 0 | -0.015 | 0.014 | 32.383 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 577 | THR | 0 | -0.029 | -0.013 | 29.769 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 578 | CYS | 0 | -0.010 | -0.015 | 29.568 | -0.451 | -0.451 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 579 | ASP | -1 | -0.825 | -0.916 | 29.452 | -10.358 | -10.358 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 580 | ILE | 0 | -0.008 | 0.012 | 28.640 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 581 | SER | 0 | -0.035 | -0.037 | 26.488 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 582 | ALA | 0 | 0.061 | 0.016 | 28.362 | 0.345 | 0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 583 | TRP | 0 | -0.013 | 0.005 | 24.828 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 584 | ASP | -1 | -0.766 | -0.849 | 27.654 | -11.613 | -11.613 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 585 | SER | 0 | -0.040 | -0.016 | 29.633 | 0.382 | 0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 586 | VAL | 0 | 0.031 | 0.010 | 30.295 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 587 | TYR | 0 | -0.013 | 0.010 | 28.976 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 588 | LEU | 0 | 0.017 | -0.002 | 31.080 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 589 | ALA | 0 | 0.010 | 0.001 | 34.351 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 590 | THR | 0 | -0.022 | -0.026 | 32.812 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 591 | PHE | 0 | 0.002 | 0.008 | 32.185 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 592 | TRP | 0 | 0.052 | 0.023 | 37.112 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 593 | MET | 0 | -0.034 | 0.036 | 36.472 | 0.336 | 0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 594 | LEU | 0 | 0.017 | -0.003 | 35.460 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 595 | ASN | 0 | -0.013 | 0.003 | 39.782 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 596 | THR | 0 | -0.014 | -0.022 | 42.735 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 597 | LEU | 0 | -0.006 | -0.012 | 41.703 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 598 | GLY | 0 | 0.033 | 0.050 | 43.754 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 599 | TRP | 0 | -0.013 | -0.003 | 45.223 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 600 | VAL | 0 | 0.000 | -0.005 | 47.026 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 601 | THR | 0 | -0.047 | -0.044 | 45.537 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 602 | PHE | 0 | 0.022 | 0.007 | 46.199 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 603 | TYR | 0 | -0.054 | -0.052 | 50.448 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 604 | TRP | 0 | -0.009 | 0.009 | 51.444 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 605 | HIS | 0 | 0.040 | 0.039 | 51.177 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 606 | TRP | 0 | -0.003 | -0.003 | 53.276 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 607 | LYS | 1 | 0.811 | 0.891 | 55.899 | 5.441 | 5.441 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 608 | HIS | 1 | 0.814 | 0.899 | 55.574 | 5.871 | 5.871 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 609 | LEU | 0 | 0.023 | 0.017 | 54.482 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 610 | ALA | 0 | -0.034 | 0.008 | 58.346 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 611 | ILE | 0 | -0.015 | -0.014 | 60.744 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 612 | TRP | 0 | -0.002 | -0.005 | 54.577 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 613 | SER | 0 | 0.002 | 0.003 | 61.620 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 614 | GLY | 0 | 0.008 | 0.018 | 64.026 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 615 | ASN | 0 | -0.034 | -0.020 | 65.403 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 616 | VAL | 0 | 0.043 | 0.004 | 63.834 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | A | 617 | ALA | 0 | -0.001 | -0.004 | 64.741 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | A | 618 | GLN | 0 | 0.053 | 0.040 | 60.179 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | A | 619 | PHE | 0 | 0.032 | 0.013 | 57.138 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | A | 620 | ASN | 0 | -0.046 | -0.024 | 61.844 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | A | 621 | GLU | -1 | -0.963 | -0.979 | 64.643 | -4.833 | -4.833 | 0.000 | 0.000 | 0.000 | 0.000 |
| 621 | A | 622 | GLY | 0 | 0.061 | 0.046 | 62.156 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 622 | A | 623 | SER | 0 | -0.056 | -0.053 | 58.519 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 623 | A | 624 | THR | 0 | 0.005 | -0.020 | 58.967 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 624 | A | 625 | TYR | 0 | 0.016 | 0.019 | 59.781 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 625 | A | 626 | LEU | 0 | 0.018 | 0.007 | 53.681 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 626 | A | 627 | MET | 0 | -0.025 | -0.018 | 56.064 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 627 | A | 628 | GLY | 0 | 0.040 | 0.037 | 58.174 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 628 | A | 629 | TRP | 0 | -0.038 | -0.037 | 53.427 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 629 | A | 630 | PHE | 0 | -0.038 | -0.014 | 51.000 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 630 | A | 631 | ARG | 1 | 0.838 | 0.874 | 54.693 | 5.191 | 5.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 631 | A | 632 | ASP | -1 | -0.793 | -0.871 | 57.713 | -5.294 | -5.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 632 | A | 633 | TYR | 0 | -0.016 | -0.025 | 50.822 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 633 | A | 634 | LEU | 0 | 0.019 | 0.010 | 49.450 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 634 | A | 635 | TRP | 0 | -0.011 | 0.011 | 52.743 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 635 | A | 636 | LEU | 0 | 0.000 | 0.003 | 54.587 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 636 | A | 637 | ASN | 0 | -0.069 | -0.034 | 53.983 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 637 | A | 638 | SER | 0 | 0.007 | -0.011 | 51.278 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 638 | A | 639 | ALA | 0 | -0.019 | 0.001 | 52.758 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 639 | A | 640 | GLN | 0 | 0.023 | 0.010 | 55.033 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 640 | A | 641 | LEU | 0 | 0.015 | 0.021 | 47.163 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 641 | A | 642 | ILE | 0 | -0.048 | -0.037 | 49.441 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 642 | A | 643 | ASN | 0 | -0.040 | -0.018 | 51.187 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 643 | A | 644 | GLY | 0 | 0.000 | 0.019 | 50.402 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 644 | A | 645 | TYR | 0 | -0.027 | -0.030 | 45.286 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 645 | A | 646 | ASN | 0 | -0.002 | -0.002 | 51.165 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 646 | A | 647 | PRO | 0 | -0.020 | -0.030 | 53.347 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 647 | A | 648 | TYR | 0 | -0.037 | -0.009 | 55.172 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 648 | A | 649 | GLY | 0 | 0.006 | 0.015 | 55.197 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 649 | A | 650 | THR | 0 | -0.015 | -0.007 | 50.434 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 650 | A | 651 | ASN | 0 | 0.069 | 0.031 | 52.664 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 651 | A | 652 | ASN | 0 | 0.081 | 0.036 | 51.017 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 652 | A | 653 | LEU | 0 | -0.002 | 0.000 | 49.667 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 653 | A | 654 | ALA | 0 | -0.018 | 0.002 | 48.207 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 654 | A | 655 | ILE | 0 | 0.032 | 0.008 | 41.555 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 655 | A | 656 | TRP | 0 | 0.042 | 0.019 | 42.871 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 656 | A | 657 | ALA | 0 | 0.048 | 0.017 | 45.127 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 657 | A | 658 | TRP | 0 | -0.003 | 0.005 | 36.904 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 658 | A | 659 | ILE | 0 | -0.007 | -0.015 | 39.510 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
| 659 | A | 660 | PHE | 0 | 0.051 | 0.030 | 40.510 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 660 | A | 661 | LEU | 0 | -0.007 | 0.009 | 41.922 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 661 | A | 662 | PHE | 0 | -0.018 | -0.005 | 33.215 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 662 | A | 663 | GLY | 0 | 0.017 | 0.005 | 36.937 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 663 | A | 664 | HIS | 0 | -0.016 | -0.024 | 37.683 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 664 | A | 665 | LEU | 0 | -0.024 | 0.004 | 34.818 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 665 | A | 666 | VAL | 0 | -0.032 | -0.020 | 31.659 | -0.273 | -0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 666 | A | 667 | TRP | 0 | 0.025 | 0.013 | 33.273 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 667 | A | 668 | ALA | 0 | 0.012 | 0.024 | 35.295 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 668 | A | 669 | ILE | 0 | -0.014 | -0.013 | 29.786 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 669 | A | 670 | SER | 0 | -0.074 | -0.061 | 30.796 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
| 670 | A | 671 | PHE | 0 | 0.017 | 0.002 | 31.323 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 671 | A | 672 | MET | 0 | 0.003 | 0.021 | 27.520 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 672 | A | 673 | PHE | 0 | -0.031 | -0.006 | 24.293 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 673 | A | 674 | LEU | 0 | -0.014 | 0.005 | 27.847 | -0.291 | -0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 674 | A | 675 | ILE | 0 | -0.004 | 0.015 | 30.559 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 675 | A | 676 | THR | 0 | -0.046 | -0.027 | 29.142 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 676 | A | 677 | TRP | 0 | 0.005 | -0.015 | 26.765 | -0.523 | -0.523 | 0.000 | 0.000 | 0.000 | 0.000 |
| 677 | A | 678 | ARG | 1 | 0.786 | 0.878 | 17.146 | 16.828 | 16.828 | 0.000 | 0.000 | 0.000 | 0.000 |
| 678 | A | 679 | GLY | 0 | 0.013 | 0.009 | 23.332 | -0.331 | -0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
| 679 | A | 680 | TYR | 0 | 0.098 | 0.051 | 24.632 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 680 | A | 681 | TRP | 0 | 0.006 | -0.011 | 23.118 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 681 | A | 682 | GLN | 0 | -0.092 | -0.051 | 17.788 | -1.032 | -1.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 682 | A | 683 | GLU | -1 | -0.864 | -0.931 | 21.597 | -12.064 | -12.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 683 | A | 684 | LEU | 0 | 0.000 | 0.008 | 24.201 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 684 | A | 685 | ILE | 0 | -0.016 | -0.011 | 18.290 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 685 | A | 686 | GLU | -1 | -0.862 | -0.919 | 19.877 | -15.532 | -15.532 | 0.000 | 0.000 | 0.000 | 0.000 |
| 686 | A | 687 | THR | 0 | -0.046 | -0.030 | 21.469 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 687 | A | 688 | LEU | 0 | -0.006 | -0.003 | 22.319 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 688 | A | 689 | MET | 0 | -0.030 | -0.011 | 16.346 | -0.362 | -0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
| 689 | A | 690 | TRP | 0 | 0.018 | 0.019 | 20.471 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 690 | A | 691 | ALA | 0 | 0.034 | 0.013 | 23.193 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 691 | A | 692 | HIS | 0 | -0.060 | -0.016 | 20.001 | 0.547 | 0.547 | 0.000 | 0.000 | 0.000 | 0.000 |
| 692 | A | 693 | GLU | -1 | -0.889 | -0.939 | 17.820 | -17.315 | -17.315 | 0.000 | 0.000 | 0.000 | 0.000 |
| 693 | A | 694 | ASN | 0 | -0.091 | -0.042 | 22.076 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
| 694 | A | 695 | THR | 0 | -0.019 | -0.009 | 25.312 | 0.786 | 0.786 | 0.000 | 0.000 | 0.000 | 0.000 |
| 695 | A | 696 | PRO | 0 | -0.006 | -0.016 | 26.035 | -0.353 | -0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
| 696 | A | 697 | LEU | 0 | -0.018 | -0.020 | 27.542 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 697 | A | 698 | SER | 0 | 0.003 | 0.018 | 23.810 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 698 | A | 699 | PHE | 0 | -0.025 | -0.024 | 21.964 | -0.490 | -0.490 | 0.000 | 0.000 | 0.000 | 0.000 |
| 699 | A | 700 | GLY | 0 | -0.021 | 0.015 | 18.927 | -0.670 | -0.670 | 0.000 | 0.000 | 0.000 | 0.000 |
| 700 | A | 701 | TYR | 0 | -0.038 | -0.047 | 13.251 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 701 | A | 702 | PRO | 0 | -0.019 | 0.001 | 13.793 | -0.882 | -0.882 | 0.000 | 0.000 | 0.000 | 0.000 |
| 702 | A | 703 | LYS | 1 | 0.958 | 0.972 | 6.651 | 38.838 | 38.838 | 0.000 | 0.000 | 0.000 | 0.000 |
| 703 | A | 704 | ASP | -1 | -0.866 | -0.928 | 7.737 | -34.608 | -34.608 | 0.000 | 0.000 | 0.000 | 0.000 |
| 704 | A | 705 | LYS | 1 | 0.986 | 0.979 | 9.322 | 29.002 | 29.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 705 | A | 706 | PRO | 0 | 0.037 | 0.011 | 11.720 | -0.470 | -0.470 | 0.000 | 0.000 | 0.000 | 0.000 |
| 706 | A | 707 | VAL | 0 | -0.024 | -0.006 | 13.523 | 0.288 | 0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
| 707 | A | 708 | ALA | 0 | 0.038 | 0.035 | 16.046 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 708 | A | 709 | LEU | 0 | 0.029 | 0.013 | 17.738 | -0.939 | -0.939 | 0.000 | 0.000 | 0.000 | 0.000 |
| 709 | A | 710 | SER | 0 | -0.008 | 0.004 | 16.917 | 0.432 | 0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
| 710 | A | 711 | ILE | 0 | 0.067 | 0.021 | 18.938 | 0.343 | 0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
| 711 | A | 712 | VAL | 0 | 0.050 | 0.032 | 21.056 | 0.397 | 0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
| 712 | A | 713 | GLN | 0 | 0.006 | 0.012 | 17.330 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 713 | A | 714 | ALA | 0 | 0.008 | 0.011 | 21.165 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 714 | A | 715 | ARG | 1 | 0.812 | 0.895 | 23.851 | 12.063 | 12.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 715 | A | 716 | LEU | 0 | 0.008 | 0.002 | 21.800 | 0.366 | 0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
| 716 | A | 717 | VAL | 0 | -0.015 | -0.012 | 22.080 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 717 | A | 718 | GLY | 0 | 0.061 | 0.031 | 25.186 | 0.371 | 0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
| 718 | A | 719 | LEU | 0 | 0.023 | 0.016 | 28.417 | 0.355 | 0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
| 719 | A | 720 | VAL | 0 | -0.023 | -0.002 | 26.105 | 0.348 | 0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
| 720 | A | 721 | HIS | 0 | -0.039 | -0.024 | 26.306 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 721 | A | 722 | PHE | 0 | 0.030 | 0.013 | 30.720 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
| 722 | A | 723 | THR | 0 | -0.010 | -0.026 | 32.172 | 0.383 | 0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
| 723 | A | 724 | VAL | 0 | -0.014 | -0.013 | 30.752 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 724 | A | 725 | GLY | 0 | 0.038 | 0.021 | 33.854 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 725 | A | 726 | TYR | 0 | -0.014 | -0.007 | 36.139 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
| 726 | A | 727 | ILE | 0 | -0.020 | -0.015 | 36.908 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
| 727 | A | 728 | ALA | 0 | -0.015 | 0.002 | 37.258 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 728 | A | 729 | THR | 0 | -0.015 | -0.022 | 39.187 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 729 | A | 730 | TYR | 0 | 0.014 | -0.010 | 41.860 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 730 | A | 731 | GLY | 0 | 0.021 | 0.014 | 42.352 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 731 | A | 732 | ALA | 0 | -0.007 | -0.004 | 43.123 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 732 | A | 733 | PHE | 0 | 0.001 | 0.002 | 44.814 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 733 | A | 734 | LEU | 0 | -0.011 | 0.029 | 47.001 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 734 | A | 735 | ILE | 0 | -0.002 | 0.011 | 46.122 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 735 | A | 736 | ALA | 0 | 0.004 | 0.008 | 48.831 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 736 | A | 737 | SER | 0 | -0.020 | -0.018 | 50.683 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 737 | A | 738 | THR | 0 | -0.053 | -0.042 | 51.904 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 738 | A | 739 | GLY | 0 | 0.052 | 0.020 | 52.859 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 739 | A | 740 | SER | 0 | -0.083 | -0.050 | 54.237 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 740 | A | 741 | ARG | 1 | 0.819 | 0.896 | 56.322 | 5.619 | 5.619 | 0.000 | 0.000 | 0.000 | 0.000 |
| 741 | A | 742 | PHE | 0 | -0.055 | -0.045 | 57.447 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 742 | A | 743 | PRO | -1 | -0.896 | -0.928 | 56.874 | -5.676 | -5.676 | 0.000 | 0.000 | 0.000 | 0.000 |