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: N2MLQ
Calculation Name: 5HQP-C-Xray540
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 5HQP
Chain ID: C
UniProt ID: Q9BS26
Base Structure: X-ray
Registration Date: 2025-07-10
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptH |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Structure Preparation |
| Water | No |
| Procedure | Auto-FMO protocol ver. 2.20220422 |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 620 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -4977302.681693 |
|---|---|
| FMO2-HF: Nuclear repulsion | 4844112.868486 |
| FMO2-HF: Total energy | -133189.813207 |
| FMO2-MP2: Total energy | -133574.84873 |
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(C:1:GLU)
Summations of interaction energy for
fragment #1(C:1:GLU)
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| -1.029 | 0.767 | 0.004 | -0.733 | -1.064 | 0.003 |
Interaction energy analysis for fragmet #1(C:1:GLU)
| frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 4 | C | 2 | ILE | 0 | -0.110 | 0.117 | 3.558 | -0.212 | 0.264 | 0.016 | -0.186 | -0.305 | 0.001 |
| 5 | C | 3 | THR | 0 | 0.023 | -0.089 | 3.816 | -1.678 | -0.724 | -0.009 | -0.485 | -0.459 | 0.002 |
| 6 | C | 3 | THR | 0 | -0.024 | 0.078 | 5.529 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | C | 4 | SER | 0 | 0.024 | -0.090 | 6.235 | 0.633 | 0.633 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | C | 4 | SER | 0 | -0.024 | 0.078 | 7.998 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | C | 5 | LEU | 0 | 0.057 | -0.106 | 9.090 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | C | 5 | LEU | 0 | -0.106 | 0.093 | 10.707 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | C | 6 | ASP | 0 | 0.029 | -0.112 | 12.130 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | C | 6 | ASP | -1 | -0.912 | -0.835 | 14.149 | -0.741 | -0.741 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | C | 7 | THR | 0 | 0.035 | -0.123 | 15.356 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | C | 7 | THR | 0 | -0.055 | 0.072 | 20.025 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | C | 8 | GLU | 0 | 0.066 | -0.075 | 17.335 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | C | 8 | GLU | -1 | -1.038 | -0.886 | 16.906 | -0.330 | -0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | C | 9 | ASN | 0 | 0.105 | -0.039 | 13.268 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | C | 9 | ASN | 0 | -0.068 | 0.058 | 10.878 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | C | 10 | ILE | 0 | 0.092 | -0.091 | 13.684 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | C | 10 | ILE | 0 | -0.155 | 0.074 | 14.569 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | C | 11 | ASP | 0 | 0.122 | -0.082 | 14.822 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | C | 11 | ASP | -1 | -0.956 | -0.849 | 18.690 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | C | 12 | GLU | 0 | 0.078 | -0.141 | 15.735 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | C | 12 | GLU | -1 | -0.890 | -0.783 | 14.025 | -0.261 | -0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | C | 13 | ILE | 0 | 0.087 | -0.084 | 11.261 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | C | 13 | ILE | 0 | -0.102 | 0.087 | 9.003 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | C | 14 | LEU | 0 | 0.062 | -0.106 | 12.169 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | C | 14 | LEU | 0 | -0.099 | 0.081 | 12.255 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | C | 15 | ASN | 0 | 0.122 | -0.062 | 14.025 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | C | 15 | ASN | 0 | -0.160 | 0.034 | 17.346 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | C | 16 | ASN | 0 | 0.073 | -0.105 | 14.553 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | C | 16 | ASN | 0 | -0.208 | 0.016 | 13.618 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | C | 17 | ALA | 0 | 0.094 | -0.075 | 12.049 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | C | 17 | ALA | 0 | -0.086 | 0.100 | 11.250 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | C | 18 | ASP | 0 | 0.134 | -0.089 | 12.992 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | C | 18 | ASP | -1 | -1.053 | -0.869 | 14.970 | 0.492 | 0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | C | 19 | VAL | 0 | 0.061 | -0.102 | 13.416 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | C | 19 | VAL | 0 | -0.110 | 0.072 | 13.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | C | 20 | ALA | 0 | 0.125 | -0.095 | 11.337 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | C | 20 | ALA | 0 | -0.051 | 0.123 | 11.927 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | C | 21 | LEU | 0 | 0.097 | -0.105 | 11.251 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | C | 21 | LEU | 0 | -0.150 | 0.101 | 11.498 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | C | 22 | VAL | 0 | 0.046 | -0.127 | 10.771 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | C | 22 | VAL | 0 | -0.063 | 0.149 | 11.413 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | C | 23 | ASN | 0 | 0.113 | -0.104 | 11.573 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | C | 23 | ASN | 0 | -0.098 | 0.069 | 11.355 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | C | 24 | PHE | 0 | 0.086 | -0.089 | 13.179 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | C | 24 | PHE | 0 | -0.104 | 0.086 | 16.795 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | C | 25 | TYR | 0 | 0.081 | -0.081 | 15.399 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | C | 25 | TYR | 0 | -0.037 | 0.097 | 12.284 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | C | 26 | ALA | 0 | 0.143 | -0.110 | 16.614 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | C | 26 | ALA | 0 | -0.047 | 0.131 | 20.440 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | C | 27 | ASP | 0 | 0.118 | -0.133 | 18.008 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | C | 27 | ASP | -1 | -0.941 | -0.802 | 15.791 | -0.515 | -0.515 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | C | 28 | TRP | 0 | 0.047 | -0.114 | 18.680 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | C | 28 | TRP | 0 | -0.101 | 0.090 | 22.823 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | C | 29 | CYS | 0 | 0.101 | -0.114 | 21.045 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | C | 29 | CYS | 0 | -0.194 | 0.097 | 20.955 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | C | 30 | ARG | 0 | 0.113 | -0.066 | 20.025 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | C | 30 | ARG | 1 | 0.857 | 1.058 | 21.376 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | C | 31 | PHE | 0 | 0.131 | -0.089 | 19.563 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | C | 31 | PHE | 0 | -0.088 | 0.068 | 20.597 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | C | 32 | SER | 0 | 0.044 | -0.103 | 16.719 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | C | 32 | SER | 0 | -0.030 | 0.109 | 16.445 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | C | 33 | GLN | 0 | 0.141 | -0.067 | 15.207 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | C | 33 | GLN | 0 | -0.091 | 0.095 | 16.323 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | C | 34 | MET | 0 | 0.050 | -0.110 | 15.145 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | C | 34 | MET | 0 | -0.146 | 0.058 | 18.378 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | C | 35 | LEU | 0 | 0.099 | -0.068 | 14.637 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | C | 35 | LEU | 0 | -0.118 | 0.080 | 12.947 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | C | 36 | HIS | 0 | 0.026 | -0.110 | 10.908 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | C | 36 | HIS | 0 | -0.094 | 0.089 | 10.789 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | C | 37 | PRO | 0 | 0.066 | -0.078 | 9.575 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | C | 38 | ILE | 0 | 0.182 | 0.033 | 9.922 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | C | 38 | ILE | 0 | -0.164 | 0.073 | 13.159 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | C | 39 | PHE | 0 | 0.080 | -0.079 | 9.580 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | C | 39 | PHE | 0 | -0.147 | 0.056 | 8.001 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | C | 40 | GLU | 0 | 0.041 | -0.127 | 5.619 | 0.436 | 0.436 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | C | 40 | GLU | -1 | -0.962 | -0.825 | 5.579 | -0.849 | -0.849 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | C | 41 | GLU | 0 | 0.189 | -0.065 | 5.994 | 0.782 | 0.782 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | C | 41 | GLU | -1 | -1.026 | -0.876 | 9.932 | 0.479 | 0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | C | 42 | ALA | 0 | 0.061 | -0.104 | 8.561 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | C | 42 | ALA | 0 | -0.103 | 0.068 | 10.066 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | C | 43 | SER | 0 | 0.019 | -0.099 | 5.513 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | C | 43 | SER | 0 | -0.027 | 0.071 | 3.952 | -0.364 | -0.315 | -0.001 | -0.018 | -0.029 | 0.000 |
| 86 | C | 44 | ASP | 0 | 0.121 | -0.101 | 5.987 | 1.236 | 1.236 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | C | 44 | ASP | -1 | -1.028 | -0.847 | 4.363 | 3.476 | 3.668 | -0.001 | -0.018 | -0.173 | 0.000 |
| 88 | C | 45 | VAL | 0 | 0.047 | -0.102 | 6.602 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | C | 45 | VAL | 0 | -0.128 | 0.057 | 10.482 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | C | 46 | ILE | 0 | 0.090 | -0.065 | 9.413 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | C | 46 | ILE | 0 | -0.118 | 0.072 | 9.519 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | C | 47 | LYS | 0 | 0.095 | -0.118 | 6.436 | -0.647 | -0.647 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | C | 47 | LYS | 1 | 0.858 | 1.084 | 4.553 | -4.806 | -4.681 | -0.001 | -0.026 | -0.098 | 0.000 |
| 94 | C | 48 | GLU | 0 | 0.051 | -0.117 | 7.860 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | C | 48 | GLU | -1 | -1.001 | -0.868 | 10.180 | 1.141 | 1.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | C | 49 | GLU | 0 | 0.012 | -0.108 | 10.484 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | C | 49 | GLU | -1 | -0.911 | -0.785 | 13.349 | 0.860 | 0.860 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | C | 50 | PHE | 0 | 0.068 | -0.069 | 11.673 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | C | 50 | PHE | 0 | -0.154 | 0.040 | 10.718 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | C | 51 | PRO | 0 | 0.006 | -0.086 | 8.296 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | C | 52 | ASN | 0 | 0.067 | 0.003 | 10.344 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | C | 52 | ASN | 0 | -0.101 | 0.059 | 13.965 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | C | 53 | GLU | 0 | 0.037 | -0.170 | 8.432 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | C | 53 | GLU | -1 | -0.969 | -0.826 | 8.756 | 0.557 | 0.557 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | C | 54 | ASN | 0 | 0.040 | -0.111 | 8.683 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | C | 54 | ASN | 0 | -0.047 | 0.116 | 11.916 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | C | 55 | GLN | 0 | 0.110 | -0.065 | 11.215 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | C | 55 | GLN | 0 | -0.113 | 0.073 | 12.095 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | C | 56 | VAL | 0 | 0.083 | -0.101 | 10.383 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | C | 56 | VAL | 0 | -0.052 | 0.097 | 9.730 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | C | 57 | VAL | 0 | 0.028 | -0.136 | 7.242 | 0.780 | 0.780 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | C | 57 | VAL | 0 | -0.029 | 0.150 | 6.687 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | C | 58 | PHE | 0 | 0.062 | -0.117 | 6.472 | -0.513 | -0.513 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | C | 58 | PHE | 0 | -0.039 | 0.126 | 5.945 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | C | 59 | ALA | 0 | 0.091 | -0.086 | 6.144 | -0.380 | -0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | C | 59 | ALA | 0 | -0.053 | 0.093 | 8.929 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | C | 60 | ARG | 0 | 0.040 | -0.095 | 8.405 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | C | 60 | ARG | 1 | 0.806 | 1.022 | 6.660 | 1.475 | 1.475 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | C | 61 | VAL | 0 | 0.089 | -0.115 | 10.514 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | C | 61 | VAL | 0 | -0.033 | 0.127 | 13.630 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | C | 62 | ASP | 0 | 0.115 | -0.097 | 13.856 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | C | 62 | ASP | -1 | -0.965 | -0.838 | 14.511 | -0.521 | -0.521 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | C | 63 | CYS | 0 | 0.108 | -0.109 | 15.756 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | C | 63 | CYS | 0 | -0.125 | 0.083 | 17.885 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | C | 64 | ASP | 0 | 0.127 | -0.074 | 19.292 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | C | 64 | ASP | -1 | -1.008 | -0.852 | 19.668 | -0.285 | -0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | C | 65 | GLN | 0 | 0.041 | -0.095 | 17.987 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | C | 65 | GLN | 0 | -0.154 | 0.066 | 16.918 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | C | 66 | HIS | 0 | 0.103 | -0.077 | 18.595 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | C | 66 | HIS | 0 | -0.147 | 0.073 | 15.153 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | C | 67 | SER | 0 | 0.079 | -0.075 | 19.760 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | C | 67 | SER | 0 | -0.032 | 0.068 | 23.839 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | C | 68 | ASP | 0 | 0.031 | -0.118 | 22.856 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | C | 68 | ASP | -1 | -0.852 | -0.799 | 21.831 | -0.291 | -0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | C | 69 | ILE | 0 | 0.084 | -0.111 | 19.044 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | C | 69 | ILE | 0 | -0.049 | 0.122 | 16.828 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | C | 70 | ALA | 0 | 0.096 | -0.099 | 20.522 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | C | 70 | ALA | 0 | -0.088 | 0.102 | 20.902 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | C | 71 | GLN | 0 | 0.086 | -0.135 | 21.459 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | C | 71 | GLN | 0 | -0.104 | 0.114 | 25.791 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | C | 72 | ARG | 0 | 0.094 | -0.081 | 23.281 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | C | 72 | ARG | 1 | 0.765 | 1.036 | 19.976 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | C | 73 | TYR | 0 | -0.004 | -0.115 | 21.317 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | C | 73 | TYR | 0 | -0.035 | 0.082 | 18.272 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | C | 74 | ARG | 0 | 0.027 | -0.105 | 22.810 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | C | 74 | ARG | 1 | 0.848 | 1.069 | 25.898 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | C | 75 | ILE | 0 | 0.122 | -0.120 | 21.823 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | C | 75 | ILE | 0 | -0.107 | 0.115 | 19.734 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | C | 76 | SER | 0 | 0.046 | -0.077 | 23.199 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | C | 76 | SER | 0 | -0.020 | 0.077 | 26.865 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | C | 77 | LYS | 0 | 0.025 | -0.100 | 23.661 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | C | 77 | LYS | 1 | 0.801 | 1.020 | 22.904 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | C | 78 | TYR | 0 | 0.028 | -0.115 | 20.296 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | C | 78 | TYR | 0 | -0.059 | 0.124 | 19.713 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | C | 79 | PRO | 0 | -0.022 | -0.117 | 16.747 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | C | 80 | THR | 0 | -0.063 | -0.032 | 17.998 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | C | 80 | THR | 0 | -0.004 | 0.080 | 18.606 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | C | 81 | LEU | 0 | 0.150 | -0.059 | 15.725 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | C | 81 | LEU | 0 | -0.111 | 0.102 | 13.816 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | C | 82 | LYS | 0 | 0.057 | -0.120 | 15.875 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | C | 82 | LYS | 1 | 0.863 | 1.078 | 17.178 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | C | 83 | LEU | 0 | 0.162 | -0.064 | 15.596 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | C | 83 | LEU | 0 | -0.124 | 0.085 | 15.272 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | C | 84 | PHE | 0 | 0.062 | -0.109 | 15.792 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | C | 84 | PHE | 0 | -0.056 | 0.112 | 15.344 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | C | 85 | ARG | 0 | 0.128 | -0.013 | 15.899 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | C | 85 | ARG | 1 | 0.719 | 0.964 | 18.841 | -0.352 | -0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | C | 86 | ASN | 0 | 0.142 | -0.058 | 16.378 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | C | 86 | ASN | 0 | -0.198 | 0.047 | 17.431 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | C | 87 | GLY | 0 | 0.099 | -0.059 | 17.580 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | C | 88 | MET | 0 | 0.106 | -0.005 | 18.397 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | C | 88 | MET | 0 | -0.126 | 0.093 | 21.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | C | 89 | MET | 0 | 0.086 | -0.124 | 19.954 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | C | 89 | MET | 0 | -0.146 | 0.129 | 19.679 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | C | 90 | MET | 0 | 0.008 | -0.172 | 20.464 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | C | 90 | MET | 0 | -0.101 | 0.137 | 20.239 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | C | 91 | LYS | 0 | 0.058 | -0.127 | 22.404 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | C | 91 | LYS | 1 | 0.932 | 1.112 | 26.252 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | C | 92 | ARG | 0 | 0.123 | -0.085 | 24.006 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | C | 92 | ARG | 1 | 0.768 | 1.043 | 24.056 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | C | 93 | GLU | 0 | 0.055 | -0.128 | 20.762 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | C | 93 | GLU | -1 | -0.859 | -0.786 | 21.030 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | C | 94 | TYR | 0 | 0.111 | -0.090 | 18.330 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | C | 94 | TYR | 0 | -0.194 | -0.003 | 17.863 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | C | 95 | ARG | 0 | 0.045 | -0.120 | 19.801 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | C | 95 | ARG | 1 | 0.904 | 1.104 | 23.900 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | C | 96 | GLY | 0 | -0.053 | -0.126 | 20.881 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | C | 97 | GLN | 0 | 0.207 | 0.051 | 20.842 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | C | 97 | GLN | 0 | -0.092 | 0.087 | 20.366 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | C | 98 | ARG | 0 | 0.063 | -0.032 | 17.282 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | C | 98 | ARG | 1 | 0.914 | 1.095 | 16.891 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | C | 99 | SER | 0 | 0.051 | -0.079 | 16.624 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | C | 99 | SER | 0 | -0.033 | 0.062 | 18.165 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | C | 100 | VAL | 0 | 0.131 | -0.099 | 13.420 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | C | 100 | VAL | 0 | -0.040 | 0.179 | 11.846 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | C | 101 | LYS | 0 | 0.141 | -0.073 | 14.247 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | C | 101 | LYS | 1 | 0.787 | 1.010 | 18.088 | -0.407 | -0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | C | 102 | ALA | 0 | 0.081 | -0.089 | 16.951 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | C | 102 | ALA | 0 | -0.084 | 0.080 | 18.165 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | C | 103 | LEU | 0 | 0.054 | -0.116 | 13.922 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | C | 103 | LEU | 0 | -0.046 | 0.121 | 12.408 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | C | 104 | ALA | 0 | 0.168 | -0.069 | 13.752 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | C | 104 | ALA | 0 | -0.059 | 0.106 | 13.730 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | C | 105 | ASP | 0 | 0.050 | -0.134 | 14.611 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | C | 105 | ASP | -1 | -0.920 | -0.813 | 19.235 | 0.462 | 0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | C | 106 | TYR | 0 | 0.054 | -0.079 | 17.392 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | C | 106 | TYR | 0 | -0.100 | 0.075 | 15.823 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | C | 107 | ILE | 0 | 0.058 | -0.132 | 14.129 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | C | 107 | ILE | 0 | -0.037 | 0.140 | 12.305 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | C | 108 | ARG | 0 | 0.106 | -0.108 | 15.636 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | C | 108 | ARG | 1 | 0.680 | 0.979 | 16.083 | -0.755 | -0.755 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | C | 109 | GLN | 0 | 0.129 | -0.071 | 17.736 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | C | 109 | GLN | 0 | -0.176 | 0.056 | 20.473 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | C | 110 | GLN | 0 | 0.057 | -0.104 | 19.059 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | C | 110 | GLN | 0 | -0.070 | 0.106 | 18.042 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | C | 111 | LYS | 0 | 0.052 | -0.104 | 17.384 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | C | 111 | LYS | 1 | 0.835 | 1.064 | 14.719 | -0.709 | -0.709 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | C | 112 | SER | 0 | -0.020 | -0.085 | 18.615 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | C | 112 | SER | 0 | -0.048 | 0.053 | 22.061 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | C | 113 | ASP | 0 | 0.122 | -0.099 | 22.055 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | C | 113 | ASP | -1 | -0.865 | -0.753 | 25.110 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | C | 114 | PRO | 0 | -0.108 | -0.132 | 24.649 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | C | 115 | ILE | 0 | 0.076 | 0.007 | 27.471 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | C | 115 | ILE | 0 | -0.107 | 0.099 | 28.732 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | C | 116 | GLN | 0 | 0.029 | -0.117 | 30.383 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | C | 116 | GLN | 0 | -0.094 | 0.085 | 30.603 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | C | 117 | GLU | 0 | 0.171 | -0.087 | 33.089 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | C | 117 | GLU | -1 | -1.033 | -0.860 | 33.853 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | C | 118 | ILE | 0 | -0.029 | -0.119 | 35.251 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | C | 118 | ILE | 0 | -0.048 | 0.106 | 38.210 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | C | 119 | ARG | 0 | 0.100 | -0.111 | 39.064 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | C | 119 | ARG | 1 | 0.805 | 1.053 | 37.389 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | C | 120 | ASP | 0 | 0.120 | -0.065 | 42.147 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | C | 120 | ASP | -1 | -1.037 | -0.908 | 44.503 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | C | 121 | LEU | 0 | 0.191 | -0.090 | 43.447 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | C | 121 | LEU | 0 | -0.147 | 0.128 | 45.580 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | C | 122 | ALA | 0 | 0.106 | -0.072 | 44.384 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | C | 122 | ALA | 0 | -0.138 | 0.053 | 43.401 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | C | 123 | GLU | 0 | 0.161 | -0.097 | 43.582 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | C | 123 | GLU | -1 | -0.793 | -0.716 | 42.603 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | C | 124 | ILE | 0 | 0.069 | -0.086 | 44.243 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | C | 124 | ILE | 0 | -0.056 | 0.088 | 41.908 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | C | 125 | THR | 0 | 0.005 | -0.097 | 44.972 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | C | 125 | THR | 0 | -0.374 | -0.087 | 47.082 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | C | 126 | THR | 0 | 0.093 | -0.070 | 46.661 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | C | 126 | THR | 0 | -0.110 | 0.047 | 46.881 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | C | 127 | LEU | 0 | 0.067 | -0.113 | 42.654 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | C | 127 | LEU | 0 | -0.032 | 0.134 | 41.072 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | C | 128 | ASP | 0 | 0.082 | -0.083 | 43.518 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | C | 128 | ASP | -1 | -1.007 | -0.869 | 44.507 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | C | 129 | ARG | 0 | 0.140 | -0.028 | 45.151 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | C | 129 | ARG | 1 | 0.804 | 1.006 | 46.504 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | C | 130 | SER | 0 | -0.050 | -0.081 | 42.767 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | C | 130 | SER | 0 | -0.045 | 0.023 | 41.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | C | 131 | LYS | 0 | 0.151 | -0.069 | 38.747 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | C | 131 | LYS | 1 | 0.705 | 0.983 | 34.942 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | C | 132 | ARG | 0 | 0.078 | -0.102 | 38.591 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | C | 132 | ARG | 1 | 0.857 | 1.052 | 36.860 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | C | 133 | ASN | 0 | 0.073 | -0.089 | 37.808 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | C | 133 | ASN | 0 | -0.052 | 0.094 | 39.227 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | C | 134 | ILE | 0 | 0.087 | -0.088 | 36.642 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | C | 134 | ILE | 0 | -0.108 | 0.088 | 34.721 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | C | 135 | ILE | 0 | 0.030 | -0.141 | 36.325 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | C | 135 | ILE | 0 | -0.096 | 0.189 | 37.166 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | C | 136 | GLY | 0 | 0.029 | -0.123 | 35.654 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | C | 137 | TYR | 0 | 0.060 | -0.032 | 36.652 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | C | 137 | TYR | 0 | -0.071 | 0.124 | 40.374 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | C | 138 | PHE | 0 | 0.125 | -0.068 | 35.721 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | C | 138 | PHE | 0 | -0.093 | 0.078 | 33.619 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | C | 139 | GLU | 0 | 0.090 | -0.109 | 37.259 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | C | 139 | GLU | -1 | -0.882 | -0.786 | 39.324 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | C | 140 | GLN | 0 | 0.011 | -0.143 | 35.529 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | C | 140 | GLN | 0 | -0.116 | 0.079 | 34.121 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | C | 141 | LYS | 0 | 0.025 | -0.147 | 31.894 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | C | 141 | LYS | 1 | 0.857 | 1.105 | 30.997 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | C | 142 | ASP | 0 | 0.117 | -0.110 | 29.516 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | C | 142 | ASP | -1 | -0.966 | -0.790 | 29.437 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | C | 143 | SER | 0 | 0.039 | -0.097 | 30.030 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | C | 143 | SER | 0 | -0.020 | 0.084 | 32.760 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | C | 144 | ASP | 0 | 0.091 | -0.111 | 29.002 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | C | 144 | ASP | -1 | -0.929 | -0.824 | 29.153 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | C | 145 | ASN | 0 | 0.075 | -0.070 | 29.670 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | C | 145 | ASN | 0 | -0.079 | 0.045 | 33.704 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | C | 146 | TYR | 0 | 0.125 | -0.109 | 30.598 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | C | 146 | TYR | 0 | -0.119 | 0.075 | 27.643 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | C | 147 | ARG | 0 | 0.146 | -0.057 | 26.233 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | C | 147 | ARG | 1 | 0.742 | 1.005 | 25.141 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | C | 148 | VAL | 0 | 0.054 | -0.114 | 26.170 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | C | 148 | VAL | 0 | -0.113 | 0.106 | 28.241 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | C | 149 | PHE | 0 | 0.093 | -0.107 | 27.886 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | C | 149 | PHE | 0 | -0.067 | 0.095 | 30.669 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | C | 150 | GLU | 0 | 0.087 | -0.123 | 26.208 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | C | 150 | GLU | -1 | -0.990 | -0.821 | 24.085 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | C | 151 | ARG | 0 | 0.060 | -0.075 | 23.776 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | C | 151 | ARG | 1 | 0.832 | 1.027 | 21.970 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | C | 152 | VAL | 0 | 0.075 | -0.103 | 24.714 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | C | 152 | VAL | 0 | -0.096 | 0.093 | 28.395 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | C | 153 | ALA | 0 | 0.092 | -0.106 | 27.700 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | C | 153 | ALA | 0 | -0.026 | 0.123 | 27.368 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | C | 154 | ASN | 0 | 0.079 | -0.089 | 23.096 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | C | 154 | ASN | 0 | -0.088 | 0.068 | 22.066 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | C | 155 | ILE | 0 | 0.028 | -0.097 | 24.198 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | C | 155 | ILE | 0 | -0.142 | 0.053 | 23.178 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | C | 156 | LEU | 0 | 0.055 | -0.119 | 25.080 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | C | 156 | LEU | 0 | -0.078 | 0.102 | 28.690 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | C | 157 | HIS | 0 | 0.075 | -0.074 | 27.570 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | C | 157 | HIS | 1 | 0.845 | 1.036 | 24.151 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | C | 158 | ASP | 0 | 0.010 | -0.118 | 28.824 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | C | 158 | ASP | -1 | -0.908 | -0.801 | 27.145 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | C | 159 | ASP | 0 | 0.150 | -0.087 | 30.038 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | C | 159 | ASP | -1 | -0.977 | -0.823 | 31.043 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | C | 160 | CYS | 0 | -0.085 | -0.204 | 32.463 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | C | 160 | CYS | 0 | -0.092 | 0.139 | 33.663 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | C | 161 | ALA | 0 | 0.148 | -0.077 | 32.651 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | C | 161 | ALA | 0 | -0.066 | 0.128 | 35.537 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | C | 162 | PHE | 0 | 0.065 | -0.104 | 31.979 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | C | 162 | PHE | 0 | -0.034 | 0.117 | 31.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | C | 163 | LEU | 0 | 0.122 | -0.073 | 33.220 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | C | 163 | LEU | 0 | -0.120 | 0.070 | 35.448 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | C | 164 | SER | 0 | 0.099 | -0.095 | 34.434 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | C | 164 | SER | 0 | -0.033 | 0.073 | 33.287 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | C | 165 | ALA | 0 | 0.105 | -0.076 | 35.677 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | C | 165 | ALA | 0 | -0.087 | 0.079 | 39.821 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | C | 166 | PHE | 0 | -0.048 | -0.144 | 37.992 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | C | 166 | PHE | 0 | -0.117 | 0.076 | 39.357 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | C | 167 | GLY | 0 | 0.080 | -0.079 | 40.585 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | C | 168 | ASP | 0 | 0.011 | -0.024 | 43.058 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | C | 168 | ASP | -1 | -0.992 | -0.850 | 43.538 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | C | 169 | VAL | 0 | -0.036 | -0.117 | 43.302 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | C | 169 | VAL | 0 | -0.007 | 0.003 | 45.380 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | C | 178 | ASP | 0 | 0.160 | 0.040 | 38.311 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | C | 178 | ASP | -1 | -1.007 | -0.871 | 37.497 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | C | 179 | ASN | 0 | 0.060 | -0.092 | 39.410 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | C | 179 | ASN | 0 | -0.058 | 0.076 | 41.404 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | C | 180 | ILE | 0 | 0.088 | -0.080 | 37.073 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | C | 180 | ILE | 0 | -0.073 | 0.117 | 35.121 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | C | 181 | ILE | 0 | 0.021 | -0.127 | 38.515 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | C | 181 | ILE | 0 | -0.050 | 0.124 | 41.021 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | C | 182 | TYR | 0 | 0.159 | -0.086 | 39.566 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | C | 182 | TYR | 0 | -0.078 | 0.089 | 38.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | C | 183 | LYS | 0 | 0.090 | -0.146 | 40.838 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | C | 183 | LYS | 1 | 0.791 | 1.120 | 42.748 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | C | 184 | PRO | 0 | -0.015 | -0.110 | 41.803 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | C | 185 | PRO | 0 | 0.026 | 0.010 | 41.759 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | C | 186 | GLY | 0 | -0.026 | -0.022 | 44.363 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | C | 187 | HIS | 0 | 0.117 | -0.015 | 47.720 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | C | 187 | HIS | 0 | -0.052 | 0.147 | 50.321 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | C | 188 | SER | 0 | -0.018 | -0.074 | 50.082 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | C | 188 | SER | 0 | -0.070 | 0.029 | 50.713 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | C | 189 | ALA | 0 | 0.107 | -0.116 | 48.624 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | C | 189 | ALA | 0 | -0.071 | 0.126 | 47.841 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | C | 190 | PRO | 0 | -0.070 | -0.122 | 48.268 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | C | 191 | ASP | 0 | 0.097 | -0.021 | 45.240 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | C | 191 | ASP | -1 | -0.901 | -0.778 | 44.672 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | C | 192 | MET | 0 | -0.030 | -0.150 | 44.307 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | C | 192 | MET | 0 | -0.116 | 0.094 | 43.235 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | C | 193 | VAL | 0 | 0.153 | -0.105 | 42.709 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | C | 193 | VAL | 0 | -0.039 | 0.136 | 42.831 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | C | 194 | TYR | 0 | 0.089 | -0.112 | 39.279 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | C | 194 | TYR | 0 | -0.088 | 0.086 | 35.443 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | C | 195 | LEU | 0 | -0.019 | -0.154 | 40.771 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | C | 195 | LEU | 0 | -0.064 | 0.121 | 43.403 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | C | 196 | GLY | 0 | 0.015 | -0.095 | 38.575 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | C | 197 | ALA | 0 | 0.151 | 0.010 | 36.711 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | C | 197 | ALA | 0 | -0.096 | 0.104 | 36.088 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | C | 198 | MET | 0 | 0.045 | -0.118 | 34.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | C | 198 | MET | 0 | -0.090 | 0.131 | 34.367 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | C | 199 | THR | 0 | 0.066 | -0.070 | 31.638 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | C | 199 | THR | 0 | -0.038 | 0.080 | 32.133 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | C | 200 | ASN | 0 | 0.137 | -0.063 | 30.830 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | C | 200 | ASN | 0 | -0.094 | 0.091 | 32.273 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | C | 201 | PHE | 0 | 0.193 | -0.051 | 27.661 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | C | 201 | PHE | 0 | -0.074 | 0.111 | 25.401 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | C | 202 | ASP | 0 | 0.139 | -0.105 | 29.187 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | C | 202 | ASP | -1 | -0.989 | -0.821 | 28.142 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | C | 203 | VAL | 0 | 0.019 | -0.129 | 30.399 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | C | 203 | VAL | 0 | -0.092 | 0.108 | 34.029 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | C | 204 | THR | 0 | 0.042 | -0.091 | 32.641 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | C | 204 | THR | 0 | -0.042 | 0.058 | 31.560 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | C | 205 | TYR | 0 | 0.115 | -0.103 | 29.629 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | C | 205 | TYR | 0 | -0.061 | 0.107 | 28.207 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | C | 206 | ASN | 0 | 0.106 | -0.028 | 31.064 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | C | 206 | ASN | 0 | -0.141 | 0.053 | 32.588 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | C | 207 | TRP | 0 | 0.104 | -0.075 | 33.626 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | C | 207 | TRP | 0 | -0.093 | 0.103 | 36.067 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | C | 208 | ILE | 0 | 0.146 | -0.074 | 34.002 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | C | 208 | ILE | 0 | -0.082 | 0.106 | 32.750 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | C | 209 | GLN | 0 | 0.116 | -0.129 | 32.663 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | C | 209 | GLN | 0 | -0.072 | 0.127 | 31.006 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | C | 210 | ASP | 0 | 0.093 | -0.093 | 33.451 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | C | 210 | ASP | -1 | -0.953 | -0.827 | 37.585 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | C | 211 | LYS | 0 | 0.002 | -0.120 | 37.108 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | C | 211 | LYS | 1 | 0.697 | 0.944 | 37.916 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | C | 212 | CYS | 0 | 0.047 | -0.112 | 34.358 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | C | 212 | CYS | 0 | -0.158 | 0.075 | 33.840 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | C | 213 | VAL | 0 | 0.083 | -0.119 | 34.070 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | C | 213 | VAL | 0 | -0.091 | 0.134 | 32.639 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | C | 214 | PRO | 0 | -0.040 | -0.136 | 35.459 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | C | 215 | LEU | 0 | 0.156 | 0.028 | 37.356 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | C | 215 | LEU | 0 | -0.125 | 0.107 | 37.885 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | C | 216 | VAL | 0 | 0.077 | -0.086 | 38.443 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | C | 216 | VAL | 0 | -0.062 | 0.098 | 40.759 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | C | 217 | ARG | 0 | -0.042 | -0.132 | 40.413 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | C | 217 | ARG | 1 | 0.901 | 1.072 | 39.530 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | C | 218 | GLU | 0 | 0.144 | -0.117 | 41.374 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | C | 218 | GLU | -1 | -1.029 | -0.841 | 43.642 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | C | 219 | ILE | 0 | 0.100 | -0.103 | 40.866 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | C | 219 | ILE | 0 | -0.140 | 0.135 | 39.165 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | C | 220 | THR | 0 | 0.048 | -0.141 | 41.509 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | C | 220 | THR | 0 | -0.138 | 0.047 | 42.609 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | C | 221 | PHE | 0 | 0.160 | -0.039 | 41.268 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | C | 221 | PHE | 0 | -0.129 | 0.045 | 41.196 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | C | 222 | GLU | 0 | 0.049 | -0.062 | 40.976 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | C | 222 | GLU | -1 | -0.890 | -0.849 | 40.697 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | C | 223 | ASN | 0 | 0.045 | -0.083 | 37.613 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | C | 223 | ASN | 0 | -0.038 | 0.075 | 37.442 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | C | 224 | GLY | 0 | 0.035 | -0.119 | 36.976 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | C | 225 | GLU | 0 | 0.093 | 0.013 | 35.410 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | C | 225 | GLU | -1 | -0.966 | -0.845 | 34.585 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | C | 226 | GLU | 0 | 0.140 | -0.035 | 32.333 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | C | 226 | GLU | -1 | -0.998 | -0.886 | 31.632 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | C | 227 | LEU | 0 | 0.137 | -0.095 | 31.954 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | C | 227 | LEU | 0 | -0.164 | 0.074 | 34.227 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | C | 228 | THR | 0 | -0.001 | -0.102 | 33.399 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | C | 228 | THR | 0 | -0.106 | 0.000 | 33.875 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | C | 229 | GLU | 0 | 0.009 | -0.122 | 29.712 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | C | 229 | GLU | -1 | -1.085 | -0.873 | 28.737 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | C | 230 | GLU | 0 | 0.099 | -0.150 | 28.179 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | C | 230 | GLU | -1 | -0.958 | -0.786 | 30.127 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | C | 231 | GLY | 0 | -0.095 | -0.126 | 28.202 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | C | 232 | LEU | 0 | -0.001 | -0.075 | 29.286 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | C | 232 | LEU | 0 | -0.075 | 0.138 | 29.053 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | C | 233 | PRO | 0 | -0.029 | -0.115 | 31.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | C | 234 | PHE | 0 | 0.123 | -0.010 | 35.127 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | C | 234 | PHE | 0 | -0.049 | 0.119 | 35.088 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | C | 235 | LEU | 0 | 0.111 | -0.075 | 37.930 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | C | 235 | LEU | 0 | -0.121 | 0.086 | 40.307 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | C | 236 | ILE | 0 | 0.056 | -0.149 | 40.861 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | C | 236 | ILE | 0 | -0.109 | 0.139 | 40.532 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | C | 237 | LEU | 0 | 0.136 | -0.111 | 43.541 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | C | 237 | LEU | 0 | -0.122 | 0.129 | 46.718 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | C | 238 | PHE | 0 | 0.083 | -0.099 | 46.958 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | C | 238 | PHE | 0 | -0.067 | 0.098 | 45.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | C | 239 | HIS | 0 | 0.141 | -0.100 | 49.049 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | C | 239 | HIS | 1 | 0.772 | 1.027 | 48.430 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | C | 240 | MET | 0 | 0.106 | -0.089 | 51.759 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | C | 240 | MET | 0 | -0.073 | 0.107 | 55.814 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | C | 241 | LYS | 0 | 0.086 | -0.098 | 52.855 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | C | 241 | LYS | 1 | 0.776 | 1.027 | 52.497 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | C | 242 | GLU | 0 | 0.015 | -0.141 | 53.717 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | C | 242 | GLU | -1 | -0.942 | -0.845 | 57.771 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | C | 243 | ASP | 0 | 0.068 | -0.096 | 55.711 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | C | 243 | ASP | -1 | -0.931 | -0.799 | 55.324 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | C | 244 | THR | 0 | 0.038 | -0.128 | 53.176 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | C | 244 | THR | 0 | -0.026 | 0.094 | 53.547 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | C | 245 | GLU | 0 | 0.151 | -0.087 | 53.129 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | C | 245 | GLU | -1 | -1.029 | -0.829 | 56.066 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | C | 246 | SER | 0 | 0.056 | -0.120 | 53.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | C | 246 | SER | 0 | -0.052 | 0.059 | 52.583 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | C | 247 | LEU | 0 | 0.117 | -0.103 | 49.355 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | C | 247 | LEU | 0 | -0.135 | 0.104 | 46.763 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | C | 248 | GLU | 0 | 0.086 | -0.133 | 48.469 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | C | 248 | GLU | -1 | -0.984 | -0.812 | 50.802 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | C | 249 | ILE | 0 | 0.023 | -0.126 | 49.669 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | C | 249 | ILE | 0 | -0.079 | 0.103 | 51.075 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | C | 250 | PHE | 0 | 0.115 | -0.070 | 47.646 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | C | 250 | PHE | 0 | -0.095 | 0.086 | 43.307 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | C | 251 | GLN | 0 | 0.061 | -0.108 | 44.762 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | C | 251 | GLN | 0 | -0.092 | 0.075 | 44.631 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | C | 252 | ASN | 0 | 0.120 | -0.063 | 44.842 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | C | 252 | ASN | 0 | -0.144 | 0.055 | 48.712 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | C | 253 | GLU | 0 | 0.101 | -0.114 | 46.279 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | C | 253 | GLU | -1 | -0.921 | -0.784 | 47.244 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | C | 254 | VAL | 0 | 0.014 | -0.150 | 42.581 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | C | 254 | VAL | 0 | -0.049 | 0.115 | 41.599 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | C | 255 | ALA | 0 | 0.089 | -0.103 | 41.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | C | 255 | ALA | 0 | -0.063 | 0.107 | 43.073 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | C | 256 | ARG | 0 | -0.031 | -0.118 | 42.329 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | C | 256 | ARG | 1 | 0.811 | 1.036 | 46.069 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | C | 257 | GLN | 0 | 0.076 | -0.083 | 43.254 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | C | 257 | GLN | 0 | -0.148 | 0.039 | 43.851 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | C | 258 | LEU | 0 | 0.065 | -0.115 | 39.590 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | C | 258 | LEU | 0 | -0.081 | 0.126 | 39.160 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | C | 259 | ILE | 0 | 0.156 | -0.091 | 37.781 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | C | 259 | ILE | 0 | -0.067 | 0.138 | 37.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | C | 260 | SER | 0 | 0.008 | -0.118 | 34.936 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | C | 260 | SER | 0 | -0.053 | 0.073 | 34.866 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | C | 261 | GLU | 0 | 0.019 | -0.120 | 33.458 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | C | 261 | GLU | -1 | -0.942 | -0.846 | 34.700 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | C | 262 | LYS | 0 | 0.087 | -0.116 | 34.087 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | C | 262 | LYS | 1 | 0.761 | 1.012 | 32.841 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | C | 263 | GLY | 0 | -0.052 | -0.132 | 29.921 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | C | 264 | THR | 0 | 0.065 | 0.027 | 29.776 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | C | 264 | THR | 0 | -0.103 | 0.059 | 30.396 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | C | 265 | ILE | 0 | -0.017 | -0.109 | 31.179 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | C | 265 | ILE | 0 | -0.042 | 0.108 | 34.235 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | C | 266 | ASN | 0 | 0.160 | -0.055 | 34.462 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | C | 266 | ASN | 0 | -0.118 | 0.090 | 33.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | C | 267 | PHE | 0 | 0.052 | -0.125 | 35.691 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | C | 267 | PHE | 0 | -0.105 | 0.076 | 36.811 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | C | 268 | LEU | 0 | 0.044 | -0.110 | 39.299 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | C | 268 | LEU | 0 | -0.048 | 0.119 | 37.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | C | 269 | HIS | 0 | 0.102 | -0.051 | 41.342 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | C | 269 | HIS | 0 | -0.058 | 0.078 | 44.317 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | C | 270 | ALA | 0 | 0.100 | -0.091 | 44.531 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | C | 270 | ALA | 0 | -0.038 | 0.090 | 45.059 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | C | 271 | ASP | 0 | 0.155 | -0.090 | 46.463 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | C | 271 | ASP | -1 | -0.908 | -0.803 | 49.251 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | C | 272 | CYS | 0 | 0.115 | -0.107 | 49.627 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | C | 272 | CYS | 0 | -0.337 | 0.185 | 52.392 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | C | 273 | ASP | 0 | 0.075 | -0.121 | 51.745 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | C | 273 | ASP | -1 | -0.872 | -0.802 | 52.880 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | C | 274 | LYS | 0 | -0.048 | -0.155 | 49.671 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | C | 274 | LYS | 1 | 0.917 | 1.080 | 48.764 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | C | 275 | PHE | 0 | -0.006 | -0.107 | 47.665 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | C | 275 | PHE | 0 | -0.036 | 0.187 | 43.474 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | C | 276 | ARG | 0 | 0.248 | -0.035 | 48.608 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | C | 276 | ARG | 1 | 0.746 | 1.021 | 52.510 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | C | 277 | HIS | 0 | 0.101 | -0.084 | 49.356 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | C | 277 | HIS | 0 | -0.061 | 0.091 | 47.356 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | C | 278 | PRO | 0 | 0.024 | -0.102 | 45.082 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | C | 279 | LEU | 0 | 0.135 | 0.006 | 47.027 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | C | 279 | LEU | 0 | -0.114 | 0.097 | 49.493 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | C | 280 | LEU | 0 | 0.008 | -0.154 | 50.056 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | C | 280 | LEU | 0 | -0.103 | 0.104 | 51.080 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | C | 281 | HIS | 0 | 0.073 | -0.081 | 47.374 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | C | 281 | HIS | 0 | -0.061 | 0.108 | 43.734 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | C | 282 | ILE | 0 | 0.016 | -0.107 | 48.869 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | C | 282 | ILE | 0 | -0.064 | 0.101 | 48.790 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | C | 283 | GLN | 0 | 0.028 | -0.139 | 50.517 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | C | 283 | GLN | 0 | -0.077 | 0.096 | 52.769 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | C | 284 | LYS | 0 | 0.018 | -0.089 | 53.042 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | C | 284 | LYS | 1 | 0.906 | 1.077 | 52.413 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | C | 285 | THR | 0 | 0.115 | -0.051 | 54.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | C | 285 | THR | 0 | -0.069 | 0.057 | 57.770 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | C | 286 | PRO | 0 | 0.001 | -0.122 | 54.730 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | C | 287 | ALA | 0 | 0.146 | 0.020 | 55.748 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | C | 287 | ALA | 0 | -0.112 | 0.084 | 60.170 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | C | 288 | ASP | 0 | 0.013 | -0.107 | 56.550 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | C | 288 | ASP | -1 | -0.966 | -0.876 | 55.866 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | C | 289 | CYS | 0 | 0.003 | -0.111 | 53.963 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | C | 290 | PRO | 0 | 0.027 | -0.080 | 52.884 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | C | 291 | VAL | 0 | 0.048 | -0.009 | 51.222 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | C | 291 | VAL | 0 | -0.088 | 0.097 | 49.298 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | C | 292 | ILE | 0 | 0.100 | -0.086 | 47.416 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | C | 292 | ILE | 0 | -0.086 | 0.100 | 45.897 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | C | 293 | ALA | 0 | 0.138 | -0.096 | 45.426 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | C | 293 | ALA | 0 | -0.054 | 0.102 | 45.426 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | C | 294 | ILE | 0 | 0.056 | -0.113 | 41.150 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | C | 294 | ILE | 0 | -0.080 | 0.110 | 39.077 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | C | 295 | ASP | 0 | 0.089 | -0.118 | 40.200 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | C | 295 | ASP | -1 | -0.892 | -0.787 | 39.741 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | C | 296 | SER | 0 | 0.014 | -0.066 | 36.659 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | C | 296 | SER | 0 | -0.073 | 0.039 | 36.366 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | C | 297 | PHE | 0 | 0.049 | -0.108 | 35.660 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | C | 297 | PHE | 0 | -0.062 | 0.125 | 34.773 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | C | 298 | ARG | 0 | 0.151 | -0.055 | 37.410 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | C | 298 | ARG | 1 | 0.751 | 1.026 | 36.726 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | C | 299 | HIS | 0 | -0.007 | -0.138 | 38.572 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | C | 299 | HIS | 0 | -0.065 | 0.054 | 41.658 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | C | 300 | MET | 0 | 0.134 | -0.093 | 41.094 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | C | 300 | MET | 0 | -0.082 | 0.129 | 42.976 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | C | 301 | TYR | 0 | 0.014 | -0.117 | 43.777 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | C | 301 | TYR | 0 | -0.120 | 0.073 | 41.326 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | C | 302 | VAL | 0 | 0.168 | -0.055 | 45.321 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | C | 302 | VAL | 0 | -0.108 | 0.082 | 49.266 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | C | 303 | PHE | 0 | 0.077 | -0.116 | 48.052 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | C | 303 | PHE | 0 | -0.095 | 0.105 | 47.168 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | C | 304 | GLY | 0 | -0.077 | -0.125 | 48.771 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | C | 305 | ASP | 0 | 0.031 | -0.026 | 52.504 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | C | 305 | ASP | -1 | -0.920 | -0.832 | 55.516 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | C | 306 | PHE | 0 | 0.148 | -0.072 | 52.769 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | C | 306 | PHE | 0 | -0.090 | 0.103 | 50.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | C | 307 | LYS | 0 | 0.107 | -0.070 | 53.111 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | C | 307 | LYS | 1 | 0.834 | 1.041 | 57.233 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | C | 308 | ASP | 0 | 0.088 | -0.159 | 53.702 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | C | 308 | ASP | -1 | -0.973 | -0.806 | 52.828 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | C | 309 | VAL | 0 | 0.007 | -0.140 | 50.235 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | C | 309 | VAL | 0 | -0.034 | 0.120 | 48.630 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | C | 310 | LEU | 0 | 0.101 | -0.112 | 50.508 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | C | 310 | LEU | 0 | -0.091 | 0.119 | 52.628 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | C | 311 | ILE | 0 | 0.071 | -0.105 | 52.917 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | C | 311 | ILE | 0 | -0.162 | 0.076 | 52.558 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | C | 312 | PRO | 0 | -0.005 | -0.115 | 49.580 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | C | 313 | GLY | 0 | -0.062 | -0.031 | 47.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | C | 314 | LYS | 0 | 0.073 | -0.030 | 46.867 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | C | 314 | LYS | 1 | 0.860 | 1.121 | 49.651 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | C | 315 | LEU | 0 | 0.192 | -0.097 | 46.051 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | C | 315 | LEU | 0 | -0.056 | 0.146 | 44.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | C | 316 | LYS | 0 | 0.157 | -0.075 | 42.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | C | 316 | LYS | 1 | 0.819 | 1.064 | 41.667 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | C | 317 | GLN | 0 | 0.094 | -0.097 | 41.984 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | C | 317 | GLN | 0 | -0.202 | 0.027 | 43.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | C | 318 | PHE | 0 | 0.057 | -0.087 | 43.523 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | C | 318 | PHE | 0 | -0.060 | 0.097 | 44.361 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | C | 319 | VAL | 0 | 0.043 | -0.110 | 39.965 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | C | 319 | VAL | 0 | -0.027 | 0.134 | 38.046 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | C | 320 | PHE | 0 | 0.139 | -0.085 | 38.572 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | C | 320 | PHE | 0 | -0.068 | 0.100 | 36.324 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | C | 321 | ASP | 0 | 0.103 | -0.116 | 39.414 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | C | 321 | ASP | -1 | -0.954 | -0.807 | 43.092 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | C | 322 | LEU | 0 | 0.075 | -0.125 | 38.923 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | C | 322 | LEU | 0 | -0.096 | 0.119 | 36.590 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | C | 323 | HIS | 0 | 0.026 | -0.118 | 35.545 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | C | 323 | HIS | 0 | -0.095 | 0.109 | 34.274 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | C | 324 | SER | 0 | 0.043 | -0.087 | 35.864 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | C | 324 | SER | 0 | -0.070 | 0.058 | 39.428 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | C | 325 | GLY | 0 | -0.065 | -0.112 | 38.533 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | C | 326 | LYS | 0 | 0.106 | 0.025 | 39.462 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | C | 326 | LYS | 1 | 0.784 | 1.043 | 43.050 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | C | 327 | LEU | 0 | 0.012 | -0.125 | 43.092 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | C | 327 | LEU | 0 | -0.103 | 0.043 | 46.930 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | C | 328 | HIS | 0 | 0.176 | -0.054 | 44.606 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | C | 328 | HIS | 0 | -0.052 | 0.128 | 40.398 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | C | 329 | ARG | 0 | 0.030 | -0.082 | 45.844 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | C | 329 | ARG | 1 | 0.771 | 1.051 | 47.994 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | C | 330 | GLU | 0 | 0.182 | -0.052 | 47.840 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | C | 330 | GLU | -1 | -0.969 | -0.850 | 51.505 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | C | 331 | PHE | 0 | -0.156 | -0.209 | 49.337 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | C | 331 | PHE | 0 | 0.087 | 0.054 | 45.129 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |