FMODB: The database of quantum mechanical data based on the FMO method
Last updated: 2026-04-18
All entries: 88827
Number of unique PDB entries: 32070
FMODB ID: YNLL2
Calculation Name: 3VA2-C-Xray540
Preferred Name: Interleukin-5 receptor subunit alpha
Target Type: SINGLE PROTEIN
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 3VA2
Chain ID: C
ChEMBL ID: CHEMBL3580483
UniProt ID: Q01344
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 | OptAll |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Structure Preparation |
| Water | No |
| Procedure | Auto-FMO protocol ver. 2.20220422 |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 582 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -4011542.254487 |
|---|---|
| FMO2-HF: Nuclear repulsion | 3889377.367706 |
| FMO2-HF: Total energy | -122164.886781 |
| FMO2-MP2: Total energy | -122521.15593 |
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:27:LYS)
Summations of interaction energy for
fragment #1(C:27:LYS)
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| -1.453 | 0.834 | -0.011 | -1.19 | -1.087 | 0.004 |
Interaction energy analysis for fragmet #1(C:27:LYS)
| frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 4 | C | 28 | ILE | 0 | -0.078 | 0.093 | 3.563 | -0.240 | 0.277 | 0.003 | -0.200 | -0.320 | 0.000 |
| 5 | C | 29 | SER | 0 | 0.012 | -0.104 | 3.884 | 0.272 | 2.042 | -0.014 | -0.990 | -0.767 | 0.004 |
| 6 | C | 29 | SER | 0 | -0.051 | 0.086 | 5.978 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | C | 30 | LEU | 0 | 0.083 | -0.115 | 6.680 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | C | 30 | LEU | 0 | -0.116 | 0.115 | 8.976 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | C | 31 | LEU | 0 | 0.103 | -0.109 | 9.922 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | C | 31 | LEU | 0 | -0.064 | 0.144 | 11.360 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | C | 32 | PRO | 0 | -0.014 | -0.092 | 12.971 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | C | 33 | PRO | 0 | 0.022 | 0.005 | 16.565 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | C | 34 | VAL | 0 | 0.064 | -0.007 | 18.800 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | C | 34 | VAL | 0 | -0.070 | 0.110 | 18.974 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | C | 35 | ASN | 0 | 0.079 | -0.056 | 21.499 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | C | 35 | ASN | 0 | -0.116 | 0.045 | 25.003 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | C | 36 | PHE | 0 | 0.165 | -0.083 | 24.750 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | C | 36 | PHE | 0 | -0.100 | 0.095 | 24.032 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | C | 37 | THR | 0 | -0.057 | -0.105 | 25.871 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | C | 37 | THR | 0 | -0.055 | 0.050 | 28.914 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | C | 38 | ILE | 0 | 0.091 | -0.099 | 29.639 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | C | 38 | ILE | 0 | -0.061 | 0.133 | 29.945 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | C | 39 | LYS | 0 | 0.038 | -0.088 | 32.264 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | C | 39 | LYS | 1 | 0.822 | 1.035 | 33.572 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | C | 40 | VAL | 0 | 0.175 | -0.112 | 35.730 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | C | 40 | VAL | 0 | -0.062 | 0.136 | 39.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | C | 41 | THR | 0 | -0.089 | -0.134 | 38.398 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | C | 41 | THR | 0 | -0.077 | 0.083 | 36.590 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | C | 42 | GLY | 0 | 0.054 | -0.085 | 39.595 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | C | 43 | LEU | 0 | 0.086 | -0.008 | 42.093 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | C | 43 | LEU | 0 | -0.067 | 0.133 | 45.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | C | 44 | ALA | 0 | 0.161 | -0.065 | 41.767 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | C | 44 | ALA | 0 | -0.091 | 0.107 | 42.123 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | C | 45 | GLN | 0 | 0.130 | -0.089 | 38.465 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | C | 45 | GLN | 0 | -0.097 | 0.090 | 37.808 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | C | 46 | VAL | 0 | -0.034 | -0.117 | 35.621 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | C | 46 | VAL | 0 | 0.017 | 0.122 | 33.795 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | C | 47 | LEU | 0 | 0.103 | -0.086 | 32.897 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | C | 47 | LEU | 0 | -0.106 | 0.071 | 31.652 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | C | 48 | LEU | 0 | 0.047 | -0.110 | 29.016 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | C | 48 | LEU | 0 | -0.040 | 0.116 | 28.162 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | C | 49 | GLN | 0 | 0.108 | -0.075 | 27.540 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | C | 49 | GLN | 0 | -0.071 | 0.060 | 28.514 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | C | 50 | TRP | 0 | 0.084 | -0.043 | 23.691 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | C | 50 | TRP | 0 | -0.052 | 0.104 | 20.780 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | C | 51 | LYS | 0 | 0.047 | -0.111 | 22.304 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | C | 51 | LYS | 1 | 0.763 | 1.021 | 22.331 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | C | 52 | PRO | 0 | 0.025 | -0.103 | 16.962 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | C | 53 | ASN | 0 | 0.142 | 0.014 | 15.987 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | C | 53 | ASN | 0 | -0.091 | 0.096 | 14.942 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | C | 54 | PRO | 0 | -0.080 | -0.143 | 15.575 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | C | 55 | ASP | 0 | 0.119 | 0.016 | 14.937 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | C | 55 | ASP | -1 | -0.996 | -0.855 | 14.384 | -0.888 | -0.888 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | C | 56 | GLN | 0 | 0.066 | -0.090 | 11.264 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | C | 56 | GLN | 0 | -0.158 | 0.034 | 9.225 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | C | 57 | GLU | 0 | 0.049 | -0.110 | 8.183 | 0.359 | 0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | C | 57 | GLU | -1 | -0.819 | -0.756 | 6.382 | -3.262 | -3.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | C | 58 | GLN | 0 | 0.093 | -0.109 | 9.715 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | C | 58 | GLN | 0 | -0.088 | 0.096 | 11.375 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | C | 59 | ARG | 0 | 0.003 | -0.086 | 10.130 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | C | 59 | ARG | 1 | 0.883 | 1.070 | 12.522 | 0.779 | 0.779 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | C | 60 | ASN | 0 | 0.110 | -0.081 | 9.918 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | C | 60 | ASN | 0 | -0.132 | 0.043 | 8.934 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | C | 61 | VAL | 0 | 0.072 | -0.096 | 9.578 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | C | 61 | VAL | 0 | -0.054 | 0.107 | 7.837 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | C | 62 | ASN | 0 | 0.091 | -0.094 | 10.864 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | C | 62 | ASN | 0 | -0.096 | 0.076 | 14.121 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | C | 63 | LEU | 0 | 0.048 | -0.082 | 12.230 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | C | 63 | LEU | 0 | -0.098 | 0.065 | 9.831 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | C | 64 | GLU | 0 | 0.065 | -0.092 | 13.662 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | C | 64 | GLU | -1 | -0.945 | -0.835 | 16.033 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | C | 65 | TYR | 0 | 0.051 | -0.090 | 16.219 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | C | 65 | TYR | 0 | -0.075 | 0.078 | 17.404 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | C | 66 | GLN | 0 | 0.195 | -0.065 | 18.788 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | C | 66 | GLN | 0 | -0.109 | 0.073 | 19.082 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | C | 67 | VAL | 0 | 0.023 | -0.144 | 20.467 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | C | 67 | VAL | 0 | -0.078 | 0.101 | 23.363 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | C | 68 | LYS | 0 | 0.151 | -0.065 | 24.051 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | C | 68 | LYS | 1 | 0.717 | 0.998 | 24.713 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | C | 69 | ILE | 0 | 0.055 | -0.117 | 26.265 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | C | 69 | ILE | 0 | -0.087 | 0.106 | 29.721 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | C | 70 | ASN | 0 | 0.049 | -0.089 | 29.943 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | C | 70 | ASN | 0 | -0.079 | 0.071 | 27.368 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | C | 71 | ALA | 0 | 0.123 | -0.078 | 31.149 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | C | 71 | ALA | 0 | -0.045 | 0.111 | 34.878 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | C | 72 | PRO | 0 | -0.064 | -0.119 | 34.617 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | C | 73 | LYS | 0 | 0.072 | -0.014 | 35.981 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | C | 73 | LYS | 1 | 0.855 | 1.057 | 36.246 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | C | 74 | GLU | 0 | 0.062 | -0.112 | 32.324 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | C | 74 | GLU | -1 | -0.941 | -0.803 | 30.851 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | C | 75 | ASP | 0 | 0.051 | -0.138 | 30.621 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | C | 75 | ASP | -1 | -0.960 | -0.842 | 30.530 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | C | 76 | ASP | 0 | 0.077 | -0.110 | 26.449 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | C | 76 | ASP | -1 | -0.957 | -0.813 | 24.179 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | C | 77 | TYR | 0 | 0.083 | -0.053 | 25.017 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | C | 77 | TYR | 0 | -0.153 | 0.036 | 25.726 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | C | 78 | GLU | 0 | 0.104 | -0.117 | 21.507 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | C | 78 | GLU | -1 | -0.894 | -0.794 | 19.097 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | C | 79 | THR | 0 | -0.005 | -0.081 | 21.298 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | C | 79 | THR | 0 | -0.043 | 0.056 | 22.402 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | C | 80 | ARG | 0 | 0.116 | -0.065 | 19.917 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | C | 80 | ARG | 1 | 0.897 | 1.065 | 20.432 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | C | 81 | ILE | 0 | 0.029 | -0.090 | 20.799 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | C | 81 | ILE | 0 | -0.098 | 0.083 | 23.912 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | C | 82 | THR | 0 | 0.041 | -0.074 | 22.559 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | C | 82 | THR | 0 | -0.050 | 0.060 | 21.301 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | C | 83 | GLU | 0 | 0.121 | -0.075 | 23.428 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | C | 83 | GLU | -1 | -0.911 | -0.821 | 26.950 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | C | 84 | SER | 0 | 0.037 | -0.106 | 26.689 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | C | 84 | SER | 0 | 0.019 | 0.114 | 27.236 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | C | 85 | LYS | 0 | 0.063 | -0.065 | 28.940 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | C | 85 | LYS | 1 | 0.800 | 1.023 | 33.522 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | C | 86 | CYS | 0 | 0.080 | -0.119 | 31.870 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | C | 86 | CYS | 0 | -0.095 | 0.136 | 32.097 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | C | 87 | VAL | 0 | 0.096 | -0.111 | 33.910 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | C | 87 | VAL | 0 | -0.110 | 0.103 | 36.945 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | C | 88 | THR | 0 | 0.077 | -0.104 | 37.348 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | C | 88 | THR | 0 | -0.043 | 0.077 | 36.140 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | C | 89 | ILE | 0 | 0.089 | -0.063 | 38.560 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | C | 89 | ILE | 0 | -0.112 | 0.090 | 41.025 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | C | 90 | LEU | 0 | 0.057 | -0.139 | 39.854 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | C | 90 | LEU | 0 | -0.060 | 0.129 | 38.135 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | C | 91 | HIS | 0 | 0.045 | -0.102 | 41.399 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | C | 91 | HIS | 1 | 0.661 | 0.993 | 45.284 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | C | 92 | LYS | 0 | -0.021 | -0.139 | 41.745 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | C | 92 | LYS | 1 | 0.920 | 1.065 | 41.090 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | C | 93 | GLY | 0 | 0.070 | -0.056 | 39.214 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | C | 94 | PHE | 0 | 0.079 | -0.019 | 36.003 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | C | 94 | PHE | 0 | -0.084 | 0.089 | 31.852 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | C | 95 | SER | 0 | 0.094 | -0.075 | 32.276 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | C | 95 | SER | 0 | -0.069 | 0.063 | 31.559 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | C | 96 | ALA | 0 | 0.041 | -0.091 | 29.049 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | C | 96 | ALA | 0 | -0.082 | 0.093 | 28.634 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | C | 97 | SER | 0 | 0.028 | -0.100 | 24.810 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | C | 97 | SER | 0 | -0.037 | 0.069 | 23.771 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | C | 98 | VAL | 0 | 0.076 | -0.075 | 22.507 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | C | 98 | VAL | 0 | -0.110 | 0.097 | 21.341 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | C | 99 | ARG | 0 | 0.090 | -0.123 | 18.452 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | C | 99 | ARG | 1 | 0.756 | 1.034 | 16.797 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | C | 100 | THR | 0 | 0.057 | -0.069 | 14.704 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | C | 100 | THR | 0 | -0.045 | 0.040 | 13.199 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | C | 101 | ILE | 0 | 0.018 | -0.094 | 13.294 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | C | 101 | ILE | 0 | -0.060 | 0.113 | 14.532 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | C | 102 | LEU | 0 | 0.131 | -0.095 | 9.774 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | C | 102 | LEU | 0 | -0.090 | 0.090 | 6.943 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | C | 103 | GLN | 0 | 0.022 | -0.099 | 10.960 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | C | 103 | GLN | 0 | -0.067 | 0.081 | 13.745 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | C | 104 | ASN | 0 | 0.084 | -0.027 | 11.274 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | C | 104 | ASN | 0 | -0.099 | 0.019 | 8.512 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | C | 105 | ASP | 0 | 0.050 | -0.107 | 12.262 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | C | 105 | ASP | -1 | -0.926 | -0.837 | 13.012 | 0.474 | 0.474 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | C | 106 | HIS | 0 | 0.078 | -0.094 | 10.868 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | C | 106 | HIS | 0 | -0.098 | 0.067 | 10.073 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | C | 107 | SER | 0 | -0.026 | -0.081 | 9.265 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | C | 107 | SER | 0 | -0.065 | 0.039 | 8.525 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | C | 108 | LEU | 0 | 0.104 | -0.101 | 10.759 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | C | 108 | LEU | 0 | -0.066 | 0.130 | 13.412 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | C | 109 | LEU | 0 | 0.008 | -0.135 | 9.368 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | C | 109 | LEU | 0 | -0.071 | 0.105 | 6.064 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | C | 110 | ALA | 0 | 0.148 | -0.110 | 10.777 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | C | 110 | ALA | 0 | -0.071 | 0.120 | 14.863 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | C | 111 | SER | 0 | 0.001 | -0.062 | 13.163 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | C | 111 | SER | 0 | -0.065 | 0.050 | 12.968 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | C | 112 | SER | 0 | 0.057 | -0.085 | 13.952 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | C | 112 | SER | 0 | -0.023 | 0.080 | 16.614 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | C | 113 | TRP | 0 | 0.046 | -0.103 | 16.967 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | C | 113 | TRP | 0 | -0.083 | 0.100 | 21.406 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | C | 114 | ALA | 0 | 0.111 | -0.081 | 20.262 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | C | 114 | ALA | 0 | -0.078 | 0.119 | 20.930 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | C | 115 | SER | 0 | -0.032 | -0.111 | 22.069 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | C | 115 | SER | 0 | 0.012 | 0.092 | 25.204 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | C | 116 | ALA | 0 | 0.125 | -0.086 | 25.771 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | C | 116 | ALA | 0 | -0.071 | 0.104 | 28.265 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | C | 117 | GLU | 0 | -0.016 | -0.136 | 29.187 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | C | 117 | GLU | -1 | -0.892 | -0.782 | 32.087 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | C | 118 | LEU | 0 | 0.027 | -0.121 | 32.810 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | C | 118 | LEU | 0 | -0.112 | 0.083 | 34.990 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | C | 119 | HIS | 0 | 0.160 | -0.058 | 36.497 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | C | 119 | HIS | 0 | -0.121 | 0.068 | 35.270 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | C | 120 | ALA | 0 | 0.109 | -0.110 | 38.901 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | C | 120 | ALA | 0 | -0.085 | 0.110 | 41.591 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | C | 121 | PRO | 0 | -0.059 | -0.121 | 42.006 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | C | 122 | PRO | 0 | 0.003 | 0.009 | 45.232 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | C | 123 | GLY | 0 | 0.065 | 0.014 | 47.645 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | C | 124 | SER | 0 | -0.040 | -0.006 | 49.990 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | C | 124 | SER | 0 | -0.032 | 0.043 | 53.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | C | 125 | PRO | 0 | -0.012 | -0.122 | 50.055 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | C | 126 | GLY | 0 | 0.035 | 0.011 | 51.427 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | C | 127 | THR | 0 | 0.005 | -0.008 | 54.385 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | C | 127 | THR | 0 | -0.029 | 0.081 | 53.255 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | C | 128 | SER | 0 | 0.061 | -0.044 | 52.224 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | C | 128 | SER | 0 | -0.097 | 0.045 | 51.410 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | C | 129 | ILE | 0 | 0.047 | -0.072 | 53.386 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | C | 129 | ILE | 0 | -0.075 | 0.113 | 53.361 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | C | 130 | VAL | 0 | 0.086 | -0.103 | 53.726 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | C | 130 | VAL | 0 | -0.077 | 0.107 | 55.002 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | C | 131 | ASN | 0 | 0.060 | -0.057 | 54.737 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | C | 131 | ASN | 0 | -0.090 | 0.054 | 55.799 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | C | 132 | LEU | 0 | 0.187 | -0.083 | 53.200 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | C | 132 | LEU | 0 | -0.098 | 0.095 | 50.913 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | C | 133 | THR | 0 | -0.034 | -0.111 | 53.493 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | C | 133 | THR | 0 | -0.043 | 0.082 | 56.277 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | C | 134 | CYS | 0 | 0.045 | -0.121 | 54.329 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | C | 134 | CYS | 0 | -0.158 | 0.202 | 53.411 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | C | 135 | THR | 0 | 0.051 | -0.070 | 55.359 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | C | 135 | THR | 0 | -0.007 | 0.072 | 57.288 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | C | 136 | THR | 0 | -0.007 | -0.082 | 55.630 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | C | 136 | THR | 0 | -0.020 | 0.067 | 53.893 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | C | 137 | ASN | 0 | 0.123 | -0.062 | 56.958 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | C | 137 | ASN | 0 | -0.077 | 0.087 | 60.754 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | C | 138 | THR | 0 | 0.022 | -0.077 | 59.049 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | C | 138 | THR | 0 | -0.012 | 0.084 | 57.539 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | C | 139 | THR | 0 | 0.049 | -0.064 | 59.694 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | C | 139 | THR | 0 | -0.023 | 0.095 | 62.431 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | C | 140 | GLU | 0 | 0.134 | -0.114 | 62.283 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | C | 140 | GLU | -1 | -0.959 | -0.826 | 64.839 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | C | 141 | ASP | 0 | 0.048 | -0.105 | 62.863 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | C | 141 | ASP | -1 | -0.873 | -0.801 | 61.738 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | C | 142 | ASN | 0 | 0.027 | -0.119 | 64.231 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | C | 142 | ASN | 0 | -0.070 | 0.078 | 68.660 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | C | 143 | TYR | 0 | 0.074 | -0.070 | 66.435 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | C | 143 | TYR | 0 | -0.102 | 0.081 | 64.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | C | 144 | SER | 0 | 0.001 | -0.097 | 62.750 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | C | 144 | SER | 0 | -0.054 | 0.071 | 62.057 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | C | 145 | ARG | 0 | 0.138 | -0.069 | 62.646 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | C | 145 | ARG | 1 | 0.889 | 1.048 | 65.129 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | C | 146 | LEU | 0 | 0.112 | -0.063 | 60.442 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | C | 146 | LEU | 0 | -0.141 | 0.086 | 57.218 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | C | 147 | ARG | 0 | 0.007 | -0.127 | 58.342 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | C | 147 | ARG | 1 | 0.891 | 1.078 | 54.585 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | C | 148 | SER | 0 | 0.069 | -0.082 | 58.350 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | C | 148 | SER | 0 | -0.055 | 0.071 | 58.125 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | C | 149 | TYR | 0 | 0.030 | -0.080 | 58.215 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | C | 149 | TYR | 0 | -0.055 | 0.087 | 58.783 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | C | 150 | GLN | 0 | 0.103 | -0.110 | 58.864 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | C | 150 | GLN | 0 | -0.068 | 0.101 | 61.106 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | C | 151 | VAL | 0 | 0.051 | -0.094 | 56.385 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | C | 151 | VAL | 0 | -0.069 | 0.124 | 54.898 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | C | 152 | SER | 0 | -0.024 | -0.091 | 57.892 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | C | 152 | SER | 0 | -0.020 | 0.085 | 60.577 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | C | 153 | LEU | 0 | 0.143 | -0.067 | 56.441 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | C | 153 | LEU | 0 | -0.122 | 0.067 | 53.793 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | C | 154 | HIS | 0 | 0.035 | -0.119 | 57.711 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | C | 154 | HIS | 0 | -0.097 | 0.076 | 60.282 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | C | 155 | CYS | 0 | -0.008 | -0.130 | 56.768 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | C | 156 | THR | 0 | 0.051 | -0.069 | 57.956 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | C | 156 | THR | 0 | 0.015 | 0.083 | 59.049 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | C | 157 | TRP | 0 | 0.032 | -0.054 | 57.444 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | C | 157 | TRP | 0 | -0.070 | 0.071 | 56.627 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | C | 158 | LEU | 0 | 0.110 | -0.100 | 58.253 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | C | 158 | LEU | 0 | -0.096 | 0.103 | 59.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | C | 159 | VAL | 0 | 0.045 | -0.128 | 58.291 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | C | 159 | VAL | 0 | -0.033 | 0.126 | 60.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | C | 160 | GLY | 0 | 0.079 | -0.060 | 57.801 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | C | 161 | THR | 0 | -0.040 | 0.005 | 58.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | C | 161 | THR | 0 | -0.028 | 0.040 | 58.606 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | C | 162 | ASP | 0 | 0.038 | -0.087 | 57.822 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | C | 162 | ASP | -1 | -0.853 | -0.786 | 55.967 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | C | 163 | ALA | 0 | 0.087 | -0.119 | 58.909 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | C | 163 | ALA | 0 | -0.086 | 0.134 | 59.190 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | C | 164 | PRO | 0 | -0.018 | -0.112 | 58.753 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | C | 165 | GLU | 0 | 0.129 | -0.016 | 61.863 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | C | 165 | GLU | -1 | -1.006 | -0.833 | 65.984 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | C | 166 | ASP | 0 | 0.039 | -0.082 | 64.001 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | C | 166 | ASP | -1 | -0.813 | -0.776 | 62.310 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | C | 167 | THR | 0 | 0.019 | -0.068 | 60.360 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | C | 167 | THR | 0 | -0.037 | 0.057 | 58.686 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | C | 168 | GLN | 0 | 0.071 | -0.089 | 59.674 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | C | 168 | GLN | 0 | -0.058 | 0.113 | 60.636 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | C | 169 | TYR | 0 | 0.068 | -0.120 | 57.106 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | C | 169 | TYR | 0 | -0.089 | 0.079 | 55.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | C | 170 | PHE | 0 | 0.102 | -0.077 | 55.997 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | C | 170 | PHE | 0 | -0.115 | 0.082 | 55.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | C | 171 | LEU | 0 | 0.146 | -0.091 | 54.386 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | C | 171 | LEU | 0 | -0.097 | 0.095 | 53.816 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | C | 172 | TYR | 0 | 0.063 | -0.098 | 51.525 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | C | 172 | TYR | 0 | -0.138 | 0.046 | 50.743 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | C | 173 | TYR | 0 | 0.041 | -0.089 | 49.973 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | C | 173 | TYR | 0 | -0.114 | 0.032 | 50.318 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | C | 174 | ARG | 0 | 0.180 | -0.081 | 46.560 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | C | 174 | ARG | 1 | 0.711 | 0.988 | 42.271 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | C | 175 | TYR | 0 | 0.080 | -0.092 | 46.574 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | C | 175 | TYR | 0 | -0.029 | 0.128 | 46.611 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | C | 176 | GLY | 0 | -0.002 | -0.098 | 43.740 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | C | 177 | SER | 0 | 0.008 | 0.010 | 43.890 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | C | 177 | SER | 0 | -0.015 | 0.077 | 43.547 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | C | 178 | TRP | 0 | -0.003 | -0.113 | 44.745 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | C | 178 | TRP | 0 | -0.059 | 0.104 | 48.212 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | C | 179 | THR | 0 | 0.048 | -0.088 | 48.229 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | C | 179 | THR | 0 | -0.021 | 0.056 | 47.193 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | C | 180 | GLU | 0 | 0.003 | -0.098 | 49.610 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | C | 180 | GLU | -1 | -0.826 | -0.760 | 53.103 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | C | 181 | GLU | 0 | 0.123 | -0.107 | 52.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | C | 181 | GLU | -1 | -0.880 | -0.769 | 54.902 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | C | 182 | CYS | 0 | 0.090 | -0.107 | 55.375 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | C | 182 | CYS | 0 | -0.274 | 0.202 | 57.405 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | C | 183 | GLN | 0 | 0.049 | -0.109 | 58.351 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | C | 183 | GLN | 0 | -0.089 | 0.101 | 58.918 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | C | 184 | GLU | 0 | 0.131 | -0.093 | 61.906 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | C | 184 | GLU | -1 | -0.981 | -0.840 | 63.471 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | C | 185 | TYR | 0 | 0.043 | -0.143 | 62.680 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | C | 185 | TYR | 0 | -0.172 | 0.049 | 58.092 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | C | 186 | SER | 0 | 0.120 | -0.058 | 63.498 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | C | 186 | SER | 0 | -0.031 | 0.083 | 64.601 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | C | 187 | LYS | 0 | -0.016 | -0.115 | 64.200 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | C | 187 | LYS | 1 | 0.811 | 1.033 | 64.926 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | C | 188 | ASP | 0 | 0.099 | -0.050 | 66.286 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | C | 188 | ASP | -1 | -0.841 | -0.810 | 65.873 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | C | 189 | THR | 0 | 0.029 | -0.088 | 67.727 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | C | 189 | THR | 0 | -0.013 | 0.072 | 70.602 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | C | 190 | LEU | 0 | -0.012 | -0.111 | 68.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | C | 190 | LEU | 0 | -0.056 | 0.116 | 67.135 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | C | 191 | GLY | 0 | -0.001 | -0.110 | 68.023 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | C | 192 | ARG | 0 | 0.102 | 0.000 | 63.742 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | C | 192 | ARG | 1 | 0.749 | 1.020 | 62.656 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | C | 193 | ASN | 0 | 0.056 | -0.110 | 61.583 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | C | 193 | ASN | 0 | -0.105 | 0.073 | 60.625 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | C | 194 | ILE | 0 | 0.062 | -0.094 | 61.009 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | C | 194 | ILE | 0 | -0.079 | 0.100 | 62.023 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | C | 195 | ALA | 0 | 0.122 | -0.089 | 60.551 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | C | 195 | ALA | 0 | -0.076 | 0.083 | 62.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | C | 196 | CYS | 0 | 0.062 | -0.115 | 59.326 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | C | 197 | TRP | 0 | 0.109 | -0.092 | 60.728 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | C | 197 | TRP | 0 | -0.058 | 0.116 | 61.740 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | C | 198 | PHE | 0 | 0.032 | -0.119 | 58.780 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | C | 198 | PHE | 0 | -0.047 | 0.115 | 55.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | C | 199 | PRO | 0 | 0.076 | -0.060 | 60.298 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | C | 200 | ARG | 0 | 0.020 | -0.003 | 60.037 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | C | 200 | ARG | 1 | 0.792 | 0.981 | 60.211 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | C | 201 | THR | 0 | -0.017 | -0.059 | 55.647 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | C | 201 | THR | 0 | -0.057 | 0.025 | 54.612 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | C | 202 | PHE | 0 | 0.060 | -0.084 | 52.179 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | C | 202 | PHE | 0 | -0.086 | 0.084 | 51.316 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | C | 203 | ILE | 0 | 0.070 | -0.105 | 51.132 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | C | 203 | ILE | 0 | -0.049 | 0.117 | 51.007 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | C | 204 | LEU | 0 | 0.083 | -0.095 | 50.487 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | C | 204 | LEU | 0 | -0.123 | 0.088 | 48.205 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | C | 205 | SER | 0 | 0.127 | -0.045 | 51.729 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | C | 205 | SER | 0 | -0.017 | 0.083 | 55.550 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | C | 206 | LYS | 0 | 0.028 | -0.101 | 51.604 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | C | 206 | LYS | 1 | 0.755 | 1.012 | 50.966 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | C | 207 | GLY | 0 | 0.018 | -0.118 | 48.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | C | 208 | ARG | 0 | -0.017 | -0.010 | 45.010 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | C | 208 | ARG | 1 | 0.819 | 1.021 | 44.215 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | C | 209 | ASP | 0 | 0.124 | -0.061 | 42.752 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | C | 209 | ASP | -1 | -0.890 | -0.838 | 41.947 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | C | 210 | TRP | 0 | 0.043 | -0.117 | 42.939 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | C | 210 | TRP | 0 | -0.064 | 0.092 | 39.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | C | 211 | LEU | 0 | 0.113 | -0.083 | 44.489 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | C | 211 | LEU | 0 | -0.102 | 0.107 | 49.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | C | 212 | ALA | 0 | 0.121 | -0.100 | 45.271 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | C | 212 | ALA | 0 | -0.112 | 0.097 | 44.320 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | C | 213 | VAL | 0 | 0.013 | -0.125 | 46.358 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | C | 213 | VAL | 0 | -0.047 | 0.116 | 49.835 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | C | 214 | LEU | 0 | 0.155 | -0.085 | 48.098 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | C | 214 | LEU | 0 | -0.153 | 0.081 | 47.106 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | C | 215 | VAL | 0 | 0.051 | -0.118 | 49.417 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | C | 215 | VAL | 0 | -0.067 | 0.132 | 52.038 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | C | 216 | ASN | 0 | 0.135 | -0.067 | 51.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | C | 216 | ASN | 0 | -0.070 | 0.078 | 51.025 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | C | 217 | GLY | 0 | 0.005 | -0.115 | 52.435 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | C | 218 | SER | 0 | -0.049 | 0.009 | 54.162 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | C | 218 | SER | 0 | -0.002 | 0.075 | 56.141 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | C | 219 | SER | 0 | 0.041 | -0.098 | 56.657 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | C | 219 | SER | 0 | -0.027 | 0.046 | 58.052 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | C | 220 | LYS | 0 | -0.016 | -0.088 | 58.154 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | C | 220 | LYS | 1 | 0.829 | 1.037 | 60.688 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | C | 221 | HIS | 0 | 0.060 | -0.106 | 60.264 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | C | 221 | HIS | 0 | -0.123 | 0.062 | 61.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | C | 222 | SER | 0 | -0.003 | -0.085 | 57.071 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | C | 222 | SER | 0 | 0.003 | 0.065 | 57.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | C | 223 | ALA | 0 | 0.107 | -0.071 | 52.742 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | C | 223 | ALA | 0 | -0.087 | 0.099 | 51.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | C | 224 | ILE | 0 | 0.058 | -0.134 | 53.452 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | C | 224 | ILE | 0 | -0.113 | 0.131 | 53.190 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | C | 225 | ARG | 0 | 0.179 | -0.079 | 49.580 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | C | 225 | ARG | 1 | 0.802 | 1.071 | 46.696 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | C | 226 | PRO | 0 | -0.024 | -0.094 | 47.414 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | C | 227 | PHE | 0 | 0.139 | -0.018 | 48.691 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | C | 227 | PHE | 0 | -0.075 | 0.103 | 49.507 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | C | 228 | ASP | 0 | 0.026 | -0.088 | 46.298 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | C | 228 | ASP | -1 | -0.768 | -0.756 | 43.938 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | C | 229 | GLN | 0 | 0.090 | -0.121 | 45.897 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | C | 229 | GLN | 0 | -0.043 | 0.112 | 47.250 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | C | 230 | LEU | 0 | 0.046 | -0.110 | 43.677 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | C | 230 | LEU | 0 | -0.111 | 0.108 | 40.903 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | C | 231 | PHE | 0 | 0.076 | -0.112 | 45.204 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | C | 231 | PHE | 0 | -0.050 | 0.108 | 49.224 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | C | 232 | ALA | 0 | 0.140 | -0.095 | 46.175 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | C | 232 | ALA | 0 | -0.055 | 0.129 | 45.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | C | 233 | LEU | 0 | 0.037 | -0.108 | 46.891 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | C | 233 | LEU | 0 | -0.040 | 0.107 | 48.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | C | 234 | HIS | 0 | 0.079 | -0.087 | 49.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | C | 234 | HIS | 0 | -0.111 | 0.059 | 45.703 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | C | 235 | ALA | 0 | 0.138 | -0.087 | 50.316 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | C | 235 | ALA | 0 | -0.107 | 0.091 | 49.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | C | 236 | ILE | 0 | -0.005 | -0.120 | 51.691 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | C | 236 | ILE | 0 | -0.118 | 0.075 | 51.365 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | C | 237 | ASP | 0 | 0.125 | -0.056 | 53.797 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | C | 237 | ASP | -1 | -0.944 | -0.820 | 54.022 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | C | 238 | GLN | 0 | 0.129 | -0.087 | 55.613 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | C | 238 | GLN | 0 | -0.129 | 0.074 | 59.439 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | C | 239 | ILE | 0 | 0.030 | -0.136 | 59.053 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | C | 239 | ILE | 0 | -0.113 | 0.111 | 56.564 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | C | 240 | ASN | 0 | 0.121 | -0.057 | 60.329 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | C | 240 | ASN | 0 | -0.126 | 0.058 | 62.616 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | C | 241 | PRO | 0 | 0.001 | -0.114 | 63.867 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | C | 242 | PRO | 0 | -0.043 | -0.013 | 65.832 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | C | 243 | LEU | 0 | 0.136 | 0.029 | 67.409 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | C | 243 | LEU | 0 | -0.088 | 0.108 | 68.604 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | C | 244 | ASN | 0 | 0.013 | -0.100 | 69.974 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | C | 244 | ASN | 0 | -0.117 | 0.047 | 72.701 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | C | 245 | VAL | 0 | 0.154 | -0.106 | 72.891 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | C | 245 | VAL | 0 | -0.105 | 0.093 | 70.937 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | C | 246 | THR | 0 | -0.022 | -0.107 | 73.536 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | C | 246 | THR | 0 | -0.044 | 0.093 | 75.796 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | C | 247 | ALA | 0 | 0.124 | -0.085 | 75.990 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | C | 247 | ALA | 0 | -0.078 | 0.085 | 77.261 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | C | 248 | GLU | 0 | 0.040 | -0.138 | 78.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | C | 248 | GLU | -1 | -1.008 | -0.834 | 80.663 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | C | 249 | ILE | 0 | 0.077 | -0.099 | 81.097 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | C | 249 | ILE | 0 | -0.104 | 0.094 | 82.184 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | C | 250 | GLU | 0 | 0.153 | -0.083 | 83.315 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | C | 250 | GLU | -1 | -0.943 | -0.780 | 83.069 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | C | 251 | GLY | 0 | -0.053 | -0.142 | 84.982 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | C | 252 | THR | 0 | 0.054 | 0.052 | 85.407 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | C | 252 | THR | 0 | -0.076 | 0.043 | 84.560 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | C | 253 | ARG | 0 | 0.029 | -0.137 | 81.306 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | C | 253 | ARG | 1 | 0.782 | 0.974 | 78.928 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | C | 254 | LEU | 0 | 0.103 | -0.092 | 78.719 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | C | 254 | LEU | 0 | -0.110 | 0.100 | 77.502 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | C | 255 | SER | 0 | 0.039 | -0.103 | 76.861 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | C | 255 | SER | 0 | -0.043 | 0.092 | 77.038 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | C | 256 | ILE | 0 | 0.074 | -0.092 | 74.320 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | C | 256 | ILE | 0 | -0.093 | 0.086 | 72.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | C | 257 | GLN | 0 | 0.088 | -0.067 | 72.036 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | C | 257 | GLN | 0 | -0.056 | 0.091 | 72.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | C | 258 | TRP | 0 | 0.085 | -0.070 | 70.109 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | C | 258 | TRP | 0 | -0.085 | 0.076 | 65.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | C | 259 | GLU | 0 | 0.132 | -0.092 | 68.276 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | C | 259 | GLU | -1 | -0.954 | -0.793 | 68.466 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | C | 260 | LYS | 0 | 0.106 | -0.100 | 63.689 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | C | 260 | LYS | 1 | 0.691 | 0.996 | 61.486 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | C | 261 | PRO | 0 | -0.039 | -0.103 | 61.785 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | C | 262 | VAL | 0 | 0.104 | -0.011 | 62.517 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | C | 262 | VAL | 0 | -0.072 | 0.127 | 63.184 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | C | 263 | SER | 0 | 0.028 | -0.094 | 59.312 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | C | 263 | SER | 0 | 0.001 | 0.089 | 58.245 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | C | 264 | ALA | 0 | 0.214 | -0.041 | 56.654 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | C | 264 | ALA | 0 | -0.123 | 0.093 | 55.794 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | C | 265 | PHE | 0 | -0.017 | -0.129 | 55.591 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | C | 265 | PHE | 0 | -0.052 | 0.106 | 51.217 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | C | 266 | PRO | 0 | 0.014 | -0.101 | 55.027 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | C | 267 | ILE | 0 | 0.155 | 0.033 | 58.017 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | C | 267 | ILE | 0 | -0.040 | 0.115 | 61.372 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | C | 268 | HIS | 0 | 0.059 | -0.102 | 57.516 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | C | 268 | HIS | 0 | -0.051 | 0.097 | 53.482 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | C | 269 | CYS | 0 | 0.039 | -0.099 | 55.203 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | C | 269 | CYS | 0 | -0.288 | 0.129 | 51.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | C | 270 | PHE | 0 | 0.137 | -0.102 | 56.020 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | C | 270 | PHE | 0 | -0.092 | 0.096 | 59.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | C | 271 | ASP | 0 | 0.191 | -0.081 | 58.235 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | C | 271 | ASP | -1 | -0.888 | -0.778 | 56.915 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | C | 272 | TYR | 0 | 0.042 | -0.106 | 59.503 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | C | 272 | TYR | 0 | -0.085 | 0.107 | 62.148 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | C | 273 | GLU | 0 | 0.114 | -0.097 | 63.143 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | C | 273 | GLU | -1 | -0.907 | -0.798 | 62.517 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | C | 274 | VAL | 0 | 0.053 | -0.099 | 65.391 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | C | 274 | VAL | 0 | -0.097 | 0.110 | 68.180 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | C | 275 | LYS | 0 | 0.175 | -0.090 | 69.149 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | C | 275 | LYS | 1 | 0.750 | 1.015 | 70.207 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | C | 276 | ILE | 0 | 0.043 | -0.113 | 71.373 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | C | 276 | ILE | 0 | -0.068 | 0.105 | 73.230 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | C | 277 | HIS | 0 | 0.130 | -0.071 | 74.931 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | C | 277 | HIS | 0 | -0.150 | 0.055 | 75.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | C | 278 | ASN | 0 | 0.166 | -0.052 | 77.344 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | C | 278 | ASN | 0 | -0.159 | 0.038 | 80.674 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | C | 279 | THR | 0 | -0.040 | -0.102 | 80.920 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | C | 279 | THR | 0 | -0.098 | 0.031 | 81.201 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | C | 280 | ARG | 0 | 0.162 | -0.027 | 82.769 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | C | 280 | ARG | 1 | 0.725 | 0.975 | 84.674 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | C | 281 | ASN | 0 | -0.021 | -0.096 | 83.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | C | 281 | ASN | 0 | -0.079 | 0.044 | 82.514 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | C | 282 | GLY | 0 | 0.069 | -0.074 | 79.827 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | C | 283 | TYR | 0 | 0.110 | 0.031 | 77.947 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | C | 283 | TYR | 0 | -0.088 | 0.075 | 75.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | C | 284 | LEU | 0 | 0.063 | -0.110 | 74.557 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | C | 284 | LEU | 0 | -0.110 | 0.093 | 71.827 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | C | 285 | GLN | 0 | 0.084 | -0.095 | 72.235 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | C | 285 | GLN | 0 | -0.117 | 0.055 | 71.517 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | C | 286 | ILE | 0 | 0.016 | -0.107 | 68.689 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | C | 286 | ILE | 0 | -0.075 | 0.083 | 66.973 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | C | 287 | GLU | 0 | 0.091 | -0.095 | 67.046 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | C | 287 | GLU | -1 | -0.914 | -0.797 | 67.275 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | C | 288 | LYS | 0 | 0.119 | -0.081 | 62.672 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | C | 288 | LYS | 1 | 0.764 | 1.016 | 57.378 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | C | 289 | LEU | 0 | 0.048 | -0.083 | 62.451 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | C | 289 | LEU | 0 | -0.110 | 0.073 | 64.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | C | 290 | MET | 0 | 0.097 | -0.093 | 60.266 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | C | 290 | MET | 0 | -0.055 | 0.110 | 57.038 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | C | 291 | THR | 0 | -0.002 | -0.066 | 61.622 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | C | 291 | THR | 0 | -0.058 | 0.046 | 64.778 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | C | 292 | ASN | 0 | 0.130 | -0.048 | 64.856 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | C | 292 | ASN | 0 | -0.132 | 0.029 | 66.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | C | 293 | ALA | 0 | 0.120 | -0.104 | 67.186 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | C | 293 | ALA | 0 | -0.079 | 0.097 | 70.851 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | C | 294 | PHE | 0 | 0.025 | -0.104 | 69.290 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | C | 294 | PHE | 0 | -0.046 | 0.098 | 69.847 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | C | 295 | ILE | 0 | 0.053 | -0.083 | 71.614 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | C | 295 | ILE | 0 | -0.071 | 0.084 | 74.408 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | C | 296 | SER | 0 | -0.040 | -0.083 | 74.249 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | C | 296 | SER | 0 | 0.001 | 0.073 | 74.634 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | C | 297 | ILE | 0 | 0.113 | -0.063 | 76.427 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | C | 297 | ILE | 0 | -0.058 | 0.085 | 78.055 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | C | 298 | ILE | 0 | 0.044 | -0.082 | 78.948 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | C | 298 | ILE | 0 | -0.087 | 0.076 | 79.916 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | C | 299 | ASP | 0 | 0.096 | -0.062 | 81.694 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | C | 299 | ASP | -1 | -0.794 | -0.737 | 85.005 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | C | 300 | ASP | 0 | 0.054 | -0.115 | 85.386 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | C | 300 | ASP | -1 | -0.846 | -0.793 | 87.770 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | C | 301 | LEU | 0 | -0.001 | -0.111 | 88.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | C | 301 | LEU | 0 | -0.075 | 0.092 | 89.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | C | 302 | SER | 0 | 0.038 | -0.100 | 85.601 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | C | 302 | SER | 0 | -0.036 | 0.058 | 84.878 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | C | 303 | LYS | 0 | 0.106 | -0.056 | 85.522 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | C | 303 | LYS | 1 | 0.829 | 1.070 | 84.315 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | C | 304 | TYR | 0 | 0.047 | -0.110 | 81.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | C | 304 | TYR | 0 | -0.105 | 0.074 | 79.560 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | C | 305 | ASP | 0 | 0.037 | -0.069 | 79.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | C | 305 | ASP | -1 | -0.902 | -0.842 | 77.042 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | C | 306 | VAL | 0 | 0.077 | -0.105 | 75.288 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | C | 306 | VAL | 0 | -0.044 | 0.109 | 74.068 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | C | 307 | GLN | 0 | 0.064 | -0.103 | 72.311 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | C | 307 | GLN | 0 | -0.061 | 0.084 | 71.525 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | C | 308 | VAL | 0 | 0.087 | -0.078 | 68.969 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | C | 308 | VAL | 0 | -0.063 | 0.108 | 67.301 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | C | 309 | ARG | 0 | 0.166 | -0.116 | 65.513 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | C | 309 | ARG | 1 | 0.745 | 1.031 | 62.218 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | C | 310 | ALA | 0 | 0.121 | -0.086 | 62.418 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | C | 310 | ALA | 0 | -0.052 | 0.095 | 62.045 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | C | 311 | ALA | 0 | 0.091 | -0.111 | 58.210 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | C | 311 | ALA | 0 | -0.029 | 0.135 | 57.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | C | 312 | VAL | 0 | 0.070 | -0.103 | 54.927 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | C | 312 | VAL | 0 | -0.139 | 0.087 | 53.230 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | C | 313 | SER | 0 | 0.057 | -0.099 | 54.585 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | C | 313 | SER | 0 | -0.059 | 0.058 | 54.486 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | C | 314 | SER | 0 | 0.037 | -0.071 | 50.882 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | C | 314 | SER | 0 | -0.006 | 0.081 | 50.291 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | C | 315 | MET | 0 | 0.034 | -0.104 | 49.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | C | 315 | MET | 0 | -0.069 | 0.109 | 49.251 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | C | 316 | CYS | 0 | 0.002 | -0.111 | 49.727 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | C | 317 | ARG | 0 | 0.096 | -0.072 | 48.328 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | C | 317 | ARG | 1 | 0.770 | 0.981 | 48.766 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | C | 318 | GLU | 0 | 0.108 | -0.076 | 46.894 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | C | 318 | GLU | -1 | -0.953 | -0.815 | 44.473 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | C | 319 | ALA | 0 | 0.075 | -0.123 | 48.058 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | C | 319 | ALA | 0 | -0.083 | 0.107 | 50.368 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | C | 320 | GLY | 0 | 0.004 | -0.117 | 50.642 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | C | 321 | LEU | 0 | -0.003 | -0.026 | 53.165 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | C | 321 | LEU | 0 | -0.040 | 0.138 | 55.201 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | C | 322 | TRP | 0 | 0.063 | -0.120 | 56.667 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | C | 322 | TRP | 0 | -0.120 | 0.076 | 58.945 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | C | 323 | SER | 0 | 0.059 | -0.050 | 59.906 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | C | 323 | SER | 0 | -0.055 | 0.049 | 62.809 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | C | 324 | GLU | 0 | 0.032 | -0.110 | 62.884 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | C | 324 | GLU | -1 | -0.914 | -0.820 | 64.778 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | C | 325 | TRP | 0 | 0.032 | -0.093 | 66.198 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | C | 325 | TRP | 0 | -0.075 | 0.089 | 66.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | C | 326 | SER | 0 | 0.076 | -0.056 | 68.801 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | C | 326 | SER | 0 | 0.006 | 0.097 | 70.423 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | C | 327 | GLN | 0 | 0.065 | -0.101 | 71.184 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | C | 327 | GLN | 0 | -0.070 | 0.100 | 74.179 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | C | 328 | PRO | 0 | -0.028 | -0.117 | 74.773 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | C | 329 | ILE | 0 | 0.100 | 0.014 | 76.811 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | C | 329 | ILE | 0 | -0.128 | 0.126 | 75.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | C | 330 | TYR | 0 | 0.111 | -0.102 | 78.699 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | C | 330 | TYR | 0 | -0.160 | 0.052 | 80.362 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | C | 331 | VAL | 0 | 0.020 | -0.107 | 81.718 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | C | 331 | VAL | 0 | -0.036 | 0.129 | 80.785 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | C | 332 | GLY | 0 | 0.075 | -0.067 | 83.404 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | C | 333 | ASN | 0 | -0.080 | -0.040 | 85.984 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | C | 333 | ASN | 0 | -0.016 | -0.015 | 88.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |