FMODB ID: JM5M9
Calculation Name: 7CH5-HLR-Xray189
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 7CH5
Chain ID: HLR
Base Structure: X-ray
Registration Date: 2021-01-28
Reference: K. Fukuzawa, K. Kato, C. Watanabe et. Al., Special Features of COVID-19 in the FMODB: Fragment Molecular Orbital Calculations and Interaction Energy Analysis of SARS-CoV-2-Related Proteins. J. Chem. Inf. Model. 2021, 61, 9, 4594-4612.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Manual calculation |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 606 |
LigandCharge | None |
Software | MIZUHO/ABINIT-MP 4.0(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -12250590.686558 |
---|---|
FMO2-HF: Nuclear repulsion | 12015129.217897 |
FMO2-HF: Total energy | -235461.468661 |
FMO2-MP2: Total energy | -236149.266722 |
3D Structure
Ligand structure
Ligand Interaction
Antigen and antibody binding energy (frag 1-426 : frag 427-606)
"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. |
-649.9665 | -634.1004 | 303.3279 | -132.6029 | -186.5911 | 0.1051 |
Interactive mode: IFIE and PIEDA for fragment #1(H:1:GLU )
Summations of interaction energy for
fragment #1(H: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. |
-108.065 | -101.974 | 1.247 | -3.264 | -4.073 | 0.036 |
Interaction energy analysis for fragmet #1(H: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]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | H | 3 | GLN | 0 | -0.023 | -0.017 | 3.617 | -10.755 | -9.088 | 0.051 | -0.787 | -0.931 | 0.006 |
4 | H | 4 | LEU | 0 | -0.013 | -0.015 | 5.871 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | H | 5 | VAL | 0 | 0.000 | 0.006 | 9.172 | -1.303 | -1.303 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | H | 6 | GLU | -1 | -0.770 | -0.886 | 11.542 | 19.830 | 19.830 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | H | 7 | SER | 0 | -0.047 | -0.028 | 15.220 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | H | 8 | GLY | 0 | 0.046 | 0.012 | 18.123 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | H | 9 | GLY | 0 | -0.005 | 0.007 | 21.295 | -0.455 | -0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | H | 10 | GLY | 0 | -0.016 | -0.014 | 22.950 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | H | 11 | LEU | 0 | -0.068 | -0.025 | 25.934 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | H | 12 | ILE | 0 | -0.026 | -0.002 | 29.627 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | H | 13 | GLN | 0 | 0.077 | 0.040 | 31.773 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | H | 14 | PRO | 0 | 0.012 | -0.013 | 34.960 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | H | 15 | GLY | 0 | -0.029 | -0.012 | 36.482 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | H | 16 | GLY | 0 | -0.023 | -0.006 | 34.571 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | H | 17 | SER | 0 | -0.027 | -0.040 | 31.634 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | H | 18 | LEU | 0 | -0.024 | -0.008 | 25.570 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | H | 19 | ARG | 1 | 0.866 | 0.930 | 23.009 | -13.450 | -13.450 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | H | 20 | LEU | 0 | -0.002 | 0.017 | 20.512 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | H | 21 | SER | 0 | 0.018 | -0.009 | 17.879 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | H | 95 | CYS | 0 | -0.113 | -0.040 | 14.067 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | H | 23 | ALA | 0 | 0.021 | 0.031 | 11.348 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | H | 24 | ALA | 0 | 0.025 | 0.004 | 8.955 | 0.542 | 0.542 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | H | 25 | SER | 0 | -0.021 | -0.001 | 3.822 | -5.650 | -5.158 | 0.004 | -0.173 | -0.322 | 0.001 |
26 | H | 26 | GLU | -1 | -0.696 | -0.818 | 2.577 | 38.990 | 42.818 | 1.192 | -2.262 | -2.758 | 0.029 |
27 | H | 27 | PHE | 0 | -0.026 | -0.012 | 4.586 | -8.072 | -7.968 | 0.000 | -0.042 | -0.062 | 0.000 |
28 | H | 28 | ILE | 0 | 0.041 | 0.037 | 7.963 | -1.479 | -1.479 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | H | 29 | VAL | 0 | 0.018 | 0.007 | 11.055 | -2.220 | -2.220 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | H | 30 | SER | 0 | -0.060 | -0.034 | 13.661 | -1.208 | -1.208 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | H | 31 | ARG | 1 | 0.902 | 0.968 | 13.582 | -21.529 | -21.529 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | H | 32 | ASN | 0 | 0.001 | -0.019 | 11.332 | -0.662 | -0.662 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | H | 33 | TYR | 0 | -0.035 | -0.021 | 15.099 | -1.190 | -1.190 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | H | 34 | MET | 0 | -0.045 | -0.011 | 12.611 | 1.721 | 1.721 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | H | 35 | SER | 0 | 0.039 | -0.024 | 16.974 | -1.545 | -1.545 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | H | 36 | TRP | 0 | -0.021 | -0.002 | 18.137 | 0.988 | 0.988 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | H | 37 | VAL | 0 | -0.005 | -0.001 | 19.459 | -0.767 | -0.767 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | H | 38 | ARG | 1 | 0.772 | 0.862 | 20.405 | -10.491 | -10.491 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | H | 39 | GLN | 0 | 0.038 | 0.028 | 21.127 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | H | 40 | ALA | 0 | 0.043 | 0.032 | 23.907 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | H | 41 | PRO | 0 | 0.003 | -0.016 | 26.418 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | H | 42 | GLY | 0 | 0.014 | 0.013 | 26.792 | -0.342 | -0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | H | 43 | LYS | 1 | 0.878 | 0.946 | 27.605 | -9.676 | -9.676 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | H | 44 | GLY | 0 | 0.076 | 0.035 | 26.131 | 0.325 | 0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | H | 45 | LEU | 0 | -0.042 | -0.013 | 20.699 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | H | 46 | GLU | -1 | -0.768 | -0.850 | 24.500 | 10.293 | 10.293 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | H | 47 | TRP | 0 | 0.010 | -0.001 | 22.439 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | H | 48 | VAL | 0 | -0.019 | -0.004 | 23.821 | -0.531 | -0.531 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | H | 49 | SER | 0 | -0.014 | -0.031 | 23.925 | -0.439 | -0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | H | 50 | VAL | 0 | -0.025 | 0.009 | 20.628 | 0.649 | 0.649 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | H | 51 | ILE | 0 | -0.006 | 0.001 | 19.168 | -0.701 | -0.701 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | H | 52 | TYR | 0 | -0.003 | -0.042 | 20.014 | 0.781 | 0.781 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | H | 53 | SER | 0 | -0.023 | -0.009 | 18.328 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | H | 54 | GLY | 0 | 0.028 | 0.023 | 19.598 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | H | 55 | GLY | 0 | -0.039 | -0.017 | 22.531 | -0.406 | -0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | H | 56 | SER | 0 | -0.029 | -0.023 | 23.833 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | H | 57 | THR | 0 | -0.023 | -0.010 | 24.316 | 0.457 | 0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | H | 58 | TYR | 0 | -0.002 | -0.010 | 25.925 | -0.439 | -0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | H | 59 | TYR | 0 | 0.028 | 0.024 | 26.527 | 0.585 | 0.585 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | H | 60 | ALA | 0 | 0.076 | 0.044 | 28.690 | -0.413 | -0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | H | 61 | ASP | -1 | -0.859 | -0.941 | 30.370 | 9.301 | 9.301 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | H | 62 | SER | 0 | -0.022 | -0.006 | 30.642 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | H | 63 | VAL | 0 | -0.013 | -0.010 | 28.424 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | H | 64 | LYS | 1 | 0.849 | 0.919 | 31.776 | -9.602 | -9.602 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | H | 65 | GLY | 0 | -0.014 | -0.002 | 33.495 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | H | 66 | ARG | 1 | 0.724 | 0.836 | 32.230 | -9.745 | -9.745 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | H | 67 | PHE | 0 | 0.017 | -0.006 | 27.107 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | H | 68 | THR | 0 | -0.036 | -0.022 | 27.336 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | H | 69 | ILE | 0 | 0.004 | 0.016 | 20.556 | 0.337 | 0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | H | 70 | SER | 0 | -0.020 | -0.018 | 22.262 | -0.373 | -0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | H | 71 | ARG | 1 | 0.847 | 0.910 | 17.635 | -16.247 | -16.247 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | H | 72 | ASP | -1 | -0.763 | -0.840 | 18.167 | 15.721 | 15.721 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | H | 73 | ASN | 0 | 0.038 | -0.012 | 16.658 | 1.364 | 1.364 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | H | 74 | SER | 0 | -0.081 | -0.045 | 15.964 | 0.775 | 0.775 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | H | 75 | LYS | 1 | 0.881 | 0.924 | 14.722 | -16.065 | -16.065 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | H | 76 | ASN | 0 | 0.016 | 0.020 | 9.378 | -1.685 | -1.685 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | H | 77 | THR | 0 | -0.008 | -0.008 | 12.558 | 1.191 | 1.191 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | H | 78 | LEU | 0 | 0.000 | 0.001 | 15.164 | -1.325 | -1.325 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | H | 79 | ASN | 0 | -0.023 | -0.026 | 16.928 | -0.593 | -0.593 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | H | 80 | LEU | 0 | 0.018 | 0.010 | 20.443 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | H | 81 | GLN | 0 | -0.002 | 0.012 | 23.379 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | H | 82 | MET | 0 | -0.019 | -0.005 | 25.559 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | H | 83 | ASN | 0 | 0.086 | 0.044 | 28.866 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | H | 84 | SER | 0 | 0.011 | 0.006 | 32.664 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | H | 85 | LEU | 0 | -0.011 | 0.013 | 29.236 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | H | 86 | ARG | 1 | 0.911 | 0.940 | 33.248 | -8.965 | -8.965 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | H | 87 | ALA | 0 | 0.046 | 0.023 | 33.012 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | H | 88 | GLU | -1 | -0.850 | -0.933 | 32.602 | 8.808 | 8.808 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | H | 89 | ASP | -1 | -0.761 | -0.821 | 29.344 | 10.175 | 10.175 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | H | 90 | THR | 0 | -0.009 | 0.009 | 28.080 | 0.480 | 0.480 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | H | 91 | ALA | 0 | -0.008 | -0.009 | 24.788 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | H | 92 | VAL | 0 | -0.005 | 0.008 | 19.104 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | H | 93 | TYR | 0 | -0.021 | -0.036 | 20.605 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | H | 94 | TYR | 0 | 0.013 | -0.012 | 15.453 | 0.594 | 0.594 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | H | 96 | ALA | 0 | 0.037 | 0.006 | 13.800 | 0.983 | 0.983 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | H | 97 | ARG | 1 | 0.775 | 0.847 | 10.176 | -28.011 | -28.011 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | H | 98 | ASP | -1 | -0.777 | -0.854 | 13.851 | 15.012 | 15.012 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | H | 99 | TYR | 0 | 0.021 | 0.009 | 15.200 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | H | 100 | GLY | 0 | 0.021 | -0.001 | 17.237 | -0.936 | -0.936 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | H | 101 | ASP | -1 | -0.783 | -0.869 | 19.983 | 12.046 | 12.046 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | H | 102 | TYR | 0 | -0.026 | -0.015 | 21.008 | -0.964 | -0.964 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | H | 103 | TYR | 0 | 0.048 | 0.019 | 17.055 | -0.849 | -0.849 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | H | 104 | PHE | 0 | 0.002 | 0.000 | 16.728 | 0.621 | 0.621 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | H | 105 | ASP | -1 | -0.763 | -0.875 | 13.135 | 24.108 | 24.108 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | H | 106 | TYR | 0 | -0.030 | -0.002 | 7.903 | 1.981 | 1.981 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | H | 107 | TRP | 0 | -0.016 | -0.018 | 10.804 | -1.289 | -1.289 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | H | 108 | GLY | 0 | 0.057 | 0.037 | 10.008 | 2.060 | 2.060 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | H | 109 | GLN | 0 | -0.065 | -0.034 | 11.129 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | H | 110 | GLY | 0 | -0.003 | -0.001 | 12.765 | -1.258 | -1.258 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | H | 111 | THR | 0 | -0.047 | -0.032 | 16.183 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | H | 112 | LEU | 0 | -0.018 | -0.002 | 18.936 | -0.337 | -0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | H | 113 | VAL | 0 | 0.016 | 0.010 | 22.453 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | H | 114 | THR | 0 | -0.052 | -0.033 | 25.528 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | H | 115 | VAL | 0 | 0.031 | 0.018 | 28.940 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | H | 116 | SER | 0 | -0.007 | -0.010 | 32.056 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | H | 117 | SER | 0 | 0.024 | 0.001 | 35.069 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | H | 118 | ALA | 0 | -0.026 | 0.009 | 36.605 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | H | 119 | SER | 0 | 0.027 | 0.009 | 36.146 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | H | 120 | THR | 0 | -0.013 | -0.015 | 32.221 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | H | 121 | LYS | 1 | 0.837 | 0.916 | 34.644 | -7.963 | -7.963 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | H | 122 | GLY | 0 | 0.043 | 0.025 | 34.388 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | H | 123 | PRO | 0 | -0.038 | -0.018 | 33.161 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | H | 124 | SER | 0 | 0.000 | 0.005 | 36.099 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | H | 125 | VAL | 0 | -0.004 | -0.001 | 35.938 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | H | 126 | PHE | 0 | 0.033 | 0.005 | 38.806 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | H | 127 | PRO | 0 | 0.017 | 0.011 | 40.507 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | H | 128 | LEU | 0 | -0.034 | -0.013 | 39.267 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | H | 129 | ALA | 0 | 0.056 | 0.019 | 42.372 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | H | 130 | PRO | 0 | 0.015 | 0.017 | 43.691 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | H | 131 | SER | 0 | 0.001 | -0.007 | 45.511 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | H | 132 | SER | 0 | -0.007 | -0.011 | 48.904 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | H | 133 | LYS | 1 | 0.923 | 0.960 | 46.637 | -6.254 | -6.254 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | H | 134 | SER | 0 | 0.043 | 0.040 | 51.650 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | H | 135 | THR | 0 | 0.021 | -0.005 | 49.621 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | H | 136 | SER | 0 | -0.047 | -0.022 | 50.003 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | H | 137 | GLY | 0 | 0.045 | 0.014 | 48.889 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | H | 138 | GLY | 0 | -0.010 | 0.005 | 47.139 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | H | 139 | THR | 0 | -0.070 | -0.026 | 41.690 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | H | 140 | ALA | 0 | -0.008 | -0.015 | 42.990 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | H | 141 | ALA | 0 | 0.017 | 0.026 | 40.230 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | H | 142 | LEU | 0 | -0.008 | 0.003 | 38.552 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | H | 143 | GLY | 0 | 0.048 | 0.003 | 37.506 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | H | 200 | CYS | 0 | -0.080 | -0.001 | 33.794 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | H | 145 | LEU | 0 | 0.028 | 0.030 | 36.421 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | H | 146 | VAL | 0 | -0.017 | -0.010 | 32.832 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | H | 147 | LYS | 1 | 0.904 | 0.921 | 35.707 | -7.060 | -7.060 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | H | 148 | ASP | -1 | -0.800 | -0.871 | 38.111 | 7.347 | 7.347 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | H | 149 | TYR | 0 | -0.039 | -0.041 | 29.977 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | H | 150 | PHE | 0 | 0.043 | 0.026 | 32.809 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | H | 151 | PRO | 0 | 0.044 | 0.030 | 28.649 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | H | 152 | GLU | -1 | -0.778 | -0.874 | 26.737 | 10.259 | 10.259 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | H | 153 | PRO | 0 | -0.029 | -0.015 | 22.885 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | H | 154 | VAL | 0 | -0.020 | -0.023 | 25.957 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | H | 155 | THR | 0 | -0.058 | -0.013 | 23.240 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | H | 156 | VAL | 0 | 0.026 | -0.003 | 26.405 | -0.273 | -0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | H | 157 | SER | 0 | -0.037 | -0.005 | 26.908 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | H | 158 | TRP | 0 | 0.064 | 0.025 | 28.927 | -0.375 | -0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | H | 159 | ASN | 0 | -0.005 | -0.014 | 30.998 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | H | 160 | SER | 0 | -0.003 | -0.011 | 29.883 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | H | 161 | GLY | 0 | -0.009 | 0.000 | 26.906 | 0.327 | 0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | H | 162 | ALA | 0 | -0.028 | -0.006 | 27.661 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | H | 163 | LEU | 0 | -0.031 | -0.009 | 30.134 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | H | 164 | THR | 0 | 0.011 | -0.007 | 25.941 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | H | 165 | SER | 0 | -0.006 | -0.005 | 28.982 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | H | 166 | GLY | 0 | 0.047 | 0.018 | 31.031 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | H | 167 | VAL | 0 | -0.035 | -0.007 | 29.804 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | H | 168 | HIS | 0 | -0.034 | -0.019 | 30.028 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | H | 169 | THR | 0 | 0.018 | 0.006 | 28.364 | -0.366 | -0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | H | 170 | PHE | 0 | -0.036 | -0.001 | 29.367 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | H | 171 | PRO | 0 | 0.006 | 0.009 | 28.265 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | H | 172 | ALA | 0 | 0.007 | 0.008 | 29.714 | -0.349 | -0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | H | 173 | VAL | 0 | 0.001 | -0.003 | 31.733 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | H | 174 | LEU | 0 | -0.054 | -0.019 | 34.030 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | H | 175 | GLN | 0 | -0.012 | -0.004 | 35.884 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | H | 176 | SER | 0 | 0.031 | -0.001 | 39.603 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | H | 177 | SER | 0 | -0.016 | -0.003 | 41.277 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | H | 178 | GLY | 0 | 0.017 | 0.011 | 38.460 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | H | 179 | LEU | 0 | -0.066 | -0.018 | 36.456 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | H | 180 | TYR | 0 | 0.034 | -0.001 | 30.570 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | H | 181 | SER | 0 | -0.010 | -0.013 | 34.700 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | H | 182 | LEU | 0 | -0.019 | 0.012 | 30.210 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | H | 183 | SER | 0 | 0.052 | 0.016 | 34.430 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | H | 184 | SER | 0 | -0.032 | -0.019 | 31.293 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | H | 185 | VAL | 0 | 0.027 | 0.000 | 33.717 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | H | 186 | VAL | 0 | 0.019 | 0.009 | 34.055 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | H | 187 | THR | 0 | -0.019 | 0.003 | 35.814 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | H | 188 | VAL | 0 | 0.007 | 0.003 | 37.250 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | H | 189 | PRO | 0 | 0.052 | 0.015 | 39.632 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | H | 190 | SER | 0 | 0.015 | -0.006 | 42.815 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | H | 191 | SER | 0 | 0.012 | 0.006 | 45.855 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | H | 192 | SER | 0 | -0.002 | 0.002 | 41.164 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | H | 193 | LEU | 0 | -0.002 | -0.002 | 43.292 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | H | 194 | GLY | 0 | 0.002 | 0.011 | 45.368 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | H | 195 | THR | 0 | -0.037 | -0.016 | 44.919 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | H | 196 | GLN | 0 | -0.007 | 0.006 | 38.815 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | H | 197 | THR | 0 | 0.005 | 0.008 | 40.256 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | H | 198 | TYR | 0 | 0.004 | 0.001 | 37.181 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | H | 199 | ILE | 0 | 0.024 | 0.000 | 35.873 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | H | 201 | ASN | 0 | 0.018 | -0.012 | 30.288 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | H | 202 | VAL | 0 | 0.005 | 0.003 | 30.265 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | H | 203 | ASN | 0 | -0.042 | -0.027 | 25.975 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | H | 204 | HIS | 1 | 0.855 | 0.898 | 27.971 | -9.461 | -9.461 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | H | 205 | LYS | 1 | 1.026 | 0.999 | 20.972 | -13.323 | -13.323 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | H | 206 | PRO | 0 | 0.011 | 0.015 | 26.417 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | H | 207 | SER | 0 | 0.014 | 0.005 | 28.500 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | H | 208 | ASN | 0 | -0.039 | -0.019 | 29.927 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | H | 209 | THR | 0 | 0.006 | 0.032 | 30.931 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | H | 210 | LYS | 1 | 0.949 | 0.968 | 28.111 | -10.011 | -10.011 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | H | 211 | VAL | 0 | 0.011 | 0.003 | 32.741 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | H | 212 | ASP | -1 | -0.832 | -0.888 | 33.925 | 8.907 | 8.907 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | H | 213 | LYS | 1 | 0.785 | 0.869 | 36.160 | -7.296 | -7.296 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | H | 214 | LYS | 1 | 0.849 | 0.914 | 38.331 | -6.533 | -6.533 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | H | 215 | VAL | 0 | -0.042 | -0.022 | 39.294 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | H | 216 | GLU | -1 | -0.815 | -0.900 | 41.820 | 6.554 | 6.554 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | H | 217 | PRO | 0 | -0.016 | 0.000 | 45.139 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | L | 1 | GLU | -1 | -0.923 | -0.983 | 33.285 | 9.470 | 9.470 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | L | 2 | ILE | 0 | -0.089 | -0.022 | 32.457 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | L | 3 | VAL | 0 | 0.048 | 0.040 | 32.831 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | L | 4 | LEU | 0 | -0.004 | -0.009 | 28.418 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | L | 5 | THR | 0 | -0.004 | -0.008 | 32.188 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | L | 6 | GLN | 0 | 0.008 | -0.014 | 27.144 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | L | 7 | SER | 0 | -0.024 | 0.008 | 32.306 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | L | 8 | PRO | 0 | 0.043 | 0.012 | 33.018 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | L | 9 | GLY | 0 | 0.061 | 0.027 | 32.501 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | L | 10 | THR | 0 | -0.012 | -0.016 | 31.374 | 0.366 | 0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | L | 11 | LEU | 0 | -0.013 | -0.006 | 30.118 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | L | 12 | SER | 0 | 0.033 | 0.022 | 31.239 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | L | 13 | LEU | 0 | -0.052 | -0.028 | 30.915 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | L | 14 | SER | 0 | 0.048 | 0.027 | 31.611 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | L | 15 | PRO | 0 | 0.010 | -0.001 | 28.152 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | L | 16 | GLY | 0 | 0.006 | -0.002 | 29.130 | -0.315 | -0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | L | 17 | GLU | -1 | -0.802 | -0.870 | 30.904 | 8.150 | 8.150 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | L | 18 | ARG | 1 | 0.948 | 0.983 | 30.551 | -8.854 | -8.854 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | L | 19 | ALA | 0 | 0.024 | 0.015 | 28.392 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | L | 20 | THR | 0 | -0.065 | -0.059 | 30.336 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | L | 21 | LEU | 0 | 0.016 | 0.032 | 26.628 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | L | 22 | SER | 0 | 0.003 | 0.001 | 30.651 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | L | 88 | CYS | 0 | -0.070 | -0.016 | 23.455 | 0.420 | 0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | L | 24 | ARG | 1 | 0.834 | 0.891 | 31.801 | -8.164 | -8.164 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | L | 25 | ALA | 0 | 0.028 | 0.011 | 33.247 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | L | 26 | SER | 0 | -0.010 | 0.002 | 34.860 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | L | 27 | GLN | 0 | 0.021 | 0.011 | 36.952 | -0.392 | -0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | L | 28 | GLY | 0 | -0.020 | -0.012 | 36.177 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | L | 29 | VAL | 0 | 0.015 | 0.004 | 31.072 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | L | 30 | SER | 0 | -0.042 | -0.029 | 31.713 | 0.404 | 0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | L | 31 | SER | 0 | 0.084 | 0.031 | 29.022 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | L | 32 | PHE | 0 | -0.031 | -0.001 | 27.260 | 0.380 | 0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | L | 33 | LEU | 0 | 0.001 | -0.004 | 26.529 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | L | 34 | ALA | 0 | -0.011 | -0.003 | 21.119 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | L | 35 | TRP | 0 | 0.001 | -0.008 | 21.808 | -0.588 | -0.588 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | L | 36 | TYR | 0 | 0.009 | -0.012 | 17.311 | 0.974 | 0.974 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | L | 37 | GLN | 0 | 0.019 | 0.019 | 17.475 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | L | 38 | GLN | 0 | 0.007 | -0.009 | 17.379 | 0.394 | 0.394 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | L | 39 | LYS | 1 | 0.875 | 0.943 | 17.203 | -14.958 | -14.958 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | L | 40 | PRO | 0 | 0.033 | -0.002 | 18.926 | 0.332 | 0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | L | 41 | GLY | 0 | -0.004 | 0.004 | 19.517 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | L | 42 | GLN | 0 | -0.045 | -0.005 | 13.467 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | L | 43 | ALA | 0 | 0.077 | 0.042 | 12.990 | -0.755 | -0.755 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | L | 44 | PRO | 0 | -0.058 | -0.026 | 14.890 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | L | 45 | ARG | 1 | 0.931 | 0.960 | 12.398 | -16.948 | -16.948 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | L | 46 | LEU | 0 | -0.010 | -0.003 | 14.332 | -1.112 | -1.112 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | L | 47 | LEU | 0 | -0.042 | -0.010 | 15.559 | 0.547 | 0.547 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | L | 48 | ILE | 0 | 0.000 | -0.004 | 18.287 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | L | 49 | HIS | 0 | -0.002 | 0.002 | 18.547 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | L | 50 | GLY | 0 | 0.068 | 0.031 | 21.962 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | L | 51 | ALA | 0 | -0.017 | -0.020 | 25.151 | -0.375 | -0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | L | 52 | SER | 0 | -0.069 | -0.034 | 25.532 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | L | 53 | SER | 0 | 0.005 | 0.021 | 21.506 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | L | 54 | ARG | 1 | 0.902 | 0.952 | 19.028 | -13.293 | -13.293 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | L | 55 | ALA | 0 | 0.005 | 0.010 | 15.063 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | L | 56 | THR | 0 | 0.030 | -0.013 | 10.702 | -1.173 | -1.173 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | L | 57 | GLY | 0 | 0.016 | 0.016 | 12.645 | 0.855 | 0.855 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | L | 58 | ILE | 0 | -0.083 | -0.018 | 13.673 | -0.510 | -0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | L | 59 | PRO | 0 | 0.016 | 0.008 | 16.633 | -0.375 | -0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | L | 60 | ASP | -1 | -0.890 | -0.973 | 19.405 | 12.510 | 12.510 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | L | 61 | ARG | 1 | 0.751 | 0.848 | 20.041 | -13.389 | -13.389 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | L | 62 | PHE | 0 | -0.010 | 0.007 | 19.992 | -0.382 | -0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | L | 63 | SER | 0 | 0.007 | -0.005 | 23.518 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | L | 64 | GLY | 0 | 0.019 | 0.013 | 25.935 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | L | 65 | SER | 0 | -0.035 | -0.027 | 27.223 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | L | 66 | GLY | 0 | 0.040 | 0.026 | 30.780 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | L | 67 | SER | 0 | 0.004 | -0.014 | 32.024 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | L | 68 | GLY | 0 | -0.012 | 0.007 | 33.998 | -0.303 | -0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | L | 69 | THR | 0 | -0.010 | -0.028 | 34.912 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | L | 70 | ASP | -1 | -0.798 | -0.833 | 35.506 | 8.144 | 8.144 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | L | 71 | PHE | 0 | 0.002 | 0.001 | 30.087 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | L | 72 | THR | 0 | -0.005 | -0.009 | 31.027 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | L | 73 | LEU | 0 | -0.015 | 0.006 | 23.589 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | L | 74 | THR | 0 | -0.031 | -0.028 | 27.606 | -0.472 | -0.472 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | L | 75 | ILE | 0 | 0.027 | 0.024 | 24.367 | 0.393 | 0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | L | 76 | THR | 0 | -0.013 | -0.021 | 26.831 | -0.372 | -0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | L | 77 | ARG | 1 | 0.895 | 0.942 | 27.466 | -9.738 | -9.738 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | L | 78 | LEU | 0 | -0.035 | -0.002 | 25.894 | 0.416 | 0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | L | 79 | GLU | -1 | -0.819 | -0.906 | 22.654 | 10.763 | 10.763 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | L | 80 | PRO | 0 | 0.018 | 0.000 | 23.248 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | L | 81 | GLU | -1 | -0.848 | -0.908 | 18.074 | 13.365 | 13.365 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | L | 82 | ASP | -1 | -0.755 | -0.850 | 19.830 | 13.500 | 13.500 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | L | 83 | PHE | 0 | -0.022 | 0.015 | 22.140 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | L | 84 | ALA | 0 | -0.020 | -0.022 | 20.952 | 0.414 | 0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | L | 85 | VAL | 0 | -0.015 | 0.005 | 22.380 | -0.559 | -0.559 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | L | 86 | TYR | 0 | -0.012 | -0.025 | 21.823 | 0.879 | 0.879 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | L | 87 | TYR | 0 | 0.012 | 0.013 | 21.762 | -0.673 | -0.673 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | L | 89 | GLN | 0 | 0.016 | 0.004 | 22.093 | 0.511 | 0.511 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | L | 90 | GLN | 0 | 0.029 | 0.018 | 25.376 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | L | 91 | TYR | 0 | -0.008 | -0.006 | 23.889 | 0.373 | 0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | L | 92 | GLY | 0 | 0.024 | 0.025 | 27.305 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | L | 93 | SER | 0 | 0.000 | -0.018 | 30.663 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | L | 94 | SER | 0 | -0.037 | -0.006 | 31.911 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | L | 95 | PRO | 0 | 0.061 | 0.018 | 30.019 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | L | 96 | ARG | 1 | 0.757 | 0.851 | 21.334 | -14.195 | -14.195 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | L | 97 | THR | 0 | -0.003 | -0.009 | 26.636 | 0.397 | 0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | L | 98 | PHE | 0 | 0.012 | -0.015 | 21.212 | 0.312 | 0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | L | 99 | GLY | 0 | 0.017 | 0.008 | 26.825 | -0.428 | -0.428 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | L | 100 | GLN | 0 | -0.085 | -0.059 | 27.510 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | L | 101 | GLY | 0 | 0.007 | 0.010 | 26.918 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | L | 102 | THR | 0 | -0.047 | -0.027 | 27.097 | -0.338 | -0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | L | 103 | LYS | 1 | 0.831 | 0.911 | 26.238 | -10.019 | -10.019 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | L | 104 | VAL | 0 | 0.004 | 0.001 | 26.289 | -0.391 | -0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | L | 105 | GLU | -1 | -0.870 | -0.893 | 26.954 | 9.023 | 9.023 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | L | 106 | ILE | 0 | 0.021 | 0.001 | 26.626 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | L | 107 | LYS | 1 | 0.816 | 0.902 | 30.560 | -8.297 | -8.297 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | L | 108 | ARG | 1 | 0.849 | 0.917 | 34.184 | -7.901 | -7.901 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | L | 109 | THR | 0 | 0.014 | 0.000 | 36.179 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | L | 110 | VAL | 0 | 0.001 | 0.014 | 39.065 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | L | 111 | ALA | 0 | -0.016 | -0.004 | 39.018 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | L | 112 | ALA | 0 | 0.033 | 0.014 | 41.138 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | L | 113 | PRO | 0 | -0.030 | 0.011 | 41.230 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | L | 114 | SER | 0 | 0.005 | 0.003 | 41.023 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | L | 115 | VAL | 0 | -0.012 | -0.009 | 42.350 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | L | 116 | PHE | 0 | -0.019 | -0.025 | 41.826 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | L | 117 | ILE | 0 | -0.018 | -0.004 | 44.597 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | L | 118 | PHE | 0 | -0.018 | -0.010 | 41.670 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | L | 119 | PRO | 0 | 0.018 | 0.015 | 46.266 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | L | 120 | PRO | 0 | 0.006 | 0.011 | 46.802 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | L | 121 | SER | 0 | 0.030 | 0.014 | 45.705 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | L | 122 | ASP | -1 | -0.780 | -0.918 | 47.712 | 5.774 | 5.774 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | L | 123 | GLU | -1 | -0.873 | -0.910 | 44.736 | 6.765 | 6.765 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | L | 124 | GLN | 0 | 0.022 | 0.007 | 44.652 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | L | 125 | LEU | 0 | 0.047 | 0.039 | 47.172 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | L | 126 | LYS | 1 | 0.833 | 0.907 | 50.572 | -6.023 | -6.023 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | L | 127 | SER | 0 | -0.075 | -0.041 | 47.195 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | L | 128 | GLY | 0 | 0.017 | 0.007 | 49.230 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | L | 129 | THR | 0 | -0.041 | -0.018 | 45.867 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | L | 130 | ALA | 0 | -0.013 | -0.002 | 48.484 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | L | 131 | SER | 0 | -0.029 | -0.013 | 43.668 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | L | 132 | VAL | 0 | -0.010 | 0.013 | 45.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | L | 133 | VAL | 0 | 0.011 | 0.013 | 40.468 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | L | 194 | CYS | 0 | -0.070 | -0.022 | 43.083 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | L | 135 | LEU | 0 | -0.024 | 0.003 | 37.578 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | L | 136 | LEU | 0 | 0.019 | 0.006 | 39.971 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | L | 137 | ASN | 0 | -0.040 | -0.044 | 35.622 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | L | 138 | ASN | 0 | 0.063 | 0.020 | 35.101 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | L | 139 | PHE | 0 | -0.029 | -0.002 | 36.931 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | L | 140 | TYR | 0 | 0.018 | -0.026 | 34.143 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | L | 141 | PRO | 0 | 0.045 | 0.031 | 37.419 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | L | 142 | ARG | 1 | 0.916 | 0.956 | 31.411 | -8.914 | -8.914 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | L | 143 | GLU | -1 | -0.899 | -0.947 | 36.895 | 7.524 | 7.524 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | L | 144 | ALA | 0 | 0.002 | -0.005 | 40.096 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | L | 145 | LYS | 1 | 0.823 | 0.925 | 42.426 | -6.087 | -6.087 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | L | 146 | VAL | 0 | 0.041 | 0.006 | 42.825 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | L | 147 | GLN | 0 | -0.004 | 0.002 | 45.741 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | L | 148 | TRP | 0 | 0.024 | 0.008 | 44.908 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | L | 149 | LYS | 1 | 0.864 | 0.923 | 50.299 | -5.599 | -5.599 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | L | 150 | VAL | 0 | 0.001 | 0.002 | 53.478 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | L | 151 | ASP | -1 | -0.768 | -0.884 | 55.946 | 5.079 | 5.079 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | L | 152 | ASN | 0 | -0.031 | -0.031 | 58.104 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | L | 153 | ALA | 0 | 0.017 | 0.035 | 58.315 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | L | 154 | LEU | 0 | -0.013 | -0.015 | 54.368 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | L | 155 | GLN | 0 | -0.045 | -0.026 | 51.267 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | L | 156 | SER | 0 | 0.021 | 0.000 | 49.799 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | L | 157 | GLY | 0 | 0.003 | 0.012 | 47.833 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | L | 158 | ASN | 0 | 0.016 | 0.004 | 47.565 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | L | 159 | SER | 0 | -0.002 | -0.005 | 44.981 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | L | 160 | GLN | 0 | -0.015 | -0.006 | 39.384 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | L | 161 | GLU | -1 | -0.885 | -0.957 | 39.247 | 7.176 | 7.176 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | L | 162 | SER | 0 | -0.033 | -0.015 | 33.128 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | L | 163 | VAL | 0 | 0.000 | -0.005 | 33.391 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | L | 164 | THR | 0 | -0.018 | -0.014 | 29.845 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | L | 165 | GLU | -1 | -0.793 | -0.907 | 25.171 | 10.505 | 10.505 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | L | 166 | GLN | 0 | -0.040 | -0.011 | 27.907 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | L | 167 | ASP | -1 | -0.814 | -0.899 | 27.002 | 10.032 | 10.032 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | L | 168 | SER | 0 | -0.018 | -0.021 | 23.638 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | L | 169 | LYS | 1 | 0.903 | 0.957 | 26.236 | -10.100 | -10.100 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | L | 170 | ASP | -1 | -0.803 | -0.882 | 28.925 | 8.386 | 8.386 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | L | 171 | SER | 0 | -0.021 | -0.003 | 29.947 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | L | 172 | THR | 0 | -0.095 | -0.052 | 31.235 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | L | 173 | TYR | 0 | -0.034 | -0.050 | 30.487 | 0.427 | 0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | L | 174 | SER | 0 | 0.071 | 0.045 | 33.478 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | L | 175 | LEU | 0 | -0.048 | -0.020 | 34.656 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | L | 176 | SER | 0 | 0.000 | -0.001 | 36.889 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | L | 177 | SER | 0 | 0.045 | 0.026 | 38.546 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | L | 178 | THR | 0 | -0.017 | -0.018 | 40.138 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | L | 179 | LEU | 0 | -0.001 | 0.012 | 42.713 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | L | 180 | THR | 0 | -0.013 | -0.018 | 44.297 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | L | 181 | LEU | 0 | -0.034 | -0.008 | 46.809 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | L | 182 | SER | 0 | 0.045 | -0.002 | 49.776 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | L | 183 | LYS | 1 | 0.883 | 0.909 | 52.191 | -5.525 | -5.525 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | L | 184 | ALA | 0 | 0.057 | 0.025 | 53.846 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | L | 185 | ASP | -1 | -0.835 | -0.891 | 54.475 | 5.389 | 5.389 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | L | 186 | TYR | 0 | 0.036 | 0.020 | 52.362 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | L | 187 | GLU | -1 | -0.834 | -0.914 | 54.859 | 5.363 | 5.363 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | L | 188 | LYS | 1 | 0.807 | 0.909 | 58.062 | -5.304 | -5.304 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | L | 189 | HIS | 1 | 0.873 | 0.947 | 56.941 | -5.352 | -5.352 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | L | 190 | LYS | 1 | 0.806 | 0.895 | 59.301 | -4.970 | -4.970 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | L | 191 | VAL | 0 | -0.014 | -0.008 | 56.722 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | L | 192 | TYR | 0 | 0.001 | -0.002 | 51.968 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | L | 193 | ALA | 0 | 0.019 | -0.015 | 52.389 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | L | 195 | GLU | -1 | -0.826 | -0.903 | 49.493 | 5.691 | 5.691 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | L | 196 | VAL | 0 | 0.030 | 0.008 | 44.781 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | L | 197 | THR | 0 | -0.008 | -0.016 | 47.079 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | L | 198 | HIS | 0 | 0.014 | -0.011 | 40.557 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | L | 199 | GLN | 0 | 0.062 | 0.030 | 43.341 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | L | 200 | GLY | 0 | -0.003 | -0.008 | 44.679 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | L | 201 | LEU | 0 | -0.076 | -0.032 | 45.747 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | L | 202 | SER | 0 | 0.025 | 0.014 | 48.863 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | L | 203 | SER | 0 | -0.016 | -0.010 | 52.175 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | L | 204 | PRO | 0 | -0.017 | -0.005 | 50.825 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | L | 205 | VAL | 0 | 0.044 | 0.030 | 48.731 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | L | 206 | THR | 0 | -0.003 | -0.004 | 49.886 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | L | 207 | LYS | 1 | 0.877 | 0.955 | 48.145 | -6.079 | -6.079 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | L | 208 | SER | 0 | 0.019 | -0.007 | 51.140 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | L | 209 | PHE | 0 | -0.001 | 0.007 | 49.948 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | L | 210 | ASN | 0 | -0.014 | -0.018 | 54.323 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | L | 211 | ARG | 1 | 0.862 | 0.933 | 55.437 | -5.226 | -5.226 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | L | 212 | GLY | 0 | -0.034 | -0.005 | 56.749 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | L | 213 | GLU | -1 | -0.773 | -0.862 | 56.221 | 5.110 | 5.110 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | R | 334 | ASN | 0 | 0.001 | -0.005 | 61.250 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | R | 335 | LEU | 0 | 0.047 | 0.027 | 60.291 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | R | 361 | CYS | 0 | -0.046 | -0.003 | 55.583 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | R | 337 | PRO | 0 | 0.025 | 0.027 | 53.243 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | R | 338 | PHE | 0 | 0.022 | -0.013 | 52.329 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | R | 339 | GLY | 0 | 0.016 | 0.008 | 52.039 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | R | 340 | GLU | -1 | -0.832 | -0.917 | 51.006 | 6.288 | 6.288 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | R | 341 | VAL | 0 | -0.035 | -0.011 | 46.513 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | R | 342 | PHE | 0 | 0.005 | -0.011 | 47.618 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | R | 343 | ASN | 0 | -0.008 | -0.005 | 48.960 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | R | 344 | ALA | 0 | 0.025 | 0.036 | 46.588 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | R | 345 | THR | 0 | 0.007 | -0.014 | 47.300 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | R | 346 | ARG | 1 | 0.921 | 0.960 | 42.216 | -7.035 | -7.035 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | R | 347 | PHE | 0 | 0.045 | 0.024 | 40.850 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | R | 348 | ALA | 0 | 0.011 | 0.024 | 37.649 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | R | 349 | SER | 0 | 0.030 | 0.007 | 32.856 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | R | 350 | VAL | 0 | -0.009 | 0.006 | 31.715 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | R | 351 | TYR | 0 | 0.019 | 0.001 | 29.578 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | R | 352 | ALA | 0 | -0.069 | -0.032 | 31.590 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | R | 353 | TRP | 0 | -0.012 | -0.005 | 34.400 | -0.423 | -0.423 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | R | 354 | ASN | 0 | 0.029 | 0.024 | 37.410 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | R | 355 | ARG | 1 | 0.830 | 0.884 | 40.841 | -7.636 | -7.636 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | R | 356 | LYS | 1 | 0.818 | 0.911 | 43.140 | -6.435 | -6.435 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | R | 357 | ARG | 1 | 0.880 | 0.932 | 46.877 | -6.321 | -6.321 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | R | 358 | ILE | 0 | -0.035 | -0.014 | 48.863 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | R | 359 | SER | 0 | 0.046 | -0.004 | 52.234 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | R | 360 | ASN | 0 | -0.013 | -0.003 | 55.152 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | R | 362 | VAL | 0 | 0.055 | 0.034 | 59.599 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | R | 363 | ALA | 0 | 0.003 | -0.011 | 56.816 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | R | 364 | ASP | -1 | -0.765 | -0.839 | 58.703 | 5.313 | 5.313 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | R | 365 | TYR | 0 | 0.029 | -0.014 | 53.528 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | R | 366 | SER | 0 | -0.066 | -0.051 | 57.336 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | R | 367 | VAL | 0 | -0.015 | -0.019 | 57.263 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | R | 368 | LEU | 0 | -0.066 | -0.018 | 52.542 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | R | 369 | TYR | 0 | 0.020 | -0.011 | 53.961 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | R | 370 | ASN | 0 | -0.032 | -0.006 | 55.977 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | R | 371 | SER | 0 | 0.011 | 0.002 | 54.170 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | R | 372 | ALA | 0 | 0.008 | -0.001 | 54.594 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | R | 373 | SER | 0 | -0.020 | -0.002 | 50.230 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | R | 374 | PHE | 0 | -0.034 | -0.014 | 49.049 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | R | 375 | SER | 0 | 0.060 | 0.032 | 45.341 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | R | 376 | THR | 0 | -0.100 | -0.064 | 44.188 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | R | 377 | PHE | 0 | 0.080 | 0.033 | 47.129 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | R | 378 | LYS | 1 | 0.921 | 0.978 | 44.322 | -7.348 | -7.348 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | R | 432 | CYS | 0 | -0.112 | -0.030 | 47.528 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | R | 380 | TYR | 0 | 0.040 | 0.004 | 43.555 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | R | 381 | GLY | 0 | 0.071 | 0.034 | 48.595 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | R | 382 | VAL | 0 | 0.007 | 0.005 | 51.110 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | R | 383 | SER | 0 | -0.011 | 0.001 | 53.191 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | R | 384 | PRO | 0 | 0.063 | 0.013 | 53.971 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | R | 385 | THR | 0 | -0.031 | -0.032 | 55.691 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | R | 386 | LYS | 1 | 0.955 | 0.986 | 58.585 | -5.412 | -5.412 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | R | 387 | LEU | 0 | -0.026 | -0.002 | 53.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | R | 388 | ASN | 0 | -0.015 | -0.024 | 58.015 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | R | 389 | ASP | -1 | -0.896 | -0.932 | 61.224 | 5.081 | 5.081 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | R | 390 | LEU | 0 | -0.045 | -0.012 | 57.274 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | R | 391 | CYS | 0 | -0.041 | -0.030 | 59.159 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | R | 392 | PHE | 0 | 0.014 | 0.007 | 54.022 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | R | 393 | THR | 0 | -0.001 | 0.001 | 53.101 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | R | 394 | ASN | 0 | -0.073 | -0.048 | 50.709 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | R | 395 | VAL | 0 | 0.022 | 0.021 | 50.567 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | R | 396 | TYR | 0 | -0.096 | -0.065 | 45.471 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | R | 397 | ALA | 0 | 0.036 | 0.018 | 46.719 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | R | 398 | ASP | -1 | -0.719 | -0.803 | 40.981 | 7.876 | 7.876 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | R | 399 | SER | 0 | -0.008 | -0.008 | 41.738 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | R | 400 | PHE | 0 | -0.008 | -0.012 | 37.097 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | R | 401 | VAL | 0 | 0.005 | 0.009 | 37.018 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | R | 402 | ILE | 0 | -0.029 | -0.003 | 34.166 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | R | 403 | ARG | 1 | 0.840 | 0.904 | 30.367 | -10.347 | -10.347 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | R | 404 | GLY | 0 | 0.043 | 0.027 | 35.932 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | R | 405 | ASP | -1 | -0.864 | -0.931 | 34.357 | 9.139 | 9.139 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | R | 406 | GLU | -1 | -0.853 | -0.917 | 31.210 | 10.411 | 10.411 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | R | 407 | VAL | 0 | 0.031 | 0.015 | 35.114 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | R | 408 | ARG | 1 | 0.830 | 0.912 | 31.875 | -9.739 | -9.739 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | R | 409 | GLN | 0 | 0.027 | 0.006 | 31.447 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | R | 410 | ILE | 0 | -0.036 | 0.000 | 35.984 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | R | 411 | ALA | 0 | 0.012 | -0.013 | 38.353 | -0.291 | -0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | R | 412 | PRO | 0 | 0.020 | 0.028 | 38.518 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | R | 413 | GLY | 0 | 0.036 | 0.019 | 37.569 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | R | 414 | GLN | 0 | -0.064 | -0.001 | 35.325 | 0.411 | 0.411 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | R | 415 | THR | 0 | 0.025 | 0.016 | 30.073 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | R | 416 | GLY | 0 | 0.031 | 0.011 | 28.700 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | R | 417 | LYS | 1 | 0.813 | 0.897 | 23.968 | -13.033 | -13.033 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | R | 418 | ILE | 0 | -0.008 | 0.014 | 27.537 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | R | 419 | ALA | 0 | 0.042 | 0.022 | 30.869 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | R | 420 | ASP | -1 | -0.779 | -0.892 | 27.690 | 10.866 | 10.866 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | R | 421 | TYR | 0 | -0.019 | -0.010 | 22.556 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | R | 422 | ASN | 0 | -0.039 | -0.021 | 27.692 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | R | 423 | TYR | 0 | -0.026 | -0.065 | 30.743 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | R | 424 | LYS | 1 | 0.883 | 0.970 | 32.052 | -9.934 | -9.934 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | R | 425 | LEU | 0 | -0.007 | 0.001 | 34.996 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | R | 426 | PRO | 0 | -0.010 | -0.011 | 37.725 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | R | 427 | ASP | -1 | -0.850 | -0.948 | 38.256 | 8.490 | 8.490 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | R | 428 | ASP | -1 | -0.930 | -0.963 | 41.094 | 7.401 | 7.401 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | R | 429 | PHE | 0 | -0.066 | -0.029 | 42.646 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | R | 430 | THR | 0 | 0.014 | 0.012 | 44.622 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | R | 431 | GLY | 0 | 0.026 | -0.005 | 47.545 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | R | 433 | VAL | 0 | 0.018 | 0.017 | 42.168 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | R | 434 | ILE | 0 | -0.044 | -0.014 | 45.284 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | R | 435 | ALA | 0 | 0.000 | -0.008 | 42.974 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | R | 436 | TRP | 0 | 0.009 | 0.009 | 44.742 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | R | 437 | ASN | 0 | -0.024 | -0.008 | 43.590 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | R | 438 | SER | 0 | 0.015 | -0.025 | 42.146 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | R | 439 | ASN | 0 | 0.046 | 0.015 | 41.457 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | R | 440 | ASN | 0 | -0.019 | -0.007 | 43.148 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | R | 441 | LEU | 0 | -0.023 | 0.002 | 44.702 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | R | 442 | ASP | -1 | -0.732 | -0.796 | 39.767 | 7.818 | 7.818 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | R | 443 | SER | 0 | -0.042 | -0.026 | 38.959 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | R | 444 | LYS | 1 | 0.901 | 0.937 | 38.242 | -8.393 | -8.393 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | R | 445 | VAL | 0 | 0.044 | 0.006 | 38.509 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | R | 446 | GLY | 0 | 0.005 | 0.010 | 35.841 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | R | 447 | GLY | 0 | 0.018 | 0.025 | 34.080 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | R | 448 | ASN | 0 | -0.067 | -0.055 | 35.156 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | R | 449 | TYR | 0 | 0.007 | -0.011 | 29.122 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | R | 450 | ASN | 0 | -0.028 | -0.006 | 32.208 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | R | 451 | TYR | 0 | -0.070 | -0.045 | 33.980 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | R | 452 | LEU | 0 | 0.019 | 0.003 | 28.499 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | R | 453 | TYR | 0 | 0.016 | 0.015 | 25.484 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | R | 454 | ARG | 1 | 0.812 | 0.883 | 24.440 | -11.892 | -11.892 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | R | 455 | LEU | 0 | -0.035 | 0.012 | 20.955 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | R | 456 | PHE | 0 | -0.005 | 0.005 | 16.865 | 0.566 | 0.566 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | R | 457 | ARG | 1 | 0.761 | 0.853 | 20.745 | -12.301 | -12.301 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | R | 458 | LYS | 1 | 0.846 | 0.912 | 19.312 | -15.428 | -15.428 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | R | 459 | SER | 0 | 0.002 | 0.000 | 20.699 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | R | 460 | ASN | 0 | 0.048 | 0.019 | 24.222 | 0.340 | 0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | R | 461 | LEU | 0 | -0.075 | -0.012 | 27.307 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | R | 462 | LYS | 1 | 0.895 | 0.936 | 30.192 | -10.651 | -10.651 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | R | 463 | PRO | 0 | 0.036 | 0.023 | 33.313 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | R | 464 | PHE | 0 | 0.015 | -0.007 | 36.455 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | R | 465 | GLU | -1 | -0.803 | -0.862 | 30.506 | 10.640 | 10.640 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | R | 466 | ARG | 1 | 0.818 | 0.917 | 31.922 | -8.751 | -8.751 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | R | 467 | ASP | -1 | -0.779 | -0.863 | 27.163 | 11.702 | 11.702 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | R | 468 | ILE | 0 | 0.054 | 0.032 | 29.985 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | R | 469 | SER | 0 | -0.013 | -0.002 | 24.951 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | R | 470 | THR | 0 | 0.031 | 0.005 | 25.042 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | R | 471 | GLU | -1 | -0.872 | -0.896 | 19.743 | 15.966 | 15.966 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | R | 472 | ILE | 0 | -0.015 | 0.003 | 16.553 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | R | 473 | TYR | 0 | -0.038 | -0.046 | 15.577 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | R | 474 | GLN | 0 | -0.021 | -0.028 | 11.268 | -1.107 | -1.107 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | R | 475 | ALA | 0 | -0.058 | -0.033 | 11.465 | -0.876 | -0.876 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | R | 476 | GLY | 0 | 0.055 | 0.033 | 7.973 | 1.008 | 1.008 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | R | 477 | SER | 0 | -0.071 | -0.042 | 6.288 | -4.608 | -4.608 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | R | 478 | THR | 0 | -0.025 | -0.022 | 6.285 | -3.488 | -3.488 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | R | 479 | PRO | 0 | -0.020 | -0.012 | 8.936 | -1.580 | -1.580 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | R | 488 | CYS | 0 | 0.043 | 0.032 | 10.226 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | R | 481 | ASN | 0 | -0.044 | -0.019 | 14.032 | -1.415 | -1.415 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | R | 482 | GLY | 0 | 0.010 | 0.010 | 17.217 | -0.797 | -0.797 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | R | 483 | VAL | 0 | -0.020 | -0.005 | 15.844 | -0.890 | -0.890 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | R | 484 | GLU | -1 | -0.868 | -0.938 | 15.600 | 17.544 | 17.544 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | R | 485 | GLY | 0 | 0.009 | -0.011 | 13.466 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | R | 486 | PHE | 0 | -0.034 | -0.018 | 5.386 | -1.658 | -1.658 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | R | 487 | ASN | 0 | -0.013 | -0.016 | 6.386 | -3.088 | -3.088 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | R | 489 | TYR | 0 | 0.082 | 0.058 | 11.948 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | R | 490 | PHE | 0 | 0.056 | 0.025 | 16.368 | -0.533 | -0.533 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | R | 491 | PRO | 0 | -0.027 | -0.008 | 20.150 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | R | 492 | LEU | 0 | -0.019 | -0.007 | 21.560 | -0.367 | -0.367 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | R | 493 | GLN | 0 | 0.037 | 0.019 | 21.363 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | R | 494 | SER | 0 | 0.013 | 0.005 | 25.470 | -0.559 | -0.559 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | R | 495 | TYR | 0 | -0.013 | -0.046 | 28.417 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | R | 496 | GLY | 0 | 0.012 | 0.019 | 31.030 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | R | 497 | PHE | 0 | -0.012 | -0.002 | 32.234 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | R | 498 | GLN | 0 | 0.040 | 0.005 | 34.753 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | R | 499 | PRO | 0 | -0.027 | 0.001 | 37.401 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | R | 500 | THR | 0 | 0.014 | -0.004 | 39.026 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | R | 501 | ASN | 0 | 0.015 | 0.045 | 34.696 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | R | 502 | GLY | 0 | 0.055 | 0.022 | 38.326 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | R | 503 | VAL | 0 | 0.046 | 0.005 | 38.982 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | R | 504 | GLY | 0 | 0.017 | 0.029 | 37.651 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | R | 505 | TYR | 0 | -0.022 | -0.041 | 32.822 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | R | 506 | GLN | 0 | -0.033 | 0.000 | 36.071 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | R | 507 | PRO | 0 | -0.006 | 0.004 | 38.072 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | R | 508 | TYR | 0 | -0.008 | 0.000 | 38.992 | -0.357 | -0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | R | 509 | ARG | 1 | 0.765 | 0.876 | 39.991 | -7.155 | -7.155 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | R | 510 | VAL | 0 | -0.009 | -0.012 | 39.612 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | R | 511 | VAL | 0 | 0.006 | -0.012 | 42.397 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | R | 512 | VAL | 0 | -0.040 | -0.014 | 41.229 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | R | 513 | LEU | 0 | 0.001 | 0.010 | 44.472 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | R | 514 | SER | 0 | 0.003 | -0.004 | 44.801 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | R | 515 | PHE | 0 | 0.013 | 0.000 | 47.163 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | R | 516 | GLU | -1 | -0.776 | -0.856 | 48.200 | 6.650 | 6.650 | 0.000 | 0.000 | 0.000 | 0.000 |