FMODB ID: N34VQ
Calculation Name: 7CH4-HLR-Xray216
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 7CH4
Chain ID: HLR
Base Structure: X-ray
Registration Date: 2021-04-08
Reference: K. Watanabe, C. Watanabe, T. Honma, Y.S. Tian, Y. Kawashima, N. Kawashita, T. Takagi, K. Fukuzawa, Intermolecular interaction analyses on SARS-CoV-2 receptor binding domain and human angiotensin-converting enzyme 2 receptor-blocking antibody/peptide using fragment molecular orbital calculation, J. Phys. Chem. Lett. 2021, 12, 16, 4059-4066
DOI: 10.1021/acs.jpclett.1c00663
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 | 616 |
LigandCharge | None |
Software | MIZUHO/ABINIT-MP 4.0(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -12390672.949294 |
---|---|
FMO2-HF: Nuclear repulsion | 12152418.604653 |
FMO2-HF: Total energy | -238254.34464 |
FMO2-MP2: Total energy | -238948.237463 |
3D Structure
Ligand structure
Ligand Interaction
Antigen and antibody binding energy (frag 1-427 : frag 428-616)
"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. |
-582.8475 | -547.1239 | 246.1606 | -115.0312 | -166.8530 | -0.0069 |
Interactive mode: IFIE and PIEDA for fragment #1(H:2:VAL )
Summations of interaction energy for
fragment #1(H:2:VAL )
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. |
-8.651 | -2.774 | 9.533 | -5.35 | -10.061 | -0.03 |
Interaction energy analysis for fragmet #1(H:2:VAL )
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 | 4 | LEU | 0 | 0.027 | 0.005 | 3.864 | -0.834 | 1.222 | -0.025 | -1.052 | -0.979 | 0.002 |
4 | H | 5 | VAL | 0 | 0.011 | 0.011 | 6.636 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | H | 6 | GLU | -1 | -0.806 | -0.903 | 9.756 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | H | 7 | SER | 0 | -0.025 | -0.012 | 13.094 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | H | 8 | GLY | 0 | 0.039 | 0.023 | 16.563 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | H | 9 | GLY | 0 | 0.023 | -0.006 | 20.121 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | H | 10 | GLY | 0 | 0.022 | 0.007 | 22.035 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | H | 11 | LEU | 0 | -0.041 | -0.012 | 25.322 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | H | 12 | ILE | 0 | -0.016 | -0.003 | 27.043 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | H | 13 | GLN | 0 | 0.033 | 0.016 | 30.107 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | H | 14 | PRO | 0 | -0.013 | -0.012 | 32.576 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | H | 15 | GLY | 0 | 0.002 | 0.005 | 33.236 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | H | 16 | GLY | 0 | -0.020 | -0.004 | 31.922 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | H | 17 | SER | 0 | -0.025 | -0.027 | 28.196 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | H | 18 | LEU | 0 | -0.028 | -0.007 | 21.889 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | H | 19 | ARG | 1 | 0.926 | 0.960 | 20.387 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | H | 20 | LEU | 0 | 0.033 | 0.042 | 17.222 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | H | 21 | SER | 0 | -0.066 | -0.044 | 15.466 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | H | 95 | CYS | 0 | -0.043 | -0.015 | 10.167 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | H | 23 | ALA | 0 | 0.026 | 0.026 | 10.238 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | H | 24 | ALA | 0 | 0.020 | 0.014 | 6.005 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | H | 25 | SER | 0 | 0.005 | 0.006 | 3.448 | -0.200 | 0.522 | 0.019 | -0.293 | -0.448 | 0.000 |
25 | H | 26 | GLY | 0 | 0.042 | 0.021 | 2.229 | -3.835 | -2.432 | 5.400 | -3.382 | -3.422 | -0.028 |
26 | H | 27 | ILE | 0 | 0.012 | -0.002 | 2.508 | -0.826 | -0.414 | 1.119 | 0.359 | -1.889 | -0.002 |
27 | H | 28 | ILE | 0 | -0.001 | 0.017 | 4.077 | 0.093 | 0.167 | 0.001 | -0.016 | -0.060 | 0.000 |
28 | H | 29 | VAL | 0 | 0.037 | 0.017 | 7.841 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | H | 30 | SER | 0 | -0.026 | -0.025 | 10.014 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | H | 31 | SER | 0 | -0.016 | 0.001 | 10.564 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | H | 32 | ASN | 0 | 0.010 | -0.015 | 7.675 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | H | 33 | TYR | 0 | -0.030 | -0.012 | 11.033 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | H | 34 | MET | 0 | -0.047 | -0.012 | 7.916 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | H | 35 | THR | 0 | 0.038 | 0.007 | 11.921 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | H | 36 | TRP | 0 | 0.011 | -0.002 | 13.029 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | H | 37 | VAL | 0 | 0.007 | 0.001 | 15.099 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | H | 38 | ARG | 1 | 0.769 | 0.859 | 17.344 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | H | 39 | GLN | 0 | 0.027 | 0.019 | 19.734 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | H | 40 | ALA | 0 | 0.045 | 0.031 | 21.636 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | H | 41 | PRO | 0 | 0.005 | -0.019 | 25.151 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | H | 42 | GLY | 0 | -0.001 | -0.003 | 26.142 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | H | 43 | LYS | 1 | 0.905 | 0.953 | 26.504 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | H | 44 | GLY | 0 | 0.031 | 0.034 | 23.458 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | H | 45 | LEU | 0 | -0.030 | -0.013 | 17.478 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | H | 46 | GLU | -1 | -0.773 | -0.841 | 21.096 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | H | 47 | TRP | 0 | 0.039 | 0.014 | 17.693 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | H | 48 | VAL | 0 | -0.028 | -0.006 | 19.241 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | H | 49 | SER | 0 | 0.039 | -0.007 | 18.868 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | H | 50 | VAL | 0 | -0.008 | 0.009 | 16.196 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | H | 51 | ILE | 0 | -0.030 | -0.014 | 15.001 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | H | 52 | TYR | 0 | 0.091 | 0.039 | 15.429 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | H | 53 | SER | 0 | 0.022 | 0.012 | 14.050 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | H | 54 | GLY | 0 | -0.054 | -0.036 | 15.833 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | H | 55 | GLY | 0 | -0.049 | -0.013 | 18.904 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | H | 56 | SER | 0 | -0.030 | -0.031 | 20.466 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | H | 57 | THR | 0 | -0.023 | -0.007 | 19.920 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | H | 58 | PHE | 0 | 0.003 | 0.006 | 21.089 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | H | 59 | TYR | 0 | 0.038 | 0.012 | 21.482 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | H | 60 | ALA | 0 | 0.092 | 0.058 | 23.582 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | H | 61 | ASP | -1 | -0.843 | -0.925 | 25.322 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | H | 62 | SER | 0 | -0.037 | -0.017 | 26.385 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | H | 63 | VAL | 0 | -0.035 | -0.030 | 23.474 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | H | 64 | LYS | 1 | 0.861 | 0.911 | 26.918 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | H | 65 | GLY | 0 | -0.014 | -0.002 | 28.439 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | H | 66 | ARG | 1 | 0.716 | 0.842 | 28.215 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | H | 67 | PHE | 0 | 0.015 | 0.012 | 22.064 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | H | 68 | THR | 0 | -0.038 | -0.021 | 23.471 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | H | 69 | ILE | 0 | -0.013 | 0.006 | 17.214 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | H | 70 | SER | 0 | -0.009 | -0.005 | 18.726 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | H | 71 | ARG | 1 | 0.873 | 0.924 | 13.522 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | H | 72 | ASP | -1 | -0.779 | -0.862 | 15.327 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | H | 73 | ASN | 0 | 0.022 | -0.011 | 14.182 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | H | 74 | SER | 0 | -0.004 | 0.008 | 14.338 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | H | 75 | LYS | 1 | 0.855 | 0.916 | 14.339 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | H | 76 | ASN | 0 | 0.000 | 0.009 | 7.154 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | H | 77 | THR | 0 | -0.032 | -0.021 | 10.247 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | H | 78 | LEU | 0 | -0.009 | 0.001 | 11.551 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | H | 79 | TYR | 0 | -0.054 | -0.066 | 13.667 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | H | 80 | LEU | 0 | 0.018 | 0.013 | 16.968 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | H | 81 | GLN | 0 | -0.041 | -0.011 | 19.104 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | H | 82 | MET | 0 | 0.007 | 0.008 | 22.245 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | H | 83 | SER | 0 | -0.009 | -0.033 | 24.955 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | H | 84 | SER | 0 | 0.050 | 0.025 | 28.778 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | H | 85 | LEU | 0 | -0.015 | 0.015 | 26.114 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | H | 86 | ARG | 1 | 0.887 | 0.914 | 30.117 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | H | 87 | ALA | 0 | 0.054 | 0.032 | 30.302 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | H | 88 | GLU | -1 | -0.824 | -0.910 | 30.312 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | H | 89 | ASP | -1 | -0.773 | -0.834 | 26.012 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | H | 90 | THR | 0 | -0.008 | 0.011 | 25.362 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | H | 91 | ALA | 0 | -0.027 | -0.011 | 22.688 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | H | 92 | VAL | 0 | -0.019 | 0.005 | 17.663 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | H | 93 | TYR | 0 | -0.024 | -0.045 | 17.767 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | H | 94 | TYR | 0 | 0.031 | 0.016 | 13.022 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | H | 96 | ALA | 0 | 0.044 | 0.013 | 8.971 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | H | 97 | ARG | 1 | 0.757 | 0.844 | 4.666 | 0.843 | 0.918 | -0.001 | -0.002 | -0.072 | 0.000 |
96 | H | 98 | ASP | -1 | -0.819 | -0.897 | 9.089 | -0.295 | -0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | H | 99 | LEU | 0 | -0.015 | -0.008 | 7.998 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | H | 100 | GLY | 0 | 0.011 | 0.003 | 12.200 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | H | 101 | PRO | 0 | -0.009 | -0.007 | 16.041 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | H | 102 | TYR | 0 | -0.065 | -0.058 | 12.658 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | H | 103 | GLY | 0 | 0.009 | 0.013 | 12.903 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | H | 104 | MET | 0 | -0.034 | -0.012 | 11.156 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | H | 105 | ASP | -1 | -0.728 | -0.851 | 6.414 | -1.085 | -1.085 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | H | 106 | VAL | 0 | -0.044 | -0.017 | 2.961 | -0.780 | -0.208 | 0.144 | -0.138 | -0.578 | 0.000 |
105 | H | 107 | TRP | 0 | -0.007 | -0.022 | 6.013 | 0.317 | 0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | H | 108 | GLY | 0 | 0.027 | 0.022 | 7.431 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | H | 109 | GLN | 0 | -0.057 | -0.055 | 9.365 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | H | 110 | GLY | 0 | 0.021 | 0.022 | 12.339 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | H | 111 | THR | 0 | -0.051 | -0.024 | 15.244 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | H | 112 | THR | 0 | -0.026 | -0.022 | 17.771 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | H | 113 | VAL | 0 | -0.013 | 0.004 | 21.344 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | H | 114 | THR | 0 | -0.012 | -0.016 | 23.833 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | H | 115 | VAL | 0 | 0.006 | 0.008 | 27.574 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | H | 116 | SER | 0 | 0.020 | 0.000 | 30.262 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | H | 117 | SER | 0 | 0.016 | -0.006 | 33.844 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | H | 118 | ALA | 0 | -0.038 | -0.018 | 34.659 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | H | 119 | SER | 0 | 0.002 | 0.012 | 36.325 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | H | 120 | THR | 0 | -0.052 | -0.019 | 35.752 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | H | 121 | LYS | 1 | 0.859 | 0.918 | 37.526 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | H | 122 | GLY | 0 | 0.078 | 0.048 | 39.302 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | H | 123 | PRO | 0 | -0.032 | -0.020 | 39.602 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | H | 124 | SER | 0 | -0.050 | -0.019 | 42.138 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | H | 125 | VAL | 0 | -0.002 | 0.000 | 43.092 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | H | 126 | PHE | 0 | 0.021 | 0.002 | 45.716 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | H | 127 | PRO | 0 | -0.031 | -0.009 | 47.507 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | H | 128 | LEU | 0 | -0.031 | -0.014 | 45.676 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | H | 129 | ALA | 0 | 0.031 | 0.006 | 49.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | H | 130 | PRO | 0 | 0.027 | 0.021 | 51.944 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | H | 131 | SER | 0 | 0.017 | -0.005 | 53.730 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | H | 132 | SER | 0 | 0.032 | 0.010 | 56.429 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | H | 133 | LYS | 1 | 0.845 | 0.921 | 56.055 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | H | 134 | SER | 0 | 0.031 | 0.016 | 51.913 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | H | 135 | THR | 0 | 0.006 | 0.018 | 52.662 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | H | 136 | SER | 0 | -0.009 | -0.030 | 53.541 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | H | 137 | GLY | 0 | 0.039 | 0.032 | 54.085 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | H | 138 | GLY | 0 | 0.025 | 0.026 | 55.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | H | 139 | THR | 0 | -0.058 | -0.011 | 50.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | H | 140 | ALA | 0 | 0.005 | -0.022 | 51.476 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | H | 141 | ALA | 0 | 0.000 | 0.027 | 48.080 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | H | 142 | LEU | 0 | -0.015 | -0.012 | 47.240 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | H | 143 | GLY | 0 | 0.054 | 0.006 | 45.476 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | H | 200 | CYS | 0 | -0.082 | 0.002 | 42.754 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | H | 145 | LEU | 0 | 0.023 | 0.017 | 43.213 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | H | 146 | VAL | 0 | -0.022 | -0.011 | 39.543 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | H | 147 | LYS | 1 | 0.894 | 0.927 | 40.772 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | H | 148 | ASP | -1 | -0.801 | -0.866 | 41.680 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | H | 149 | TYR | 0 | 0.040 | 0.017 | 34.242 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | H | 150 | PHE | 0 | 0.059 | 0.032 | 32.767 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | H | 151 | PRO | 0 | 0.026 | 0.026 | 31.076 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | H | 152 | GLU | -1 | -0.863 | -0.929 | 30.017 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | H | 153 | PRO | 0 | -0.015 | -0.013 | 28.526 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | H | 154 | VAL | 0 | 0.008 | -0.008 | 31.295 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | H | 155 | THR | 0 | -0.057 | -0.019 | 31.505 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | H | 156 | VAL | 0 | 0.003 | -0.014 | 34.214 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | H | 157 | SER | 0 | -0.013 | 0.000 | 36.592 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | H | 158 | TRP | 0 | 0.013 | 0.008 | 38.499 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | H | 159 | ASN | 0 | 0.000 | -0.015 | 41.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | H | 160 | SER | 0 | -0.019 | -0.023 | 40.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | H | 161 | GLY | 0 | 0.009 | 0.013 | 38.406 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | H | 162 | ALA | 0 | -0.022 | -0.004 | 39.124 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | H | 163 | LEU | 0 | -0.036 | -0.010 | 41.867 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | H | 164 | THR | 0 | 0.015 | -0.004 | 37.076 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | H | 165 | SER | 0 | -0.001 | -0.007 | 38.956 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | H | 166 | GLY | 0 | 0.040 | 0.014 | 40.899 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | H | 167 | VAL | 0 | -0.040 | -0.012 | 38.575 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | H | 168 | HIS | 0 | -0.011 | 0.007 | 37.852 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | H | 169 | THR | 0 | 0.002 | -0.001 | 35.437 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | H | 170 | PHE | 0 | -0.016 | 0.002 | 35.409 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | H | 171 | PRO | 0 | 0.016 | 0.010 | 31.851 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | H | 172 | ALA | 0 | -0.003 | 0.019 | 33.204 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | H | 173 | VAL | 0 | -0.005 | 0.008 | 34.150 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | H | 174 | LEU | 0 | -0.006 | 0.001 | 33.345 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | H | 175 | GLN | 0 | 0.009 | 0.011 | 36.389 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | H | 176 | SER | 0 | 0.022 | -0.009 | 39.374 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | H | 177 | SER | 0 | -0.021 | -0.005 | 41.659 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | H | 178 | GLY | 0 | 0.010 | 0.011 | 37.520 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | H | 179 | LEU | 0 | -0.039 | -0.007 | 36.912 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | H | 180 | TYR | 0 | -0.023 | -0.021 | 30.734 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | H | 181 | SER | 0 | -0.010 | -0.024 | 37.544 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | H | 182 | LEU | 0 | 0.003 | 0.026 | 35.390 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | H | 183 | SER | 0 | 0.028 | 0.004 | 38.847 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | H | 184 | SER | 0 | -0.008 | -0.003 | 38.983 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | H | 185 | VAL | 0 | 0.015 | -0.008 | 40.764 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | H | 186 | VAL | 0 | 0.014 | 0.005 | 42.015 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | H | 187 | THR | 0 | -0.016 | -0.002 | 44.342 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | H | 188 | VAL | 0 | 0.002 | 0.009 | 46.466 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | H | 189 | PRO | 0 | 0.059 | 0.017 | 49.109 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | H | 190 | SER | 0 | 0.004 | -0.013 | 52.429 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | H | 191 | SER | 0 | 0.012 | 0.000 | 55.324 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | H | 192 | SER | 0 | 0.003 | -0.007 | 52.706 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | H | 193 | LEU | 0 | -0.029 | -0.011 | 53.002 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | H | 194 | GLY | 0 | -0.015 | 0.006 | 55.393 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | H | 195 | THR | 0 | -0.031 | -0.015 | 56.174 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | H | 196 | GLN | 0 | -0.032 | -0.007 | 51.082 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | H | 197 | THR | 0 | -0.002 | 0.006 | 50.688 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | H | 198 | TYR | 0 | 0.044 | 0.021 | 47.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | H | 199 | ILE | 0 | 0.014 | -0.010 | 45.624 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | H | 201 | ASN | 0 | -0.002 | -0.012 | 40.072 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | H | 202 | VAL | 0 | 0.031 | 0.011 | 39.119 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | H | 203 | ASN | 0 | -0.028 | -0.027 | 35.606 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | H | 204 | HIS | 0 | 0.020 | -0.002 | 34.917 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | H | 205 | LYS | 1 | 1.007 | 0.993 | 29.644 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | H | 206 | PRO | 0 | 0.012 | 0.014 | 31.627 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | H | 207 | SER | 0 | 0.007 | 0.007 | 33.998 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | H | 208 | ASN | 0 | -0.045 | -0.026 | 36.336 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | H | 209 | THR | 0 | -0.004 | 0.017 | 38.124 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | H | 210 | LYS | 1 | 0.875 | 0.911 | 38.932 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | H | 211 | VAL | 0 | -0.013 | -0.003 | 41.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | H | 212 | ASP | -1 | -0.803 | -0.869 | 43.176 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | H | 213 | LYS | 1 | 0.884 | 0.934 | 45.453 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | H | 214 | LYS | 1 | 0.883 | 0.932 | 47.508 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | H | 215 | VAL | 0 | -0.030 | -0.024 | 47.987 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | H | 216 | GLU | -1 | -0.836 | -0.902 | 51.062 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | H | 217 | PRO | 0 | -0.011 | -0.013 | 54.599 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | H | 218 | LYS | 1 | 0.862 | 0.935 | 55.316 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | H | 219 | SER | 0 | 0.023 | 0.019 | 58.897 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | L | 1 | ASP | -1 | -0.888 | -0.956 | 27.917 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | L | 2 | ILE | 0 | -0.095 | -0.025 | 27.601 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | L | 3 | GLN | 0 | 0.013 | -0.009 | 28.987 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | L | 4 | LEU | 0 | 0.004 | -0.008 | 24.511 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | L | 5 | THR | 0 | -0.022 | -0.009 | 28.635 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | L | 6 | GLN | 0 | 0.010 | -0.028 | 24.821 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | L | 7 | SER | 0 | -0.033 | 0.002 | 29.356 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | L | 8 | PRO | 0 | 0.042 | 0.024 | 30.527 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | L | 9 | SER | 0 | 0.058 | 0.026 | 30.281 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | L | 10 | PHE | 0 | -0.053 | -0.027 | 30.130 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | L | 11 | LEU | 0 | 0.013 | 0.012 | 30.100 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | L | 12 | SER | 0 | -0.024 | -0.010 | 31.601 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | L | 13 | ALA | 0 | 0.005 | -0.004 | 31.304 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | L | 14 | SER | 0 | 0.003 | -0.004 | 32.817 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | L | 15 | VAL | 0 | 0.019 | 0.003 | 29.281 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | L | 16 | GLY | 0 | -0.003 | 0.005 | 30.232 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | L | 17 | ASP | -1 | -0.775 | -0.862 | 31.800 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | L | 18 | ARG | 1 | 0.950 | 0.984 | 30.308 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | L | 19 | VAL | 0 | -0.022 | -0.006 | 27.956 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | L | 20 | THR | 0 | 0.016 | -0.009 | 29.152 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | L | 21 | ILE | 0 | -0.015 | 0.014 | 25.427 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | L | 22 | THR | 0 | 0.020 | 0.008 | 28.149 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | L | 88 | CYS | 0 | -0.063 | -0.012 | 20.437 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | L | 24 | ARG | 1 | 0.833 | 0.892 | 28.596 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | L | 25 | ALA | 0 | 0.036 | 0.012 | 28.762 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | L | 26 | SER | 0 | -0.011 | -0.017 | 30.686 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | L | 27 | GLN | 0 | 0.009 | -0.008 | 32.490 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | L | 28 | GLY | 0 | 0.042 | 0.037 | 31.743 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | L | 29 | ILE | 0 | -0.009 | -0.013 | 25.212 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | L | 30 | SER | 0 | -0.027 | -0.025 | 26.483 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | L | 31 | SER | 0 | 0.048 | 0.015 | 24.507 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | L | 32 | ASP | -1 | -0.792 | -0.877 | 21.218 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | L | 33 | LEU | 0 | -0.063 | -0.030 | 22.057 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | L | 34 | ALA | 0 | 0.017 | 0.012 | 17.054 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | L | 35 | TRP | 0 | -0.007 | -0.014 | 18.445 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | L | 36 | TYR | 0 | 0.008 | -0.001 | 13.280 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | L | 37 | GLN | 0 | -0.015 | -0.021 | 16.560 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | L | 38 | GLN | 0 | 0.002 | -0.004 | 16.431 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | L | 39 | LYS | 1 | 0.871 | 0.930 | 17.217 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | L | 40 | PRO | 0 | 0.043 | 0.004 | 19.302 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | L | 41 | GLY | 0 | -0.003 | 0.003 | 20.045 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | L | 42 | LYS | 1 | 0.916 | 0.966 | 14.602 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | L | 43 | ALA | 0 | 0.115 | 0.071 | 12.156 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | L | 44 | PRO | 0 | -0.063 | -0.039 | 14.206 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | L | 45 | ASN | 0 | -0.044 | -0.011 | 12.028 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | L | 46 | LEU | 0 | -0.012 | 0.003 | 11.411 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | L | 47 | LEU | 0 | -0.037 | -0.020 | 13.434 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | L | 48 | ILE | 0 | -0.022 | -0.010 | 16.220 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | L | 49 | TYR | 0 | 0.066 | 0.028 | 13.703 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | L | 50 | ALA | 0 | 0.054 | 0.027 | 17.415 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | L | 51 | ALA | 0 | -0.003 | 0.004 | 20.315 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | L | 52 | SER | 0 | -0.096 | -0.055 | 21.951 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | L | 53 | THR | 0 | -0.021 | 0.006 | 17.149 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | L | 54 | LEU | 0 | -0.017 | -0.008 | 17.143 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | L | 55 | GLN | 0 | 0.054 | 0.034 | 9.228 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | L | 56 | SER | 0 | -0.011 | -0.019 | 10.768 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | L | 57 | GLY | 0 | 0.008 | 0.003 | 10.966 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | L | 58 | VAL | 0 | -0.038 | -0.002 | 12.681 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | L | 59 | PRO | 0 | -0.001 | 0.001 | 15.385 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | L | 60 | SER | 0 | 0.054 | 0.002 | 18.703 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | L | 61 | ARG | 1 | 0.773 | 0.876 | 21.255 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | L | 62 | PHE | 0 | -0.002 | 0.007 | 19.930 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | L | 63 | SER | 0 | 0.023 | 0.014 | 22.089 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | L | 64 | GLY | 0 | -0.001 | 0.011 | 23.173 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | L | 65 | SER | 0 | 0.021 | 0.000 | 24.115 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | L | 66 | GLY | 0 | 0.019 | 0.001 | 27.140 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | L | 67 | SER | 0 | -0.009 | -0.002 | 27.812 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | L | 68 | GLY | 0 | -0.008 | 0.008 | 29.614 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | L | 69 | THR | 0 | 0.018 | 0.001 | 30.240 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | L | 70 | GLU | -1 | -0.831 | -0.880 | 31.505 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | L | 71 | PHE | 0 | 0.014 | 0.011 | 26.445 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | L | 72 | THR | 0 | -0.017 | -0.017 | 28.012 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | L | 73 | LEU | 0 | -0.001 | 0.024 | 21.675 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | L | 74 | THR | 0 | -0.026 | -0.033 | 25.682 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | L | 75 | ILE | 0 | 0.005 | 0.013 | 23.951 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | L | 76 | SER | 0 | -0.035 | -0.045 | 26.090 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | L | 77 | SER | 0 | -0.038 | -0.021 | 27.180 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | L | 78 | LEU | 0 | -0.033 | 0.009 | 26.030 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | L | 79 | GLN | 0 | 0.008 | -0.010 | 23.959 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | L | 80 | PRO | 0 | 0.033 | 0.004 | 25.670 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | L | 81 | GLU | -1 | -0.808 | -0.885 | 19.797 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | L | 82 | ASP | -1 | -0.785 | -0.873 | 21.453 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | L | 83 | PHE | 0 | -0.027 | 0.009 | 23.114 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | L | 84 | ALA | 0 | 0.000 | -0.003 | 21.284 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | L | 85 | THR | 0 | -0.001 | -0.004 | 22.268 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | L | 86 | TYR | 0 | -0.022 | -0.017 | 21.000 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | L | 87 | TYR | 0 | 0.025 | 0.016 | 19.781 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | L | 89 | GLN | 0 | 0.026 | 0.001 | 17.118 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | L | 90 | GLN | 0 | -0.003 | 0.002 | 21.189 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | L | 91 | LEU | 0 | -0.042 | 0.001 | 17.105 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | L | 92 | ASN | 0 | -0.050 | -0.056 | 19.433 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | L | 93 | SER | 0 | 0.008 | 0.003 | 21.182 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | L | 94 | ASP | -1 | -0.835 | -0.914 | 21.973 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | L | 95 | LEU | 0 | -0.020 | 0.000 | 23.466 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | L | 96 | TYR | 0 | -0.092 | -0.063 | 16.856 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | L | 97 | THR | 0 | 0.018 | 0.019 | 20.708 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | L | 98 | PHE | 0 | 0.038 | 0.009 | 16.531 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | L | 99 | GLY | 0 | 0.020 | 0.012 | 22.684 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | L | 100 | GLN | 0 | -0.083 | -0.047 | 24.652 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | L | 101 | GLY | 0 | 0.020 | 0.015 | 24.838 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | L | 102 | THR | 0 | -0.065 | -0.049 | 25.302 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | L | 103 | LYS | 1 | 0.782 | 0.876 | 25.755 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | L | 104 | LEU | 0 | -0.055 | -0.021 | 25.997 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | L | 105 | GLU | -1 | -0.749 | -0.846 | 27.864 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | L | 106 | ILE | 0 | 0.038 | 0.016 | 29.984 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | L | 107 | LYS | 1 | 0.804 | 0.906 | 32.604 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | L | 108 | ARG | 1 | 0.825 | 0.895 | 36.015 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | L | 109 | THR | 0 | -0.002 | -0.002 | 39.128 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | L | 110 | VAL | 0 | 0.005 | 0.003 | 42.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | L | 111 | ALA | 0 | -0.009 | -0.001 | 43.448 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | L | 112 | ALA | 0 | 0.033 | 0.016 | 44.981 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | L | 113 | PRO | 0 | -0.019 | 0.004 | 45.293 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | L | 114 | SER | 0 | -0.011 | -0.002 | 46.795 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | L | 115 | VAL | 0 | 0.005 | 0.006 | 47.796 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | L | 116 | PHE | 0 | -0.027 | -0.022 | 47.743 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | L | 117 | ILE | 0 | -0.009 | -0.002 | 49.753 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | L | 118 | PHE | 0 | -0.021 | -0.012 | 47.666 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | L | 119 | PRO | 0 | 0.013 | 0.008 | 51.775 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | L | 120 | PRO | 0 | -0.009 | 0.011 | 52.149 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | L | 121 | SER | 0 | -0.017 | -0.032 | 52.234 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | L | 122 | ASP | -1 | -0.789 | -0.910 | 54.038 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | L | 123 | GLU | -1 | -0.861 | -0.920 | 52.650 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | L | 124 | GLN | 0 | 0.008 | 0.045 | 48.957 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | L | 125 | LEU | 0 | 0.028 | 0.030 | 52.513 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | L | 126 | LYS | 1 | 0.901 | 0.949 | 55.839 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | L | 127 | SER | 0 | -0.047 | -0.033 | 51.743 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | L | 128 | GLY | 0 | 0.034 | 0.023 | 53.544 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | L | 129 | THR | 0 | -0.052 | -0.020 | 49.342 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | L | 130 | ALA | 0 | 0.007 | -0.009 | 51.912 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | L | 131 | SER | 0 | -0.011 | -0.014 | 47.474 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | L | 132 | VAL | 0 | -0.023 | -0.001 | 49.566 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | L | 133 | VAL | 0 | 0.009 | 0.009 | 45.354 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | L | 194 | CYS | 0 | -0.045 | -0.023 | 46.895 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | L | 135 | LEU | 0 | -0.040 | -0.003 | 43.607 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | L | 136 | LEU | 0 | 0.030 | 0.012 | 43.454 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | L | 137 | ASN | 0 | 0.009 | -0.022 | 42.958 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | L | 138 | ASN | 0 | 0.034 | 0.014 | 40.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | L | 139 | PHE | 0 | -0.005 | 0.013 | 40.554 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | L | 140 | TYR | 0 | 0.018 | 0.003 | 35.869 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | L | 141 | PRO | 0 | 0.022 | 0.010 | 39.004 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | L | 142 | ARG | 1 | 0.970 | 0.973 | 34.302 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | L | 143 | GLU | -1 | -0.877 | -0.910 | 38.394 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | L | 144 | ALA | 0 | 0.020 | 0.005 | 40.783 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | L | 145 | LYS | 1 | 0.809 | 0.893 | 41.655 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | L | 146 | VAL | 0 | 0.030 | 0.016 | 44.745 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | L | 147 | GLN | 0 | 0.004 | 0.002 | 47.159 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | L | 148 | TRP | 0 | 0.019 | 0.004 | 46.815 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | L | 149 | LYS | 1 | 0.841 | 0.901 | 51.537 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | L | 150 | VAL | 0 | 0.001 | 0.009 | 54.734 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | L | 151 | ASP | -1 | -0.782 | -0.884 | 57.406 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | L | 152 | ASN | 0 | -0.022 | -0.023 | 59.135 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | L | 153 | ALA | 0 | 0.007 | 0.023 | 58.274 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | L | 154 | LEU | 0 | -0.035 | -0.015 | 51.427 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | L | 155 | GLN | 0 | -0.024 | -0.007 | 51.084 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | L | 156 | SER | 0 | -0.006 | -0.004 | 48.521 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | L | 157 | GLY | 0 | 0.048 | 0.020 | 47.119 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | L | 158 | ASN | 0 | -0.043 | -0.040 | 47.214 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | L | 159 | SER | 0 | 0.029 | 0.023 | 45.598 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | L | 160 | GLN | 0 | -0.024 | -0.028 | 39.034 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | L | 161 | GLU | -1 | -0.896 | -0.953 | 40.052 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | L | 162 | SER | 0 | -0.040 | -0.039 | 35.956 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | L | 163 | VAL | 0 | -0.003 | -0.001 | 33.895 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | L | 164 | THR | 0 | -0.014 | -0.021 | 34.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | L | 165 | GLU | -1 | -0.847 | -0.922 | 28.478 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | L | 166 | GLN | 0 | -0.058 | -0.025 | 31.648 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | L | 167 | ASP | -1 | -0.829 | -0.914 | 31.985 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | L | 168 | SER | 0 | -0.043 | -0.032 | 30.598 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | L | 169 | LYS | 1 | 0.890 | 0.949 | 32.472 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | L | 170 | ASP | -1 | -0.792 | -0.890 | 35.943 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | L | 171 | SER | 0 | -0.026 | 0.002 | 34.493 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | L | 172 | THR | 0 | -0.031 | 0.001 | 36.105 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | L | 173 | TYR | 0 | -0.048 | -0.061 | 33.377 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | L | 174 | SER | 0 | 0.058 | 0.028 | 37.905 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | L | 175 | LEU | 0 | -0.049 | -0.017 | 38.394 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | L | 176 | SER | 0 | -0.004 | 0.006 | 40.321 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | L | 177 | SER | 0 | 0.062 | 0.030 | 41.368 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | L | 178 | THR | 0 | -0.014 | -0.019 | 43.236 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | L | 179 | LEU | 0 | 0.012 | 0.024 | 45.346 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | L | 180 | THR | 0 | 0.001 | -0.017 | 46.731 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | L | 181 | LEU | 0 | -0.029 | -0.008 | 48.737 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | L | 182 | SER | 0 | 0.030 | -0.016 | 51.978 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | L | 183 | LYS | 1 | 0.848 | 0.893 | 54.142 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | L | 184 | ALA | 0 | 0.031 | 0.011 | 56.957 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | L | 185 | ASP | -1 | -0.844 | -0.895 | 56.103 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | L | 186 | TYR | 0 | 0.043 | 0.016 | 55.755 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | L | 187 | GLU | -1 | -0.824 | -0.916 | 57.670 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | L | 188 | LYS | 1 | 0.832 | 0.923 | 60.057 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | L | 189 | HIS | 1 | 0.859 | 0.941 | 58.874 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | L | 190 | LYS | 1 | 0.918 | 0.949 | 61.962 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | L | 191 | VAL | 0 | 0.053 | 0.036 | 59.585 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | L | 192 | TYR | 0 | -0.017 | -0.016 | 55.081 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | L | 193 | ALA | 0 | 0.015 | 0.003 | 55.741 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | L | 195 | GLU | -1 | -0.845 | -0.909 | 52.286 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | L | 196 | VAL | 0 | 0.009 | 0.004 | 47.561 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | L | 197 | THR | 0 | -0.018 | -0.007 | 47.911 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | L | 198 | HIS | 0 | 0.059 | 0.004 | 43.019 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | L | 199 | GLN | 0 | 0.028 | 0.012 | 42.817 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | L | 200 | GLY | 0 | 0.014 | 0.005 | 47.289 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | L | 201 | LEU | 0 | -0.091 | -0.038 | 48.903 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | L | 202 | SER | 0 | 0.008 | 0.001 | 51.641 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | L | 203 | SER | 0 | -0.007 | -0.001 | 54.648 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | L | 204 | PRO | 0 | 0.010 | 0.001 | 52.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | L | 205 | VAL | 0 | 0.002 | 0.021 | 52.328 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | L | 206 | THR | 0 | 0.016 | -0.001 | 52.998 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | L | 207 | LYS | 1 | 0.830 | 0.930 | 53.074 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | L | 208 | SER | 0 | 0.025 | -0.003 | 54.831 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | L | 209 | PHE | 0 | -0.021 | -0.022 | 54.520 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | L | 210 | ASN | 0 | -0.014 | -0.017 | 59.261 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | L | 211 | ARG | 1 | 0.832 | 0.912 | 59.968 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | L | 212 | GLY | 0 | -0.046 | -0.016 | 61.524 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | L | 213 | GLU | -1 | -0.772 | -0.845 | 61.599 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | R | 334 | ASN | 0 | 0.036 | -0.001 | 57.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | R | 335 | LEU | 0 | 0.015 | 0.020 | 56.252 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | R | 361 | CYS | 0 | -0.081 | -0.002 | 51.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | R | 337 | PRO | 0 | 0.019 | 0.019 | 49.307 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | R | 338 | PHE | 0 | 0.038 | -0.005 | 47.687 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | R | 339 | GLY | 0 | 0.003 | 0.006 | 47.958 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | R | 340 | GLU | -1 | -0.828 | -0.911 | 46.949 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | R | 341 | VAL | 0 | -0.013 | -0.001 | 42.734 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | R | 342 | PHE | 0 | 0.007 | -0.015 | 43.401 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | R | 343 | ASN | 0 | -0.015 | -0.007 | 44.436 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | R | 344 | ALA | 0 | 0.019 | 0.032 | 42.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | R | 345 | THR | 0 | 0.009 | -0.010 | 42.900 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | R | 346 | ARG | 1 | 0.927 | 0.960 | 37.700 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | R | 347 | PHE | 0 | 0.043 | 0.031 | 36.488 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | R | 348 | ALA | 0 | -0.004 | 0.003 | 33.798 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | R | 349 | SER | 0 | 0.035 | 0.006 | 28.714 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | R | 350 | VAL | 0 | 0.010 | 0.020 | 27.347 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | R | 351 | TYR | 0 | 0.015 | 0.004 | 25.768 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | R | 352 | ALA | 0 | -0.063 | -0.028 | 27.628 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | R | 353 | TRP | 0 | -0.045 | -0.001 | 30.657 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | R | 354 | ASN | 0 | -0.008 | -0.004 | 33.374 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | R | 355 | ARG | 1 | 0.818 | 0.891 | 36.940 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | R | 356 | LYS | 1 | 0.818 | 0.907 | 39.335 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | R | 357 | ARG | 1 | 0.869 | 0.928 | 43.093 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | R | 358 | ILE | 0 | -0.037 | -0.020 | 45.505 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | R | 359 | SER | 0 | 0.042 | -0.004 | 48.731 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | R | 360 | ASN | 0 | -0.022 | -0.026 | 51.803 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | R | 362 | VAL | 0 | 0.036 | 0.019 | 55.992 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | R | 363 | ALA | 0 | -0.012 | -0.028 | 52.734 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | R | 364 | ASP | -1 | -0.800 | -0.877 | 54.669 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | R | 365 | TYR | 0 | 0.033 | -0.011 | 49.240 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | R | 366 | SER | 0 | -0.012 | -0.009 | 52.440 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | R | 367 | VAL | 0 | -0.038 | -0.032 | 53.802 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | R | 368 | LEU | 0 | -0.029 | 0.001 | 47.890 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | R | 369 | TYR | 0 | -0.026 | -0.021 | 48.829 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | R | 370 | ASN | 0 | -0.037 | -0.029 | 51.235 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | R | 371 | SER | 0 | 0.024 | 0.020 | 49.415 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | R | 372 | ALA | 0 | -0.026 | -0.012 | 50.239 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | R | 373 | SER | 0 | -0.019 | -0.002 | 47.439 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | R | 374 | PHE | 0 | -0.043 | -0.022 | 43.797 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | R | 375 | SER | 0 | 0.014 | 0.010 | 40.250 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | R | 376 | THR | 0 | -0.029 | -0.017 | 38.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | R | 377 | PHE | 0 | 0.068 | 0.031 | 41.722 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | R | 378 | LYS | 1 | 0.860 | 0.936 | 41.687 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | R | 432 | CYS | 0 | -0.096 | -0.021 | 43.164 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | R | 380 | TYR | 0 | 0.040 | 0.013 | 38.615 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | R | 381 | GLY | 0 | 0.069 | 0.030 | 43.914 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | R | 382 | VAL | 0 | -0.023 | -0.012 | 46.714 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | R | 383 | SER | 0 | -0.002 | 0.007 | 48.810 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | R | 384 | PRO | 0 | 0.090 | 0.024 | 49.244 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | R | 385 | THR | 0 | -0.035 | -0.035 | 51.362 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | R | 386 | LYS | 1 | 0.940 | 0.975 | 54.145 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | R | 387 | LEU | 0 | -0.013 | 0.014 | 49.446 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | R | 388 | ASN | 0 | 0.011 | -0.004 | 53.669 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | R | 389 | ASP | -1 | -0.930 | -0.960 | 56.096 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | R | 390 | LEU | 0 | -0.037 | -0.005 | 52.822 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | R | 525 | CYS | 0 | -0.014 | -0.014 | 54.378 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | R | 392 | PHE | 0 | 0.019 | 0.002 | 50.400 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | R | 393 | THR | 0 | -0.035 | -0.020 | 50.141 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | R | 394 | ASN | 0 | 0.004 | 0.011 | 47.672 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | R | 395 | VAL | 0 | 0.028 | 0.018 | 46.621 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | R | 396 | TYR | 0 | -0.079 | -0.064 | 41.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | R | 397 | ALA | 0 | 0.021 | 0.008 | 42.509 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | R | 398 | ASP | -1 | -0.720 | -0.795 | 36.800 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | R | 399 | SER | 0 | -0.018 | -0.009 | 37.790 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | R | 400 | PHE | 0 | -0.011 | -0.018 | 32.653 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | R | 401 | VAL | 0 | -0.007 | 0.004 | 32.114 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | R | 402 | ILE | 0 | -0.031 | -0.002 | 29.390 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | R | 403 | ARG | 1 | 0.796 | 0.885 | 24.112 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | R | 404 | GLY | 0 | 0.047 | 0.026 | 30.529 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | R | 405 | ASP | -1 | -0.833 | -0.932 | 28.852 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | R | 406 | GLU | -1 | -0.844 | -0.911 | 25.805 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | R | 407 | VAL | 0 | -0.017 | -0.007 | 29.909 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | R | 408 | ARG | 1 | 0.850 | 0.920 | 27.348 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | R | 409 | GLN | 0 | 0.040 | 0.006 | 26.028 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | R | 410 | ILE | 0 | -0.036 | 0.000 | 31.007 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | R | 411 | ALA | 0 | 0.023 | -0.005 | 33.714 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | R | 412 | PRO | 0 | 0.010 | 0.022 | 34.111 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | R | 413 | GLY | 0 | 0.053 | 0.038 | 32.871 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | R | 414 | GLN | 0 | -0.081 | -0.031 | 30.535 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | R | 415 | THR | 0 | -0.007 | -0.011 | 25.279 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | R | 416 | GLY | 0 | 0.026 | 0.007 | 23.781 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | R | 417 | LYS | 1 | 0.909 | 0.963 | 17.473 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | R | 418 | ILE | 0 | 0.001 | 0.016 | 22.763 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | R | 419 | ALA | 0 | 0.048 | 0.028 | 26.222 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | R | 420 | ASP | -1 | -0.790 | -0.880 | 23.307 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | R | 421 | TYR | 0 | -0.011 | -0.019 | 18.879 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | R | 422 | ASN | 0 | -0.040 | -0.023 | 23.337 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | R | 423 | TYR | 0 | 0.015 | -0.042 | 26.641 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | R | 424 | LYS | 1 | 0.869 | 0.957 | 27.344 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | R | 425 | LEU | 0 | 0.000 | 0.010 | 30.921 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | R | 426 | PRO | 0 | -0.019 | -0.011 | 33.689 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | R | 427 | ASP | -1 | -0.881 | -0.969 | 34.102 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | R | 428 | ASP | -1 | -0.939 | -0.964 | 36.750 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | R | 429 | PHE | 0 | -0.062 | -0.022 | 38.481 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | R | 430 | THR | 0 | 0.004 | 0.000 | 40.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | R | 431 | GLY | 0 | 0.021 | -0.003 | 43.240 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | R | 433 | VAL | 0 | 0.018 | 0.016 | 37.486 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | R | 434 | ILE | 0 | -0.016 | -0.006 | 40.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | R | 435 | ALA | 0 | 0.021 | 0.000 | 37.918 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | R | 436 | TRP | 0 | 0.002 | 0.001 | 39.701 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | R | 437 | ASN | 0 | -0.008 | 0.001 | 38.147 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | R | 438 | SER | 0 | 0.018 | -0.019 | 37.387 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | R | 439 | ASN | 0 | 0.032 | 0.010 | 36.270 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | R | 440 | ASN | 0 | -0.019 | -0.009 | 38.124 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | R | 441 | LEU | 0 | -0.028 | -0.004 | 39.957 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | R | 442 | ASP | -1 | -0.726 | -0.787 | 35.060 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | R | 443 | SER | 0 | -0.036 | -0.018 | 34.437 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | R | 444 | LYS | 1 | 0.910 | 0.956 | 33.431 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | R | 445 | VAL | 0 | 0.047 | 0.007 | 34.432 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | R | 446 | GLY | 0 | -0.006 | -0.010 | 32.339 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | R | 447 | GLY | 0 | 0.020 | 0.030 | 30.170 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | R | 448 | ASN | 0 | -0.092 | -0.060 | 31.230 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | R | 449 | TYR | 0 | 0.052 | 0.018 | 26.263 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | R | 450 | ASN | 0 | -0.018 | -0.006 | 27.897 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | R | 451 | TYR | 0 | -0.057 | -0.038 | 29.645 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | R | 452 | LEU | 0 | -0.002 | -0.002 | 24.615 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | R | 453 | TYR | 0 | 0.020 | 0.001 | 20.508 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | R | 454 | ARG | 1 | 0.789 | 0.869 | 20.722 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | R | 455 | LEU | 0 | -0.002 | 0.020 | 15.686 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | R | 456 | PHE | 0 | 0.006 | 0.011 | 12.295 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | R | 457 | ARG | 1 | 0.776 | 0.852 | 16.595 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | R | 458 | LYS | 1 | 0.845 | 0.914 | 15.764 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | R | 459 | SER | 0 | 0.002 | 0.006 | 17.594 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | R | 460 | ASN | 0 | 0.043 | 0.014 | 20.739 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | R | 461 | LEU | 0 | -0.088 | -0.013 | 23.646 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | R | 462 | LYS | 1 | 0.945 | 0.970 | 26.741 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | R | 463 | PRO | 0 | 0.024 | -0.008 | 30.068 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | R | 464 | PHE | 0 | -0.015 | -0.006 | 33.049 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | R | 465 | GLU | -1 | -0.834 | -0.891 | 27.271 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | R | 466 | ARG | 1 | 0.877 | 0.929 | 29.955 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | R | 467 | ASP | -1 | -0.756 | -0.835 | 23.952 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | R | 468 | ILE | 0 | 0.039 | 0.009 | 26.402 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | R | 469 | SER | 0 | -0.046 | -0.029 | 23.125 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | R | 470 | THR | 0 | 0.022 | 0.003 | 21.883 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | R | 471 | GLU | -1 | -0.829 | -0.884 | 18.062 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | R | 472 | ILE | 0 | -0.025 | -0.008 | 13.893 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | R | 473 | TYR | 0 | -0.054 | -0.044 | 12.001 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | R | 474 | GLN | 0 | 0.009 | -0.018 | 10.295 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | R | 475 | ALA | 0 | 0.008 | 0.008 | 8.400 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | R | 476 | GLY | 0 | 0.018 | 0.004 | 6.175 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | R | 477 | SER | 0 | -0.014 | -0.004 | 5.955 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | R | 478 | THR | 0 | -0.037 | -0.012 | 6.536 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | R | 479 | PRO | 0 | 0.016 | 0.010 | 8.706 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | R | 488 | CYS | 0 | 0.034 | 0.039 | 7.067 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | R | 481 | ASN | 0 | -0.045 | -0.022 | 12.739 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | R | 482 | GLY | 0 | 0.016 | 0.017 | 16.239 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | R | 483 | VAL | 0 | -0.026 | -0.012 | 13.811 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | R | 484 | GLU | -1 | -0.832 | -0.921 | 13.340 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | R | 485 | GLY | 0 | -0.002 | -0.014 | 10.343 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | R | 486 | PHE | 0 | -0.028 | -0.010 | 2.217 | -0.932 | -0.798 | 2.853 | -0.708 | -2.279 | -0.003 |
579 | R | 487 | ASN | 0 | -0.012 | -0.004 | 3.171 | -0.648 | -0.219 | 0.023 | -0.118 | -0.334 | 0.001 |
580 | R | 489 | TYR | 0 | 0.096 | 0.051 | 7.543 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | R | 490 | PHE | 0 | 0.050 | 0.014 | 13.221 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | R | 491 | PRO | 0 | -0.039 | -0.005 | 16.863 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | R | 492 | LEU | 0 | -0.031 | -0.016 | 18.071 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | R | 493 | GLN | 0 | 0.036 | 0.028 | 17.081 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | R | 494 | SER | 0 | -0.002 | -0.012 | 20.825 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | R | 495 | TYR | 0 | -0.029 | -0.047 | 23.466 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | R | 496 | GLY | 0 | 0.051 | 0.034 | 26.080 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | R | 497 | PHE | 0 | 0.007 | -0.003 | 27.219 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | R | 498 | GLN | 0 | 0.008 | 0.019 | 29.826 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | R | 499 | PRO | 0 | 0.015 | 0.016 | 32.971 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | R | 500 | THR | 0 | -0.013 | -0.021 | 33.481 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | R | 501 | ASN | 0 | -0.044 | -0.018 | 29.728 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | R | 502 | GLY | 0 | 0.055 | 0.032 | 32.318 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | R | 503 | VAL | 0 | -0.001 | -0.011 | 33.302 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | R | 504 | GLY | 0 | 0.031 | 0.029 | 32.390 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | R | 505 | TYR | 0 | 0.015 | 0.000 | 28.060 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | R | 506 | GLN | 0 | -0.028 | -0.008 | 30.545 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | R | 507 | PRO | 0 | -0.011 | 0.005 | 32.869 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | R | 508 | TYR | 0 | 0.000 | -0.002 | 33.785 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | R | 509 | ARG | 1 | 0.767 | 0.874 | 34.970 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | R | 510 | VAL | 0 | -0.003 | -0.010 | 34.818 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | R | 511 | VAL | 0 | -0.005 | -0.020 | 37.735 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | R | 512 | VAL | 0 | -0.019 | -0.005 | 36.747 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | R | 513 | LEU | 0 | -0.021 | -0.002 | 40.074 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | R | 514 | SER | 0 | 0.032 | 0.010 | 40.742 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | R | 515 | PHE | 0 | 0.018 | 0.007 | 43.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | R | 516 | GLU | -1 | -0.751 | -0.846 | 45.436 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | R | 517 | LEU | 0 | 0.013 | 0.001 | 47.317 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | R | 518 | LEU | 0 | -0.009 | 0.016 | 44.905 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | R | 519 | HIS | 0 | -0.039 | -0.021 | 47.911 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | R | 520 | ALA | 0 | 0.048 | 0.020 | 52.245 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | R | 521 | PRO | 0 | -0.033 | -0.016 | 55.183 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | R | 522 | ALA | 0 | 0.025 | 0.008 | 54.926 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | R | 523 | THR | 0 | -0.076 | -0.045 | 52.942 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | R | 524 | VAL | 0 | -0.003 | 0.006 | 51.190 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | R | 526 | GLY | 0 | 0.047 | 0.043 | 56.703 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |