FMODB ID: LL859
Calculation Name: 4AEF-A-Xray308
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4AEF
Chain ID: A
UniProt ID: Q8TZP8
Base Structure: X-ray
Registration Date: 2021-09-06
Reference: C. Watanabe, S. Koyama, K. Kamisaka, D. Takaya, T. Honma et. al., Interaction energy analysis of Apo structure dataset on FMODB, To be pubulished.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 1.20200116 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 638 |
LigandCharge | |
Software | ABINIT-MP - Open Ver.1 Rev. 15 / 20190524 |
Total energy (hartree)
FMO2-HF: Electronic energy | -16597586.89281 |
---|---|
FMO2-HF: Nuclear repulsion | 16337856.174407 |
FMO2-HF: Total energy | -259730.718403 |
FMO2-MP2: Total energy | -260501.730808 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:1:MET )
Summations of interaction energy for
fragment #1(A:1:MET )
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. |
-129.185 | -139.399 | 51.969 | -22.664 | -19.091 | -0.196 |
Interaction energy analysis for fragmet #1(A:1:MET )
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 3 | LYS | 1 | 0.959 | 0.987 | 2.689 | 35.515 | 38.276 | 0.342 | -0.817 | -2.286 | -0.001 |
4 | A | 4 | LEU | 0 | 0.030 | 0.021 | 4.786 | 1.485 | 1.551 | 0.000 | -0.013 | -0.053 | 0.000 |
5 | A | 5 | VAL | 0 | -0.050 | -0.021 | 6.534 | 1.538 | 1.538 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | SER | 0 | -0.045 | -0.021 | 8.764 | 2.164 | 2.164 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | PHE | 0 | 0.052 | 0.010 | 12.505 | -0.817 | -0.817 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | ARG | 1 | 0.881 | 0.951 | 15.795 | 17.110 | 17.110 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | ASP | -1 | -0.839 | -0.922 | 18.724 | -12.515 | -12.515 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | SER | 0 | -0.050 | -0.042 | 21.570 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | GLU | -1 | -0.883 | -0.937 | 23.536 | -10.633 | -10.633 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | ILE | 0 | -0.010 | 0.000 | 24.686 | 0.370 | 0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | PHE | 0 | 0.022 | -0.017 | 21.643 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | GLY | 0 | 0.040 | 0.056 | 23.093 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | ARG | 1 | 0.811 | 0.862 | 19.282 | 14.637 | 14.637 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | VAL | 0 | -0.051 | -0.018 | 17.097 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | ALA | 0 | 0.029 | 0.009 | 12.407 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | GLU | -1 | -0.890 | -0.932 | 11.938 | -20.471 | -20.471 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | VAL | 0 | -0.008 | -0.021 | 7.135 | -0.982 | -0.982 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | GLU | -1 | -0.941 | -0.975 | 4.413 | -36.546 | -36.236 | 0.001 | -0.032 | -0.278 | 0.000 |
21 | A | 21 | PHE | 0 | 0.018 | 0.011 | 4.629 | -7.677 | -7.493 | 0.000 | -0.083 | -0.100 | 0.000 |
22 | A | 22 | SER | 0 | -0.009 | -0.027 | 2.724 | 7.243 | 9.556 | 0.196 | -1.069 | -1.439 | -0.005 |
23 | A | 23 | LEU | 0 | 0.038 | 0.031 | 1.814 | -38.941 | -41.382 | 9.429 | -4.108 | -2.881 | -0.048 |
24 | A | 24 | ILE | 0 | 0.009 | -0.002 | 4.062 | 9.138 | 9.274 | 0.001 | -0.058 | -0.080 | 0.000 |
25 | A | 25 | ARG | 1 | 0.908 | 0.990 | 7.477 | 21.979 | 21.979 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | GLU | -1 | -0.993 | -0.996 | 10.177 | -21.269 | -21.269 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | GLY | 0 | 0.057 | 0.036 | 12.727 | 0.366 | 0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | SER | 0 | -0.111 | -0.065 | 14.970 | 0.769 | 0.769 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | TYR | 0 | -0.056 | -0.031 | 15.226 | 0.677 | 0.677 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | ALA | 0 | 0.035 | 0.025 | 10.314 | -0.558 | -0.558 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | TYR | 0 | -0.088 | -0.078 | 11.661 | 1.385 | 1.385 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | LEU | 0 | 0.011 | 0.020 | 7.094 | -2.025 | -2.025 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | LEU | 0 | -0.076 | -0.034 | 9.466 | 3.542 | 3.542 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | GLY | 0 | 0.113 | 0.034 | 10.062 | -3.203 | -3.203 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | ASP | -1 | -0.789 | -0.866 | 12.373 | -19.709 | -19.709 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | PHE | 0 | -0.001 | 0.000 | 10.168 | 1.471 | 1.471 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | ASN | 0 | -0.037 | -0.029 | 14.035 | 0.846 | 0.846 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | ALA | 0 | 0.008 | 0.010 | 17.141 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | PHE | 0 | -0.041 | -0.024 | 11.830 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | ASN | 0 | -0.042 | -0.016 | 15.296 | 1.298 | 1.298 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | GLU | -1 | -0.794 | -0.891 | 15.540 | -19.098 | -19.098 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | GLY | 0 | 0.001 | -0.015 | 16.653 | 0.925 | 0.925 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | SER | 0 | -0.002 | 0.016 | 16.715 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | PHE | 0 | 0.027 | -0.009 | 12.736 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | ARG | 1 | 0.850 | 0.929 | 12.846 | 16.792 | 16.792 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | MET | 0 | -0.076 | -0.010 | 5.880 | -0.511 | -0.511 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | GLU | -1 | -0.824 | -0.912 | 11.513 | -18.175 | -18.175 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | GLN | 0 | -0.072 | -0.062 | 11.366 | -1.832 | -1.832 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | GLU | -1 | -0.846 | -0.881 | 8.702 | -26.066 | -26.066 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | GLY | 0 | 0.058 | 0.000 | 10.446 | 1.686 | 1.686 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | LYS | 1 | 0.915 | 0.969 | 10.210 | 21.323 | 21.323 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | ASN | 0 | 0.010 | -0.051 | 6.272 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | TRP | 0 | 0.000 | 0.041 | 7.621 | 2.690 | 2.690 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | LYS | 1 | 0.876 | 0.909 | 4.928 | 26.793 | 26.793 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | ILE | 0 | 0.010 | 0.010 | 7.926 | 4.097 | 4.097 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | LYS | 1 | 0.913 | 0.974 | 8.686 | 18.501 | 18.501 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | ILE | 0 | 0.010 | 0.008 | 10.490 | 2.281 | 2.281 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | ALA | 0 | 0.001 | 0.008 | 12.309 | -0.632 | -0.632 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | LEU | 0 | -0.003 | -0.018 | 11.685 | 0.488 | 0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | PRO | 0 | 0.001 | 0.012 | 15.147 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | GLU | -1 | -0.714 | -0.832 | 15.815 | -16.956 | -16.956 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | GLY | 0 | -0.004 | -0.013 | 15.635 | 1.098 | 1.098 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | VAL | 0 | -0.054 | -0.027 | 13.100 | -1.524 | -1.524 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | TRP | 0 | -0.019 | -0.006 | 11.567 | 1.121 | 1.121 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | HIS | 0 | -0.034 | -0.035 | 11.261 | -1.737 | -1.737 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | TYR | 0 | -0.048 | -0.054 | 3.147 | 4.047 | 4.845 | 0.006 | -0.405 | -0.399 | 0.000 |
67 | A | 67 | ALA | 0 | -0.005 | 0.003 | 7.481 | -0.376 | -0.376 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | PHE | 0 | 0.022 | -0.003 | 3.121 | -1.143 | -0.833 | 0.017 | -0.071 | -0.256 | 0.000 |
69 | A | 69 | SER | 0 | -0.037 | -0.022 | 8.669 | 2.455 | 2.455 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | ILE | 0 | 0.016 | -0.006 | 8.967 | -0.976 | -0.976 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | ASP | -1 | -0.838 | -0.932 | 12.828 | -17.596 | -17.596 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | GLY | 0 | -0.017 | 0.003 | 15.693 | 1.173 | 1.173 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | LYN | 0 | -0.050 | -0.019 | 14.931 | 0.677 | 0.677 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | PHE | 0 | -0.043 | -0.030 | 12.498 | -1.755 | -1.755 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | VAL | 0 | 0.017 | 0.003 | 8.552 | 0.889 | 0.889 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | LEU | 0 | 0.000 | -0.003 | 8.005 | -2.605 | -2.605 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | ASP | -1 | -0.766 | -0.877 | 1.695 | -137.576 | -157.969 | 39.153 | -11.794 | -6.966 | -0.106 |
78 | A | 78 | PRO | 0 | -0.032 | -0.008 | 3.951 | 3.927 | 4.124 | 0.000 | -0.031 | -0.166 | 0.000 |
79 | A | 79 | ASP | -1 | -0.873 | -0.938 | 2.214 | -81.601 | -76.430 | 2.819 | -4.094 | -3.896 | -0.036 |
80 | A | 80 | ASN | 0 | -0.076 | -0.040 | 3.499 | 10.847 | 11.207 | 0.005 | -0.083 | -0.282 | 0.000 |
81 | A | 81 | PRO | 0 | 0.025 | 0.001 | 4.884 | 4.265 | 4.279 | 0.000 | -0.006 | -0.009 | 0.000 |
82 | A | 82 | GLU | -1 | -0.867 | -0.928 | 7.830 | -21.718 | -21.718 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | ARG | 1 | 0.856 | 0.948 | 6.793 | 33.498 | 33.498 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | ARG | 1 | 0.860 | 0.887 | 11.406 | 21.491 | 21.491 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | VAL | 0 | -0.001 | 0.014 | 14.380 | -0.752 | -0.752 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | TYR | 0 | -0.039 | 0.007 | 15.447 | 0.866 | 0.866 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | THR | 0 | -0.037 | -0.035 | 17.328 | 0.495 | 0.495 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | ARG | 1 | 0.865 | 0.924 | 20.260 | 14.830 | 14.830 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | LYS | 1 | 0.906 | 0.957 | 22.570 | 11.548 | 11.548 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | GLY | 0 | -0.022 | -0.013 | 25.704 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | TYR | 0 | -0.023 | -0.042 | 18.615 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | LYS | 1 | 0.843 | 0.919 | 23.395 | 10.446 | 10.446 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | PHE | 0 | 0.022 | 0.035 | 14.974 | -0.285 | -0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | HIS | 0 | 0.028 | -0.012 | 20.223 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | ARG | 1 | 0.906 | 0.974 | 15.428 | 19.644 | 19.644 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | GLU | -1 | -0.918 | -0.953 | 12.683 | -22.435 | -22.435 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | VAL | 0 | -0.048 | -0.022 | 11.102 | -0.744 | -0.744 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | ASN | 0 | 0.019 | 0.017 | 6.570 | -2.390 | -2.390 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | VAL | 0 | 0.036 | 0.023 | 8.655 | 2.067 | 2.067 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | ALA | 0 | 0.006 | -0.001 | 7.686 | -4.238 | -4.238 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | ARG | 1 | 0.849 | 0.923 | 8.785 | 25.394 | 25.394 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | ILE | 0 | -0.030 | -0.005 | 9.243 | -0.936 | -0.936 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | VAL | 0 | 0.031 | -0.003 | 12.374 | 1.634 | 1.634 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | LYS | 1 | 0.832 | 0.913 | 14.290 | 14.182 | 14.182 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | SER | 0 | -0.005 | -0.018 | 15.577 | 0.534 | 0.534 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | ASP | -1 | -0.879 | -0.912 | 17.136 | -13.490 | -13.490 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | ASP | -1 | -0.877 | -0.940 | 19.771 | -13.175 | -13.175 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | LEU | 0 | 0.030 | 0.015 | 21.491 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | VAL | 0 | 0.008 | -0.004 | 24.752 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | PHE | 0 | -0.038 | -0.014 | 23.844 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | HIS | 0 | 0.028 | 0.004 | 26.005 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | THR | 0 | 0.007 | 0.011 | 26.235 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | PRO | 0 | -0.025 | -0.001 | 28.447 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | SER | 0 | 0.002 | -0.013 | 27.536 | -0.346 | -0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | LEU | 0 | -0.038 | -0.016 | 28.689 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | LEU | 0 | 0.010 | -0.014 | 24.986 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | TYR | 0 | -0.047 | -0.013 | 23.458 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | LEU | 0 | -0.020 | 0.023 | 29.942 | 0.330 | 0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | TYR | 0 | 0.005 | 0.022 | 32.504 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | GLU | -1 | -0.908 | -0.973 | 35.055 | -7.472 | -7.472 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | ILE | 0 | -0.020 | -0.018 | 36.873 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | PHE | 0 | -0.014 | -0.004 | 39.696 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | GLY | 0 | 0.059 | 0.037 | 43.124 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | ARG | 1 | 0.856 | 0.919 | 41.935 | 7.195 | 7.195 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | VAL | 0 | 0.080 | 0.065 | 37.934 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | HIS | 0 | -0.043 | -0.011 | 35.248 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | VAL | 0 | 0.009 | 0.008 | 34.051 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | LEU | 0 | -0.019 | -0.013 | 27.407 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | LEU | 0 | -0.003 | 0.006 | 29.169 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | ARG | 1 | 0.847 | 0.939 | 20.469 | 14.285 | 14.285 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | THR | 0 | 0.033 | 0.003 | 26.051 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | GLN | 0 | 0.026 | 0.011 | 21.883 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | LYS | 1 | 0.889 | 0.937 | 23.182 | 13.477 | 13.477 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | GLY | 0 | -0.058 | -0.036 | 25.040 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | VAL | 0 | 0.013 | 0.024 | 25.740 | 0.377 | 0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | ILE | 0 | -0.031 | -0.021 | 28.759 | 0.383 | 0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | LYS | 1 | 0.918 | 0.950 | 31.317 | 8.283 | 8.283 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | GLY | 0 | -0.032 | -0.028 | 34.760 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | ALA | 0 | 0.024 | 0.014 | 34.046 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | THR | 0 | -0.009 | -0.004 | 36.193 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | PHE | 0 | 0.012 | 0.005 | 36.865 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | LEU | 0 | -0.008 | -0.010 | 38.861 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | GLY | 0 | 0.042 | 0.015 | 40.811 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | GLU | -1 | -0.956 | -0.982 | 42.405 | -6.438 | -6.438 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | LYS | 1 | 0.930 | 0.972 | 45.050 | 6.667 | 6.667 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | HIS | 0 | 0.036 | 0.021 | 43.587 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | VAL | 0 | -0.036 | -0.020 | 41.627 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | PRO | 0 | -0.011 | 0.000 | 40.696 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | MET | 0 | -0.019 | 0.007 | 33.633 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | ARG | 1 | 0.943 | 0.964 | 36.222 | 8.640 | 8.640 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | LYS | 1 | 0.883 | 0.955 | 29.724 | 10.125 | 10.125 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | LYS | 1 | 0.803 | 0.916 | 30.367 | 10.337 | 10.337 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | ALA | 0 | 0.014 | 0.000 | 28.357 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | SER | 0 | -0.047 | -0.053 | 26.239 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | ASP | -1 | -0.786 | -0.797 | 20.943 | -14.631 | -14.631 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | GLU | -1 | -0.840 | -0.919 | 16.314 | -18.286 | -18.286 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | LEU | 0 | -0.031 | -0.011 | 15.475 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | PHE | 0 | -0.004 | 0.000 | 18.856 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | ASP | -1 | -0.759 | -0.826 | 23.264 | -11.141 | -11.141 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | TYR | 0 | -0.069 | -0.097 | 22.439 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | PHE | 0 | 0.025 | 0.005 | 28.777 | 0.419 | 0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | GLU | -1 | -0.882 | -0.955 | 32.137 | -9.481 | -9.481 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | VAL | 0 | 0.014 | 0.006 | 34.456 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | ILE | 0 | -0.029 | -0.002 | 37.613 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | VAL | 0 | 0.000 | -0.012 | 40.214 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | GLU | -1 | -0.974 | -0.997 | 42.464 | -6.660 | -6.660 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | GLY | 0 | 0.075 | 0.005 | 43.240 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | GLY | 0 | -0.054 | 0.017 | 43.899 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | ASP | -1 | -0.899 | -0.948 | 44.470 | -6.717 | -6.717 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | LYS | 1 | 0.927 | 0.927 | 43.181 | 6.614 | 6.614 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | ARG | 1 | 0.884 | 0.935 | 40.218 | 7.262 | 7.262 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | LEU | 0 | 0.082 | 0.048 | 39.089 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | ASN | 0 | 0.013 | 0.007 | 39.535 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | TYR | 0 | -0.003 | -0.025 | 33.396 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | SER | 0 | 0.034 | 0.046 | 35.974 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | PHE | 0 | 0.009 | 0.003 | 32.901 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | GLU | -1 | -0.907 | -0.937 | 36.058 | -7.629 | -7.629 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | VAL | 0 | -0.001 | -0.005 | 31.726 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | LEU | 0 | -0.009 | 0.001 | 35.047 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | THR | 0 | 0.070 | 0.030 | 31.822 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | MET | 0 | -0.029 | -0.014 | 31.955 | 0.453 | 0.453 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | GLU | -1 | -0.967 | -0.973 | 31.036 | -9.464 | -9.464 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | GLY | 0 | -0.019 | -0.011 | 35.354 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | ALA | 0 | -0.031 | -0.003 | 34.061 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | LYS | 1 | 0.943 | 0.961 | 36.102 | 7.449 | 7.449 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | PHE | 0 | -0.031 | -0.012 | 30.367 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | GLU | -1 | -0.856 | -0.919 | 35.880 | -7.932 | -7.932 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | TYR | 0 | -0.031 | -0.026 | 26.844 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | GLY | 0 | 0.010 | -0.011 | 32.481 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | GLN | 0 | 0.047 | 0.021 | 33.104 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | PHE | 0 | -0.022 | -0.018 | 30.238 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | LYS | 1 | 0.889 | 0.935 | 35.591 | 7.730 | 7.730 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | ALA | 0 | -0.042 | -0.030 | 35.101 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | ARG | 1 | 0.928 | 0.985 | 37.183 | 8.172 | 8.172 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | PRO | 0 | 0.021 | -0.003 | 36.114 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | PHE | 0 | -0.014 | 0.009 | 31.298 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | SER | 0 | 0.010 | -0.012 | 34.736 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | ILE | 0 | -0.013 | 0.000 | 32.033 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | GLU | -1 | -0.888 | -0.943 | 35.114 | -7.965 | -7.965 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | PHE | 0 | -0.082 | -0.064 | 35.975 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | PRO | 0 | 0.061 | 0.051 | 38.048 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | THR | 0 | 0.032 | -0.005 | 41.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | TRP | 0 | -0.044 | -0.032 | 40.894 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | VAL | 0 | -0.004 | -0.004 | 39.013 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | ILE | 0 | 0.019 | -0.001 | 39.402 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | ASP | -1 | -0.920 | -0.951 | 42.002 | -6.936 | -6.936 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | ARG | 1 | 0.714 | 0.856 | 41.930 | 7.157 | 7.157 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | VAL | 0 | -0.009 | 0.001 | 42.708 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | PHE | 0 | -0.014 | -0.027 | 39.663 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | TYR | 0 | -0.048 | -0.053 | 41.737 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | GLN | 0 | -0.007 | -0.023 | 35.514 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | ILE | 0 | 0.019 | 0.004 | 40.489 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | MET | 0 | 0.029 | 0.015 | 38.376 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | PRO | 0 | -0.013 | -0.020 | 41.653 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | ASP | -1 | -0.873 | -0.943 | 43.164 | -7.090 | -7.090 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | LYS | 1 | 0.885 | 0.953 | 41.704 | 7.696 | 7.696 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | PHE | 0 | 0.023 | 0.030 | 45.429 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | ALA | 0 | 0.070 | 0.019 | 47.318 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | ARG | 1 | 0.908 | 0.995 | 50.751 | 6.052 | 6.052 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | SER | 0 | -0.040 | -0.014 | 52.634 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | ARG | 1 | 0.937 | 0.958 | 55.205 | 5.689 | 5.689 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | LYS | 1 | 0.895 | 0.956 | 58.240 | 5.428 | 5.428 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | ILE | 0 | 0.014 | 0.002 | 58.239 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | GLN | 0 | -0.037 | -0.021 | 55.849 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | NME | 0 | 0.018 | 0.021 | 55.891 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 233 | ACE | 0 | -0.010 | -0.013 | 44.835 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 234 | TRP | 0 | -0.013 | -0.024 | 45.755 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 235 | GLY | 0 | 0.029 | 0.002 | 47.146 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 236 | GLY | 0 | -0.028 | 0.010 | 47.955 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 237 | ASP | -1 | -0.786 | -0.911 | 47.837 | -6.362 | -6.362 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 238 | LEU | 0 | 0.016 | -0.019 | 45.495 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 239 | ILE | 0 | -0.066 | -0.022 | 49.355 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 240 | GLY | 0 | 0.046 | 0.009 | 52.177 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 241 | ILE | 0 | -0.028 | -0.014 | 46.145 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 242 | LYS | 1 | 0.955 | 0.980 | 50.446 | 5.827 | 5.827 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 243 | GLU | -1 | -0.874 | -0.937 | 53.159 | -5.626 | -5.626 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 244 | LYS | 1 | 0.888 | 0.970 | 52.019 | 5.967 | 5.967 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 245 | ILE | 0 | 0.039 | 0.016 | 52.109 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 246 | ASP | -1 | -0.869 | -0.927 | 53.708 | -5.729 | -5.729 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 247 | HIS | 0 | -0.029 | -0.030 | 50.156 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 248 | LEU | 0 | -0.023 | -0.010 | 48.258 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 249 | VAL | 0 | 0.009 | 0.003 | 51.315 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 250 | ASN | 0 | -0.047 | -0.018 | 53.646 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 251 | LEU | 0 | -0.074 | -0.019 | 47.462 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 252 | GLY | 0 | 0.000 | 0.004 | 51.142 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 253 | ILE | 0 | -0.022 | 0.005 | 45.928 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 254 | ASN | 0 | 0.043 | 0.016 | 45.994 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 255 | ALA | 0 | 0.040 | 0.013 | 42.394 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 256 | ILE | 0 | 0.000 | 0.007 | 42.930 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 257 | TYR | 0 | -0.043 | -0.019 | 34.164 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 258 | LEU | 0 | -0.032 | -0.019 | 39.711 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 259 | THR | 0 | 0.034 | 0.020 | 36.856 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 260 | PRO | 0 | -0.049 | -0.013 | 35.113 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 261 | ILE | 0 | 0.058 | 0.021 | 37.990 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 262 | PHE | 0 | -0.005 | 0.008 | 36.962 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 263 | SER | 0 | -0.013 | 0.004 | 40.910 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 264 | SER | 0 | 0.032 | 0.015 | 38.331 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 265 | LEU | 0 | -0.024 | -0.003 | 37.512 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 266 | THR | 0 | -0.007 | -0.011 | 37.815 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 267 | TYR | 0 | -0.046 | -0.037 | 40.231 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 268 | HIS | 0 | -0.015 | -0.006 | 36.310 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 269 | GLY | 0 | 0.020 | 0.008 | 37.736 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 270 | TYR | 0 | -0.016 | -0.027 | 31.816 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 271 | ASP | -1 | -0.778 | -0.890 | 32.672 | -9.102 | -9.102 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 272 | ILE | 0 | -0.002 | -0.004 | 34.516 | 0.327 | 0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 273 | VAL | 0 | -0.027 | -0.033 | 36.070 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 274 | ASP | -1 | -0.856 | -0.946 | 38.786 | -7.520 | -7.520 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 275 | TYR | 0 | 0.004 | -0.015 | 32.450 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 276 | PHE | 0 | -0.007 | 0.005 | 39.138 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 277 | HIS | 1 | 0.861 | 0.934 | 42.555 | 7.264 | 7.264 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 278 | VAL | 0 | 0.018 | 0.017 | 43.239 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 279 | ALA | 0 | -0.023 | -0.019 | 43.137 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 280 | ARG | 1 | 0.976 | 0.972 | 45.061 | 6.549 | 6.549 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 281 | ARG | 1 | 0.879 | 0.945 | 41.874 | 7.654 | 7.654 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 282 | LEU | 0 | 0.007 | 0.022 | 43.172 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 283 | GLY | 0 | 0.087 | 0.039 | 47.833 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 284 | GLY | 0 | -0.055 | -0.021 | 49.069 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 285 | ASP | -1 | -0.834 | -0.949 | 47.496 | -6.849 | -6.849 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 286 | ARG | 1 | 0.970 | 0.987 | 49.674 | 5.774 | 5.774 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 287 | ALA | 0 | 0.046 | 0.034 | 50.743 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 288 | PHE | 0 | 0.040 | 0.012 | 44.358 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 289 | VAL | 0 | -0.021 | -0.003 | 49.167 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 290 | ASP | -1 | -0.895 | -0.957 | 51.350 | -5.782 | -5.782 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 291 | LEU | 0 | -0.060 | -0.027 | 47.724 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 292 | LEU | 0 | 0.023 | 0.005 | 46.436 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 293 | SER | 0 | -0.039 | -0.011 | 50.045 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 294 | GLU | -1 | -0.815 | -0.900 | 53.373 | -5.601 | -5.601 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 295 | LEU | 0 | 0.007 | -0.010 | 47.627 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 296 | LYS | 1 | 0.887 | 0.944 | 47.814 | 6.733 | 6.733 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 297 | ARG | 1 | 0.832 | 0.920 | 52.121 | 5.565 | 5.565 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 298 | PHE | 0 | -0.059 | -0.022 | 53.312 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 299 | ASP | -1 | -0.870 | -0.924 | 50.275 | -6.623 | -6.623 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 300 | ILE | 0 | -0.027 | -0.001 | 47.054 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 301 | LYS | 1 | 0.857 | 0.948 | 43.749 | 6.900 | 6.900 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 302 | VAL | 0 | 0.001 | -0.016 | 42.832 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 303 | ILE | 0 | -0.033 | 0.014 | 36.786 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 304 | LEU | 0 | -0.017 | -0.014 | 38.612 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 305 | ASP | -1 | -0.714 | -0.854 | 33.158 | -9.931 | -9.931 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 306 | GLY | 0 | -0.018 | -0.006 | 33.253 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 307 | VAL | 0 | 0.005 | 0.013 | 30.543 | -0.339 | -0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 308 | PHE | 0 | 0.039 | -0.001 | 29.092 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 309 | HIS | 0 | 0.048 | 0.042 | 22.604 | -0.838 | -0.838 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 310 | HIS | 0 | 0.071 | 0.042 | 25.803 | -0.732 | -0.732 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 311 | THR | 0 | 0.035 | 0.029 | 28.258 | 0.295 | 0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 312 | SER | 0 | 0.005 | 0.005 | 31.308 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 313 | PHE | 0 | 0.015 | 0.010 | 32.047 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 314 | PHE | 0 | -0.011 | -0.030 | 33.756 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 315 | HIS | 0 | 0.039 | 0.053 | 35.236 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 316 | PRO | 0 | 0.010 | -0.005 | 37.064 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 317 | TYR | 0 | 0.011 | -0.002 | 34.628 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 318 | PHE | 0 | 0.045 | 0.028 | 29.391 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 319 | GLN | 0 | -0.051 | -0.031 | 34.207 | 0.295 | 0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 320 | ASP | -1 | -0.823 | -0.915 | 37.308 | -8.279 | -8.279 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 321 | VAL | 0 | 0.019 | 0.009 | 31.315 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 322 | VAL | 0 | -0.049 | -0.018 | 33.971 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 323 | ARG | 1 | 0.866 | 0.943 | 35.647 | 8.014 | 8.014 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 324 | LYS | 1 | 0.857 | 0.939 | 37.567 | 8.072 | 8.072 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 325 | GLY | 0 | 0.044 | 0.044 | 33.770 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 326 | GLU | -1 | -0.865 | -0.955 | 32.192 | -9.729 | -9.729 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 327 | ASN | 0 | -0.003 | -0.005 | 34.205 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 328 | SER | 0 | -0.016 | -0.014 | 34.873 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 329 | SER | 0 | -0.061 | -0.043 | 34.722 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 330 | PHE | 0 | -0.002 | -0.010 | 33.636 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 331 | LYS | 1 | 0.951 | 0.985 | 30.483 | 9.413 | 9.413 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 332 | ASN | 0 | -0.051 | -0.021 | 26.509 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 333 | PHE | 0 | 0.019 | 0.012 | 28.112 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 334 | TYR | 0 | 0.026 | 0.006 | 27.065 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 335 | ARG | 1 | 0.872 | 0.951 | 19.436 | 15.539 | 15.539 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 336 | ILE | 0 | -0.013 | 0.002 | 24.035 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 337 | ILE | 0 | 0.004 | 0.010 | 20.742 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 338 | LYS | 1 | 0.901 | 0.949 | 23.177 | 12.888 | 12.888 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 339 | PHE | 0 | 0.069 | 0.014 | 25.971 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 340 | PRO | 0 | -0.063 | 0.048 | 28.818 | 0.330 | 0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 341 | VAL | 0 | 0.028 | -0.038 | 29.709 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 342 | VAL | 0 | 0.005 | 0.003 | 30.010 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 343 | SER | 0 | 0.007 | -0.007 | 32.544 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 344 | LYS | 1 | 1.030 | 0.998 | 31.781 | 10.118 | 10.118 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 345 | GLU | -1 | -0.859 | -0.888 | 36.634 | -7.518 | -7.518 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 346 | PHE | 0 | -0.001 | -0.036 | 35.531 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 347 | LEU | 0 | 0.047 | 0.017 | 32.243 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 348 | GLN | 0 | 0.073 | 0.012 | 36.185 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 349 | ILE | 0 | 0.011 | 0.022 | 39.333 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 350 | LEU | 0 | -0.062 | -0.040 | 36.474 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 351 | HIS | 0 | 0.063 | 0.033 | 37.705 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 352 | SER | 0 | -0.007 | 0.017 | 40.264 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 353 | LYS | 1 | 0.922 | 0.974 | 43.371 | 7.290 | 7.290 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 354 | SER | 0 | -0.024 | -0.001 | 45.129 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 355 | SER | 0 | -0.016 | -0.039 | 42.346 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 356 | TRP | 0 | -0.030 | -0.032 | 43.427 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 357 | GLU | -1 | -0.836 | -0.911 | 38.683 | -8.367 | -8.367 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 358 | GLU | -1 | -0.906 | -0.935 | 38.796 | -8.302 | -8.302 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 359 | LYS | 1 | 0.847 | 0.921 | 38.311 | 7.511 | 7.511 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 360 | TYR | 0 | -0.006 | -0.007 | 30.933 | -0.389 | -0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 361 | LYS | 1 | 0.933 | 0.953 | 31.210 | 9.648 | 9.648 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 362 | LYS | 1 | 0.948 | 1.002 | 33.394 | 8.625 | 8.625 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 363 | ILE | 0 | 0.017 | -0.001 | 32.210 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 364 | LYS | 1 | 0.922 | 0.969 | 27.825 | 10.992 | 10.992 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 365 | SER | 0 | -0.015 | -0.037 | 28.999 | -0.434 | -0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 366 | LEU | 0 | -0.064 | -0.003 | 29.741 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 367 | GLY | 0 | 0.039 | 0.042 | 27.388 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 368 | TRP | 0 | -0.072 | -0.046 | 25.240 | 0.773 | 0.773 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 369 | ASN | 0 | -0.019 | -0.014 | 25.581 | -0.716 | -0.716 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 370 | TYR | 0 | -0.024 | -0.043 | 24.729 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 371 | GLU | -1 | -0.685 | -0.804 | 19.497 | -16.778 | -16.778 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 372 | SER | 0 | 0.002 | -0.007 | 22.608 | 0.780 | 0.780 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 373 | PHE | 0 | 0.015 | 0.026 | 22.479 | -0.697 | -0.697 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 374 | PHE | 0 | 0.071 | 0.040 | 19.771 | 0.495 | 0.495 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 375 | SER | 0 | -0.010 | -0.017 | 22.426 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 376 | VAL | 0 | -0.023 | -0.002 | 24.772 | 0.612 | 0.612 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 377 | TRP | 0 | 0.053 | 0.031 | 27.887 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 378 | ILE | 0 | -0.030 | 0.006 | 28.923 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 379 | MET | 0 | -0.035 | -0.026 | 28.254 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 380 | PRO | 0 | -0.030 | 0.005 | 27.008 | -0.571 | -0.571 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 381 | ARG | 1 | 0.848 | 0.893 | 19.189 | 15.978 | 15.978 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 382 | LEU | 0 | -0.044 | -0.021 | 25.246 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 383 | ASN | 0 | -0.034 | -0.013 | 23.771 | -0.982 | -0.982 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 384 | HIS | 0 | 0.034 | -0.010 | 22.532 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 385 | ASP | -1 | -0.855 | -0.907 | 20.179 | -15.825 | -15.825 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 386 | ASN | 0 | -0.086 | -0.030 | 23.450 | 0.620 | 0.620 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 387 | PRO | 0 | 0.092 | 0.022 | 26.967 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 388 | LYS | 1 | 0.956 | 0.972 | 29.540 | 10.419 | 10.419 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 389 | VAL | 0 | -0.013 | 0.010 | 27.906 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 390 | ARG | 1 | 0.880 | 0.905 | 22.994 | 13.227 | 13.227 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 391 | GLU | -1 | -0.863 | -0.920 | 30.076 | -9.215 | -9.215 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 392 | PHE | 0 | -0.055 | -0.029 | 32.865 | 0.337 | 0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 393 | ILE | 0 | 0.015 | 0.010 | 28.696 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 394 | LYS | 1 | 0.909 | 0.953 | 32.022 | 10.234 | 10.234 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 395 | ASN | 0 | 0.004 | -0.005 | 34.775 | 0.361 | 0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 396 | VAL | 0 | -0.054 | -0.010 | 35.769 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 397 | ILE | 0 | 0.012 | 0.005 | 32.677 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 398 | LEU | 0 | 0.054 | 0.015 | 37.259 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 399 | PHE | 0 | -0.037 | 0.006 | 40.011 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 400 | TRP | 0 | -0.036 | -0.039 | 39.504 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 401 | THR | 0 | 0.001 | 0.009 | 39.484 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 402 | ASN | 0 | -0.053 | -0.051 | 42.165 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 403 | LYS | 1 | 0.858 | 0.952 | 45.203 | 7.151 | 7.151 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 404 | GLY | 0 | -0.002 | 0.006 | 45.862 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 405 | VAL | 0 | -0.031 | 0.001 | 40.538 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 406 | ASP | -1 | -0.825 | -0.915 | 42.416 | -7.239 | -7.239 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 407 | GLY | 0 | 0.072 | 0.006 | 38.383 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 408 | PHE | 0 | -0.054 | -0.040 | 34.158 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 409 | ARG | 1 | 0.894 | 0.942 | 30.179 | 10.210 | 10.210 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 410 | MET | 0 | -0.080 | -0.046 | 28.672 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 411 | ASP | -1 | -0.818 | -0.947 | 28.501 | -11.341 | -11.341 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 412 | VAL | 0 | -0.014 | -0.010 | 23.218 | -0.340 | -0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 413 | ALA | 0 | 0.010 | 0.013 | 23.959 | -0.478 | -0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 414 | HIS | 0 | 0.075 | 0.039 | 19.846 | -0.460 | -0.460 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 415 | GLY | 0 | -0.011 | -0.008 | 19.197 | -1.072 | -1.072 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 416 | VAL | 0 | -0.059 | -0.027 | 20.633 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 417 | PRO | 0 | 0.002 | 0.005 | 19.259 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 418 | PRO | 0 | 0.032 | 0.009 | 19.031 | 0.881 | 0.881 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 419 | GLU | -1 | -0.900 | -0.965 | 21.639 | -12.599 | -12.599 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 420 | VAL | 0 | -0.014 | 0.008 | 23.594 | 0.623 | 0.623 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 421 | TRP | 0 | 0.018 | -0.013 | 23.999 | 0.905 | 0.905 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 422 | LYS | 1 | 0.948 | 0.989 | 25.696 | 12.652 | 12.652 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 423 | GLU | -1 | -0.810 | -0.892 | 27.635 | -11.121 | -11.121 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 424 | VAL | 0 | -0.059 | -0.030 | 29.677 | 0.480 | 0.480 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 425 | ARG | 1 | 0.837 | 0.918 | 30.638 | 10.350 | 10.350 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 426 | GLU | -1 | -0.993 | -0.989 | 31.956 | -9.519 | -9.519 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 427 | ALA | 0 | -0.025 | -0.011 | 33.869 | 0.328 | 0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 428 | LEU | 0 | -0.054 | -0.013 | 35.166 | 0.347 | 0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 429 | PRO | 0 | -0.039 | -0.027 | 37.300 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 430 | LYS | 1 | 1.009 | 0.984 | 38.858 | 8.156 | 8.156 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 431 | GLU | -1 | -0.862 | -0.930 | 40.163 | -7.506 | -7.506 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 432 | LYS | 1 | 0.850 | 0.949 | 38.675 | 7.622 | 7.622 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 433 | TYR | 0 | -0.047 | -0.035 | 34.972 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 434 | LEU | 0 | -0.012 | -0.005 | 30.925 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 435 | ILE | 0 | 0.006 | 0.009 | 31.008 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 436 | GLY | 0 | 0.049 | 0.021 | 27.657 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 437 | GLU | -1 | -0.884 | -0.935 | 26.168 | -11.619 | -11.619 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 438 | VAL | 0 | -0.007 | -0.020 | 22.372 | -0.429 | -0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 439 | MET | 0 | -0.019 | -0.024 | 22.121 | 0.469 | 0.469 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 440 | ASP | -1 | -0.732 | -0.847 | 18.820 | -16.341 | -16.341 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 441 | ASP | -1 | -0.840 | -0.910 | 18.886 | -14.873 | -14.873 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 442 | ALA | 0 | 0.051 | 0.009 | 20.435 | -0.361 | -0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 443 | ARG | 1 | 0.869 | 0.929 | 19.894 | 15.661 | 15.661 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 444 | LEU | 0 | -0.024 | -0.017 | 16.130 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 445 | TRP | 0 | -0.071 | -0.038 | 18.574 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 446 | LEU | 0 | 0.011 | 0.021 | 23.602 | 0.656 | 0.656 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 447 | PHE | 0 | -0.019 | -0.011 | 24.398 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 448 | ASP | -1 | -0.810 | -0.898 | 26.603 | -11.910 | -11.910 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 449 | LYS | 1 | 0.824 | 0.913 | 22.663 | 13.589 | 13.589 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 450 | PHE | 0 | -0.027 | 0.001 | 25.257 | 0.461 | 0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 451 | HIS | 0 | 0.004 | 0.007 | 29.481 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 452 | GLY | 0 | 0.050 | 0.009 | 30.240 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 453 | VAL | 0 | -0.030 | -0.021 | 25.897 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 454 | MET | 0 | -0.042 | 0.019 | 28.692 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 455 | ASN | 0 | 0.021 | 0.009 | 27.887 | -0.868 | -0.868 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 456 | TYR | 0 | 0.075 | 0.026 | 25.427 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 457 | ARG | 1 | 0.915 | 0.969 | 20.513 | 14.379 | 14.379 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 458 | LEU | 0 | -0.002 | 0.014 | 25.973 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 459 | TYR | 0 | 0.005 | 0.006 | 28.664 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 460 | ASP | -1 | -0.789 | -0.913 | 25.578 | -12.407 | -12.407 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 461 | ALA | 0 | 0.003 | 0.011 | 27.930 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 462 | ILE | 0 | -0.016 | -0.016 | 29.793 | 0.338 | 0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 463 | LEU | 0 | -0.019 | -0.003 | 29.010 | 0.338 | 0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 464 | ARG | 1 | 0.957 | 0.992 | 26.240 | 12.082 | 12.082 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 465 | PHE | 0 | -0.037 | 0.006 | 31.291 | 0.291 | 0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 466 | PHE | 0 | -0.004 | -0.020 | 34.535 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 467 | GLY | 0 | -0.011 | 0.003 | 35.059 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 468 | TYR | 0 | 0.007 | -0.007 | 30.949 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 469 | GLU | -1 | -0.907 | -0.933 | 34.913 | -7.827 | -7.827 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 470 | GLU | -1 | -0.886 | -0.960 | 29.840 | -10.660 | -10.660 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 471 | ILE | 0 | -0.063 | -0.007 | 29.747 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 472 | THR | 0 | -0.081 | -0.051 | 33.014 | 0.391 | 0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 473 | ALA | 0 | 0.010 | 0.003 | 34.740 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 474 | GLU | -1 | -0.784 | -0.907 | 34.914 | -8.613 | -8.613 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 475 | GLU | -1 | -0.854 | -0.928 | 30.445 | -10.466 | -10.466 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 476 | PHE | 0 | 0.006 | -0.001 | 30.708 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 477 | LEU | 0 | -0.011 | -0.010 | 31.968 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 478 | ASN | 0 | 0.045 | 0.016 | 26.824 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 479 | GLU | -1 | -0.918 | -0.966 | 25.762 | -12.781 | -12.781 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 480 | LEU | 0 | -0.065 | -0.026 | 28.459 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 481 | GLU | -1 | -0.851 | -0.940 | 30.691 | -9.502 | -9.502 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 482 | LEU | 0 | -0.048 | -0.013 | 24.018 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 483 | LEU | 0 | -0.016 | -0.003 | 25.435 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 484 | SER | 0 | -0.027 | 0.008 | 27.646 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 485 | SER | 0 | -0.035 | -0.022 | 27.208 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 486 | TYR | 0 | -0.091 | -0.083 | 21.886 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 487 | TYR | 0 | 0.018 | -0.018 | 23.923 | -0.465 | -0.465 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 488 | GLY | 0 | 0.072 | 0.045 | 27.892 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 489 | PRO | 0 | -0.004 | -0.002 | 30.878 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 490 | ALA | 0 | 0.051 | 0.011 | 29.610 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 491 | GLU | -1 | -0.811 | -0.897 | 31.350 | -9.774 | -9.774 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 492 | TYR | 0 | -0.037 | -0.035 | 32.178 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 493 | LEU | 0 | -0.006 | 0.000 | 33.657 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 494 | MET | 0 | -0.057 | 0.016 | 27.481 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 495 | TYR | 0 | 0.041 | 0.032 | 32.147 | 0.398 | 0.398 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 496 | ASN | 0 | 0.039 | -0.002 | 32.808 | -0.591 | -0.591 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 497 | PHE | 0 | -0.008 | 0.002 | 29.753 | 0.295 | 0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 498 | LEU | 0 | 0.021 | 0.016 | 34.346 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 499 | ASH | 0 | -0.085 | -0.087 | 34.884 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 500 | ASN | 0 | 0.052 | 0.028 | 31.367 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 501 | HIS | 0 | 0.052 | 0.037 | 32.758 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 502 | ASP | -1 | -0.906 | -0.950 | 30.127 | -10.289 | -10.289 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 503 | VAL | 0 | -0.048 | 0.002 | 30.306 | -0.275 | -0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 504 | GLU | -1 | -0.853 | -0.931 | 32.589 | -9.580 | -9.580 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 505 | ARG | 1 | 0.783 | 0.871 | 35.692 | 7.681 | 7.681 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 506 | PHE | 0 | 0.030 | -0.003 | 35.065 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 507 | LEU | 0 | -0.024 | -0.011 | 38.438 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 508 | ASP | -1 | -0.793 | -0.919 | 39.534 | -7.554 | -7.554 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 509 | ILE | 0 | -0.056 | 0.004 | 34.071 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 510 | VAL | 0 | -0.007 | -0.005 | 38.094 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 511 | GLY | 0 | 0.024 | 0.044 | 40.466 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 512 | ASP | -1 | -0.845 | -0.933 | 43.563 | -6.733 | -6.733 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 513 | LYS | 1 | 0.926 | 0.939 | 45.064 | 6.309 | 6.309 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 514 | ARG | 1 | 0.878 | 0.925 | 47.178 | 6.612 | 6.612 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 515 | LYS | 1 | 0.872 | 0.931 | 41.986 | 7.592 | 7.592 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 516 | TYR | 0 | 0.067 | 0.032 | 41.374 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 517 | VAL | 0 | 0.024 | 0.014 | 43.175 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 518 | CYS | 0 | -0.052 | -0.009 | 43.508 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 519 | ALA | 0 | 0.034 | 0.031 | 39.091 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 520 | LEU | 0 | 0.002 | 0.000 | 40.468 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 521 | VAL | 0 | -0.012 | -0.009 | 42.633 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 522 | PHE | 0 | 0.017 | 0.014 | 35.514 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 523 | LEU | 0 | -0.031 | -0.009 | 37.073 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 524 | MET | 0 | -0.016 | -0.004 | 39.560 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 525 | THR | 0 | -0.040 | 0.000 | 42.075 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 526 | TYR | 0 | 0.047 | 0.035 | 33.227 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 527 | LYS | 1 | 0.841 | 0.927 | 34.482 | 9.394 | 9.394 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 528 | GLY | 0 | 0.051 | 0.027 | 35.588 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 529 | ILE | 0 | -0.018 | -0.004 | 36.378 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 530 | PRO | 0 | -0.019 | 0.011 | 37.267 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 531 | SER | 0 | -0.025 | -0.034 | 37.104 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 532 | LEU | 0 | 0.009 | -0.001 | 39.637 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 533 | PHE | 0 | 0.024 | 0.029 | 38.783 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 534 | TYR | 0 | 0.005 | -0.036 | 40.678 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 535 | GLY | 0 | 0.072 | 0.032 | 43.747 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 536 | ASP | -1 | -0.770 | -0.843 | 41.072 | -7.779 | -7.779 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 537 | GLU | -1 | -0.807 | -0.875 | 44.658 | -6.795 | -6.795 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 538 | ILE | 0 | -0.027 | -0.012 | 47.905 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 539 | GLY | 0 | -0.015 | -0.010 | 46.928 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 540 | LEU | 0 | -0.056 | -0.010 | 44.824 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 541 | ARG | 1 | 0.829 | 0.916 | 43.684 | 6.966 | 6.966 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 542 | GLY | 0 | -0.016 | -0.015 | 41.404 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 543 | ILE | 0 | -0.029 | -0.010 | 42.244 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 544 | ASN | 0 | 0.098 | 0.058 | 42.065 | -0.350 | -0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 545 | LEU | 0 | -0.082 | -0.042 | 40.290 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 546 | GLN | 0 | -0.058 | -0.046 | 40.774 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 547 | GLY | 0 | 0.009 | 0.008 | 40.861 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 548 | MET | 0 | -0.059 | -0.007 | 35.677 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 549 | GLU | -1 | -0.837 | -0.932 | 38.148 | -7.489 | -7.489 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 550 | SER | 0 | -0.003 | 0.000 | 37.373 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 551 | SER | 0 | 0.025 | 0.006 | 36.358 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 552 | ARG | 1 | 0.846 | 0.911 | 33.487 | 9.326 | 9.326 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 553 | ALA | 0 | 0.036 | 0.029 | 40.531 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 554 | PRO | 0 | -0.008 | 0.003 | 44.017 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 555 | MET | 0 | 0.011 | 0.023 | 46.903 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 556 | LEU | 0 | 0.009 | 0.014 | 48.414 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 557 | TRP | 0 | -0.041 | -0.050 | 50.609 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 558 | ASN | 0 | 0.000 | 0.016 | 54.716 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 559 | GLU | -1 | -0.869 | -0.957 | 56.425 | -5.585 | -5.585 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 560 | GLU | -1 | -0.979 | -0.972 | 57.695 | -5.317 | -5.317 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 561 | GLU | -1 | -0.953 | -0.999 | 54.044 | -5.970 | -5.970 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 562 | TRP | 0 | -0.096 | -0.041 | 52.990 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 563 | ASP | -1 | -0.764 | -0.816 | 51.290 | -6.125 | -6.125 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 564 | GLN | 0 | 0.064 | -0.009 | 52.932 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 565 | ARG | 1 | 0.950 | 1.001 | 53.592 | 5.710 | 5.710 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 566 | ILE | 0 | -0.010 | -0.005 | 47.602 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 567 | LEU | 0 | 0.031 | 0.052 | 50.339 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 568 | GLU | -1 | -0.955 | -0.978 | 52.086 | -5.678 | -5.678 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 569 | ILE | 0 | -0.006 | -0.021 | 48.898 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 570 | THR | 0 | -0.023 | -0.039 | 46.935 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 571 | LYS | 1 | 0.952 | 0.984 | 49.191 | 5.776 | 5.776 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 572 | THR | 0 | -0.061 | -0.029 | 51.839 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 573 | LEU | 0 | -0.007 | -0.008 | 46.066 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 574 | VAL | 0 | 0.031 | 0.016 | 46.599 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 575 | LYS | 1 | 0.917 | 0.963 | 48.400 | 5.836 | 5.836 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 576 | ILE | 0 | -0.017 | -0.019 | 49.046 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 577 | ARG | 1 | 0.826 | 0.900 | 40.141 | 7.768 | 7.768 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 578 | LYS | 1 | 0.863 | 0.923 | 47.484 | 6.426 | 6.426 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 579 | ASN | 0 | -0.034 | -0.010 | 48.827 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 580 | ASN | 0 | 0.091 | 0.060 | 48.643 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 581 | LYS | 1 | 1.029 | 1.008 | 47.810 | 6.138 | 6.138 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 582 | ALA | 0 | 0.007 | 0.018 | 46.569 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 583 | LEU | 0 | -0.052 | -0.030 | 44.293 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 584 | LEU | 0 | -0.053 | -0.005 | 43.006 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 585 | PHE | 0 | -0.009 | -0.020 | 42.354 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 586 | GLY | 0 | -0.012 | 0.008 | 42.294 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 587 | ASN | 0 | 0.025 | 0.030 | 39.991 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 588 | PHE | 0 | 0.038 | -0.014 | 36.582 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 589 | VAL | 0 | -0.001 | 0.007 | 38.949 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 590 | PRO | 0 | 0.022 | 0.016 | 37.231 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 591 | VAL | 0 | -0.056 | -0.019 | 40.298 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 592 | LYS | 1 | 0.873 | 0.918 | 42.405 | 7.107 | 7.107 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 593 | PHE | 0 | 0.029 | 0.021 | 37.213 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 594 | LYS | 1 | 0.954 | 0.976 | 39.417 | 7.564 | 7.564 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 595 | ARG | 1 | 0.942 | 0.983 | 39.373 | 7.941 | 7.941 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 596 | LYS | 1 | 0.919 | 0.943 | 39.099 | 7.631 | 7.631 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 597 | PHE | 0 | 0.013 | 0.011 | 41.390 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 598 | MET | 0 | 0.022 | 0.021 | 38.172 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 599 | VAL | 0 | -0.010 | 0.009 | 42.209 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 600 | TYR | 0 | 0.002 | -0.021 | 41.031 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 601 | LYS | 1 | 0.880 | 0.955 | 43.124 | 7.089 | 7.089 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 602 | ARG | 1 | 0.791 | 0.915 | 41.193 | 7.616 | 7.616 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 603 | GLU | -1 | -0.877 | -0.966 | 44.014 | -6.802 | -6.802 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 604 | HIS | 0 | 0.035 | 0.009 | 44.904 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 605 | MET | 0 | -0.031 | 0.000 | 47.124 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 606 | GLY | 0 | 0.012 | 0.010 | 49.911 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 607 | GLU | -1 | -0.942 | -0.956 | 50.599 | -6.160 | -6.160 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 608 | ARG | 1 | 0.913 | 0.942 | 48.740 | 6.101 | 6.101 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 609 | THR | 0 | -0.005 | -0.013 | 47.551 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 610 | ILE | 0 | -0.087 | -0.052 | 46.924 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 611 | VAL | 0 | 0.018 | 0.011 | 44.368 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 612 | ALA | 0 | -0.015 | 0.000 | 45.108 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 613 | ILE | 0 | 0.018 | 0.001 | 41.820 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 614 | ASN | 0 | -0.042 | 0.000 | 44.327 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 615 | TYR | 0 | 0.006 | -0.006 | 39.650 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 616 | SER | 0 | -0.046 | -0.046 | 43.145 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 617 | ASN | 0 | 0.026 | -0.015 | 45.637 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 618 | SER | 0 | 0.004 | 0.008 | 48.482 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 619 | ARG | 1 | 0.964 | 0.984 | 50.128 | 5.568 | 5.568 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 620 | VAL | 0 | 0.010 | 0.020 | 48.198 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 621 | LYS | 1 | 0.903 | 0.948 | 51.283 | 5.863 | 5.863 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 622 | GLU | -1 | -0.827 | -0.920 | 48.024 | -6.742 | -6.742 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 623 | LEU | 0 | 0.005 | -0.002 | 48.758 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 624 | GLY | 0 | -0.006 | 0.007 | 52.690 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 625 | ILE | 0 | 0.018 | 0.024 | 52.951 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 626 | THR | 0 | -0.055 | -0.052 | 54.813 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 627 | ILE | 0 | 0.010 | 0.015 | 49.390 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 628 | PRO | 0 | 0.009 | -0.012 | 51.950 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 629 | GLU | -1 | -0.904 | -0.939 | 49.841 | -6.205 | -6.205 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 630 | TYR | 0 | -0.042 | -0.027 | 43.553 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 631 | SER | 0 | -0.047 | -0.024 | 47.817 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 632 | GLY | 0 | 0.052 | 0.027 | 47.514 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 633 | VAL | 0 | -0.048 | -0.032 | 48.198 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 634 | ILE | 0 | -0.003 | -0.007 | 47.894 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 635 | ILE | 0 | -0.007 | -0.010 | 50.412 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 636 | ASN | 0 | 0.018 | 0.014 | 51.191 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 637 | GLU | -1 | -0.832 | -0.918 | 53.244 | -6.026 | -6.026 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 638 | ASP | -1 | -0.938 | -0.963 | 56.349 | -5.539 | -5.539 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 639 | LYS | 1 | 0.933 | 0.964 | 56.323 | 5.654 | 5.654 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 640 | VAL | 0 | 0.040 | 0.034 | 54.931 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 641 | LYS | 1 | 0.910 | 0.954 | 53.339 | 5.903 | 5.903 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 642 | LEU | 0 | -0.004 | 0.008 | 52.660 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 643 | ILE | 0 | -0.030 | -0.020 | 48.862 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 644 | LYS | 1 | 0.934 | 0.951 | 50.177 | 5.904 | 5.904 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 645 | TYR | -1 | -0.924 | -0.997 | 50.406 | -5.877 | -5.877 | 0.000 | 0.000 | 0.000 | 0.000 |