FMODB ID: 3N5KL
Calculation Name: 1FOK-A-Xray309
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1FOK
Chain ID: A
UniProt ID: P14870
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 | 576 |
LigandCharge | |
Software | ABINIT-MP - Open Ver.1 Rev. 15 / 20190524 |
Total energy (hartree)
FMO2-HF: Electronic energy | -12563970.183361 |
---|---|
FMO2-HF: Nuclear repulsion | 12337604.946622 |
FMO2-HF: Total energy | -226365.23674 |
FMO2-MP2: Total energy | -227037.664015 |
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:4:LYS )
Summations of interaction energy for
fragment #1(A:4:LYS )
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
91.271 | 95.758 | 0.105 | -1.672 | -2.921 | -0.005 |
Interaction energy analysis for fragmet #1(A:4:LYS )
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 6 | ARG | 1 | 0.860 | 0.924 | 2.898 | 43.573 | 45.370 | 0.051 | -0.629 | -1.218 | 0.002 |
4 | A | 7 | THR | 0 | -0.024 | -0.010 | 5.382 | -0.678 | -0.635 | 0.000 | -0.006 | -0.036 | 0.000 |
5 | A | 8 | PHE | 0 | 0.029 | 0.024 | 6.487 | 1.831 | 1.831 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 9 | GLY | 0 | 0.027 | 0.010 | 11.061 | 0.330 | 0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 10 | TRP | 0 | 0.008 | 0.042 | 14.358 | 1.700 | 1.700 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 11 | VAL | 0 | 0.016 | 0.016 | 15.158 | -0.757 | -0.757 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 12 | GLN | 0 | 0.029 | 0.004 | 17.463 | 0.695 | 0.695 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 13 | ASN | 0 | 0.011 | -0.007 | 19.303 | 0.640 | 0.640 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 14 | PRO | 0 | -0.024 | 0.007 | 18.780 | 0.611 | 0.611 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 15 | GLY | 0 | 0.070 | 0.028 | 21.890 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 16 | LYS | 1 | 0.850 | 0.917 | 25.257 | 10.155 | 10.155 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 17 | PHE | 0 | 0.103 | 0.044 | 25.019 | -0.402 | -0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 18 | GLU | -1 | -0.808 | -0.898 | 26.095 | -10.109 | -10.109 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 19 | ASN | 0 | -0.045 | -0.051 | 23.653 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 20 | LEU | 0 | 0.032 | 0.045 | 20.040 | -0.343 | -0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 21 | LYS | 1 | 0.869 | 0.940 | 22.007 | 9.597 | 9.597 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 22 | ARG | 1 | 0.820 | 0.923 | 23.725 | 10.543 | 10.543 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 23 | VAL | 0 | 0.016 | -0.001 | 17.687 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 24 | VAL | 0 | 0.011 | 0.013 | 19.417 | -0.633 | -0.633 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 25 | GLN | 0 | 0.069 | 0.012 | 20.883 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 26 | VAL | 0 | -0.028 | 0.011 | 19.239 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 27 | PHE | 0 | -0.008 | -0.002 | 14.472 | -0.379 | -0.379 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 28 | ASP | -1 | -0.881 | -0.946 | 20.193 | -11.757 | -11.757 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 29 | ARG | 1 | 0.893 | 0.934 | 23.761 | 12.332 | 12.332 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 30 | ASN | 0 | -0.044 | -0.008 | 25.502 | 0.570 | 0.570 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 31 | SER | 0 | 0.011 | 0.017 | 25.977 | 0.431 | 0.431 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 32 | LYS | 1 | 0.982 | 0.964 | 28.463 | 8.714 | 8.714 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 33 | VAL | 0 | 0.027 | 0.004 | 25.008 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 34 | HIS | 0 | 0.007 | 0.056 | 22.826 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 35 | ASN | 0 | 0.023 | 0.000 | 25.336 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 36 | GLU | -1 | -0.900 | -0.960 | 28.066 | -9.889 | -9.889 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 37 | VAL | 0 | 0.000 | -0.014 | 22.216 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 38 | LYS | 1 | 0.904 | 0.959 | 24.437 | 11.607 | 11.607 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 39 | ASN | 0 | -0.013 | -0.018 | 25.475 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 40 | ILE | 0 | -0.034 | -0.008 | 28.636 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 41 | LYS | 1 | 0.858 | 0.952 | 25.508 | 9.848 | 9.848 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 42 | ILE | 0 | 0.045 | 0.010 | 21.180 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 43 | PRO | 0 | 0.018 | 0.022 | 24.918 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 44 | THR | 0 | -0.079 | -0.035 | 27.787 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 45 | LEU | 0 | -0.031 | -0.035 | 25.752 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 46 | VAL | 0 | -0.032 | 0.009 | 21.722 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 47 | LYS | 1 | 0.931 | 0.954 | 24.519 | 9.649 | 9.649 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 48 | GLU | -1 | -0.879 | -0.927 | 21.374 | -12.237 | -12.237 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 49 | SER | 0 | 0.052 | 0.013 | 23.943 | -0.362 | -0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 50 | LYS | 1 | 0.912 | 0.965 | 19.091 | 13.451 | 13.451 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 51 | ILE | 0 | 0.088 | 0.036 | 17.880 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 52 | GLN | 0 | -0.057 | -0.019 | 20.819 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 53 | LYS | 1 | 0.955 | 0.971 | 23.543 | 10.347 | 10.347 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 54 | GLU | -1 | -0.912 | -0.962 | 18.291 | -14.487 | -14.487 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 55 | LEU | 0 | 0.018 | 0.006 | 16.700 | -0.410 | -0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 56 | VAL | 0 | 0.008 | 0.015 | 20.127 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 57 | ALA | 0 | -0.012 | -0.012 | 21.598 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 58 | ILE | 0 | 0.021 | 0.033 | 16.439 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 59 | MET | 0 | -0.040 | -0.008 | 19.688 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 60 | ASN | 0 | -0.026 | -0.061 | 21.543 | 0.493 | 0.493 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 61 | GLN | 0 | -0.015 | 0.013 | 18.805 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 62 | HIS | 0 | 0.006 | 0.007 | 22.974 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 63 | ASP | -1 | -0.894 | -0.938 | 20.158 | -14.059 | -14.059 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 64 | LEU | 0 | -0.085 | -0.038 | 19.223 | -0.593 | -0.593 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 65 | ILE | 0 | 0.016 | -0.003 | 13.420 | -0.988 | -0.988 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 66 | TYR | 0 | -0.029 | -0.029 | 13.626 | 0.623 | 0.623 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 67 | THR | 0 | -0.001 | -0.013 | 8.727 | -1.544 | -1.544 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 68 | TYR | 0 | -0.015 | -0.037 | 6.432 | 1.359 | 1.359 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 69 | LYS | 1 | 0.966 | 0.974 | 8.362 | 20.510 | 20.510 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 70 | GLU | -1 | -0.787 | -0.891 | 10.300 | -17.589 | -17.589 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 71 | LEU | 0 | -0.009 | 0.010 | 11.354 | 1.403 | 1.403 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 72 | VAL | 0 | -0.039 | -0.017 | 10.828 | 1.121 | 1.121 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 73 | GLY | 0 | 0.026 | 0.022 | 12.620 | 1.100 | 1.100 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 74 | THR | 0 | -0.062 | -0.048 | 12.742 | -0.770 | -0.770 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 75 | GLY | 0 | 0.024 | 0.004 | 15.128 | 0.478 | 0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 76 | THR | 0 | 0.013 | 0.019 | 18.109 | -0.370 | -0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 77 | SER | 0 | 0.013 | -0.001 | 20.994 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 78 | ILE | 0 | 0.043 | 0.032 | 22.436 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 79 | ARG | 1 | 0.895 | 0.933 | 17.557 | 13.282 | 13.282 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 80 | SER | 0 | -0.011 | 0.002 | 24.221 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 81 | GLU | -1 | -0.933 | -0.969 | 26.450 | -9.535 | -9.535 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 82 | ALA | 0 | -0.045 | -0.010 | 21.602 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 83 | PRO | 0 | 0.074 | 0.056 | 21.491 | 0.367 | 0.367 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 84 | CYS | 0 | -0.055 | -0.012 | 21.356 | -0.541 | -0.541 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 85 | ASP | -1 | -0.846 | -0.932 | 17.239 | -13.345 | -13.345 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 86 | ALA | 0 | -0.062 | -0.044 | 15.385 | -0.680 | -0.680 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 87 | ILE | 0 | 0.031 | 0.022 | 15.979 | 0.684 | 0.684 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 88 | ILE | 0 | -0.014 | 0.016 | 14.597 | 0.713 | 0.713 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 89 | GLN | 0 | -0.052 | -0.030 | 16.287 | 1.274 | 1.274 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 90 | ALA | 0 | 0.045 | 0.006 | 19.716 | 0.581 | 0.581 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 91 | THR | 0 | -0.062 | -0.038 | 20.799 | 0.571 | 0.571 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 92 | ILE | 0 | -0.073 | -0.029 | 21.704 | 0.534 | 0.534 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 93 | ALA | 0 | 0.066 | 0.028 | 23.870 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 94 | ASP | -1 | -0.806 | -0.904 | 26.373 | -10.441 | -10.441 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 95 | GLN | 0 | -0.019 | -0.024 | 27.288 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 96 | GLY | 0 | -0.015 | -0.013 | 29.494 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 97 | ASN | 0 | -0.039 | -0.023 | 30.425 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 98 | LYS | 1 | 0.925 | 0.972 | 29.493 | 8.895 | 8.895 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 99 | LYS | 1 | 0.913 | 0.999 | 23.818 | 11.069 | 11.069 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 100 | GLY | 0 | 0.036 | 0.007 | 27.941 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 101 | TYR | 0 | -0.124 | -0.095 | 22.275 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 102 | ILE | 0 | -0.033 | 0.009 | 19.660 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 103 | ASP | -1 | -0.844 | -0.930 | 19.297 | -13.310 | -13.310 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 104 | ASN | 0 | 0.107 | 0.035 | 13.720 | 0.460 | 0.460 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 105 | TRP | 0 | -0.027 | 0.008 | 13.342 | -1.192 | -1.192 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 106 | SER | 0 | 0.046 | 0.001 | 15.801 | -0.347 | -0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 107 | SER | 0 | -0.016 | -0.018 | 15.556 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 108 | ASP | -1 | -0.833 | -0.886 | 10.519 | -21.616 | -21.616 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 109 | GLY | 0 | 0.007 | -0.006 | 13.143 | -0.580 | -0.580 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 110 | PHE | 0 | 0.001 | -0.028 | 15.917 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 111 | LEU | 0 | 0.013 | 0.038 | 9.766 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 112 | ARG | 1 | 0.846 | 0.907 | 11.546 | 19.907 | 19.907 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 113 | TRP | 0 | -0.034 | -0.016 | 13.681 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 114 | ALA | 0 | 0.052 | 0.016 | 16.370 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 115 | HIS | 0 | -0.004 | 0.003 | 11.348 | 0.821 | 0.821 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 116 | ALA | 0 | -0.048 | -0.005 | 14.846 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 117 | LEU | 0 | -0.058 | -0.052 | 16.737 | 0.335 | 0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 118 | GLY | 0 | -0.001 | 0.012 | 17.767 | 0.639 | 0.639 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 119 | PHE | 0 | 0.013 | 0.001 | 18.536 | 0.479 | 0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 120 | ILE | 0 | -0.027 | -0.009 | 13.487 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 121 | GLU | -1 | -0.891 | -0.944 | 12.689 | -21.750 | -21.750 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 122 | TYR | 0 | -0.050 | -0.070 | 3.704 | -4.641 | -4.412 | 0.001 | -0.051 | -0.179 | 0.000 |
120 | A | 123 | ILE | 0 | 0.009 | 0.001 | 8.784 | -0.955 | -0.955 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 124 | ASN | 0 | 0.030 | -0.010 | 3.163 | 5.867 | 6.296 | 0.013 | -0.100 | -0.343 | -0.001 |
122 | A | 125 | LYS | 1 | 0.945 | 0.980 | 4.988 | 27.423 | 27.540 | 0.000 | -0.004 | -0.113 | 0.000 |
123 | A | 126 | SER | 0 | 0.044 | 0.014 | 6.054 | -0.756 | -0.756 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 127 | ASP | -1 | -0.796 | -0.835 | 3.558 | -43.004 | -42.491 | 0.010 | -0.269 | -0.255 | -0.002 |
125 | A | 128 | SER | 0 | -0.038 | -0.033 | 5.992 | 4.586 | 4.586 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 129 | PHE | 0 | -0.028 | -0.011 | 7.849 | -2.539 | -2.539 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 130 | VAL | 0 | 0.045 | 0.023 | 11.749 | 1.039 | 1.039 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 131 | ILE | 0 | -0.039 | 0.009 | 15.505 | -0.280 | -0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 132 | THR | 0 | 0.033 | 0.020 | 17.482 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 133 | ASP | -1 | -0.820 | -0.924 | 19.979 | -13.217 | -13.217 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 134 | VAL | 0 | -0.013 | -0.015 | 22.187 | 0.641 | 0.641 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 135 | GLY | 0 | 0.057 | 0.026 | 21.617 | 0.393 | 0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 136 | LEU | 0 | 0.000 | -0.010 | 22.604 | 0.742 | 0.742 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 137 | ALA | 0 | -0.027 | -0.019 | 24.939 | 0.517 | 0.517 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 138 | TYR | 0 | -0.025 | -0.007 | 23.394 | 0.557 | 0.557 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 139 | SER | 0 | -0.049 | -0.023 | 24.715 | 0.337 | 0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 140 | LYS | 1 | 0.921 | 0.959 | 27.038 | 11.447 | 11.447 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 141 | SER | 0 | -0.068 | -0.008 | 29.658 | 0.472 | 0.472 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 142 | ALA | 0 | 0.096 | 0.032 | 31.541 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 143 | ASP | -1 | -0.885 | -0.936 | 31.235 | -9.704 | -9.704 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 144 | GLY | 0 | -0.050 | -0.021 | 33.585 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 145 | SER | 0 | -0.111 | -0.061 | 33.883 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 146 | ALA | 0 | 0.030 | 0.012 | 34.741 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 147 | ILE | 0 | 0.086 | 0.039 | 32.176 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 148 | GLU | -1 | -0.747 | -0.873 | 29.844 | -10.070 | -10.070 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 149 | LYS | 1 | 0.919 | 0.967 | 30.231 | 8.576 | 8.576 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 150 | GLU | -1 | -0.966 | -0.981 | 31.037 | -9.381 | -9.381 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 151 | ILE | 0 | 0.003 | 0.000 | 26.629 | -0.328 | -0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 152 | LEU | 0 | -0.007 | -0.009 | 25.701 | -0.537 | -0.537 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 153 | ILE | 0 | -0.008 | -0.015 | 26.955 | -0.327 | -0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 154 | GLU | -1 | -0.842 | -0.918 | 26.483 | -11.424 | -11.424 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 155 | ALA | 0 | -0.001 | 0.009 | 23.304 | -0.467 | -0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 156 | ILE | 0 | 0.018 | -0.013 | 23.633 | -0.578 | -0.578 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 157 | SER | 0 | -0.064 | -0.042 | 24.844 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 158 | SER | 0 | -0.065 | -0.019 | 21.816 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 159 | TYR | 0 | -0.068 | -0.054 | 18.321 | -0.672 | -0.672 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 160 | PRO | 0 | 0.048 | 0.017 | 19.202 | 0.647 | 0.647 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 161 | PRO | 0 | 0.018 | 0.014 | 19.678 | 0.721 | 0.721 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 162 | ALA | 0 | 0.008 | -0.006 | 22.762 | 0.518 | 0.518 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 163 | ILE | 0 | 0.007 | 0.010 | 24.999 | 0.607 | 0.607 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 164 | ARG | 1 | 0.857 | 0.959 | 25.236 | 11.859 | 11.859 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 165 | ILE | 0 | -0.003 | -0.001 | 26.602 | 0.454 | 0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 166 | LEU | 0 | 0.020 | 0.001 | 29.150 | 0.390 | 0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 167 | THR | 0 | -0.035 | -0.043 | 29.488 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 168 | LEU | 0 | -0.065 | -0.031 | 29.259 | 0.330 | 0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 169 | LEU | 0 | -0.024 | -0.009 | 32.811 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 170 | GLU | -1 | -0.869 | -0.945 | 34.669 | -8.986 | -8.986 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 171 | ASP | -1 | -0.936 | -0.965 | 37.174 | -7.953 | -7.953 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 172 | GLY | 0 | -0.035 | -0.003 | 39.461 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 173 | GLN | 0 | -0.008 | -0.006 | 38.376 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 174 | HIS | 0 | -0.074 | -0.043 | 38.998 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 175 | LEU | 0 | 0.023 | 0.020 | 34.522 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 176 | THR | 0 | 0.007 | -0.001 | 34.981 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 177 | LYS | 1 | 0.845 | 0.926 | 29.720 | 9.493 | 9.493 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 178 | PHE | 0 | 0.016 | 0.014 | 30.055 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 179 | ASP | -1 | -0.822 | -0.910 | 31.597 | -8.841 | -8.841 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 180 | LEU | 0 | -0.044 | -0.041 | 29.440 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 181 | GLY | 0 | 0.012 | 0.005 | 27.072 | -0.370 | -0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 182 | LYS | 1 | 0.948 | 0.980 | 27.011 | 8.660 | 8.660 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 183 | ASN | 0 | -0.048 | 0.019 | 28.150 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 184 | LEU | 0 | 0.036 | 0.015 | 23.274 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 185 | GLY | 0 | -0.026 | -0.017 | 21.074 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 186 | PHE | 0 | -0.017 | -0.005 | 17.309 | 0.463 | 0.463 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 187 | SER | 0 | -0.082 | -0.081 | 21.147 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 188 | GLY | 0 | 0.032 | 0.039 | 24.338 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 189 | GLU | -1 | -0.823 | -0.916 | 18.234 | -16.787 | -16.787 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 190 | SER | 0 | -0.005 | -0.014 | 17.188 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 191 | GLY | 0 | -0.088 | -0.042 | 17.739 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 192 | PHE | 0 | -0.068 | -0.038 | 17.377 | -0.333 | -0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 193 | THR | 0 | 0.067 | 0.042 | 21.793 | 0.456 | 0.456 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 194 | SER | 0 | -0.057 | -0.050 | 24.797 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 195 | LEU | 0 | 0.007 | -0.012 | 28.102 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 196 | PRO | 0 | 0.031 | 0.013 | 31.111 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 197 | GLU | -1 | -0.849 | -0.940 | 34.475 | -8.160 | -8.160 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 198 | GLY | 0 | -0.010 | 0.000 | 36.591 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 199 | ILE | 0 | 0.078 | 0.033 | 36.366 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 200 | LEU | 0 | -0.021 | 0.005 | 35.505 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 201 | LEU | 0 | 0.001 | -0.017 | 38.040 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 202 | ASP | -1 | -0.882 | -0.938 | 41.074 | -6.778 | -6.778 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 203 | THR | 0 | -0.035 | -0.018 | 39.613 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 204 | LEU | 0 | -0.045 | -0.032 | 38.994 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 205 | ALA | 0 | -0.034 | 0.007 | 42.357 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 206 | ASN | 0 | -0.070 | -0.037 | 45.826 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 207 | ALA | 0 | 0.043 | 0.022 | 44.084 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 208 | MET | 0 | -0.007 | 0.006 | 46.014 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 209 | PRO | 0 | 0.022 | -0.030 | 45.513 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 210 | LYS | 1 | 0.884 | 0.951 | 44.717 | 6.049 | 6.049 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 211 | ASP | -1 | -0.778 | -0.893 | 41.461 | -6.953 | -6.953 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 212 | LYS | 1 | 0.797 | 0.909 | 40.282 | 6.571 | 6.571 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 213 | GLY | 0 | -0.014 | -0.032 | 39.435 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 214 | GLU | -1 | -0.887 | -0.932 | 35.975 | -8.153 | -8.153 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 215 | ILE | 0 | 0.003 | -0.002 | 35.319 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 216 | ARG | 1 | 0.848 | 0.949 | 36.042 | 7.387 | 7.387 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 217 | ASN | 0 | -0.063 | -0.038 | 33.093 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 218 | ASN | 0 | -0.015 | -0.005 | 30.929 | -0.365 | -0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 219 | TRP | 0 | 0.023 | 0.020 | 30.290 | -0.379 | -0.379 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 220 | GLU | -1 | -0.868 | -0.958 | 27.116 | -10.254 | -10.254 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 221 | GLY | 0 | 0.031 | 0.039 | 26.225 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 222 | SER | 0 | 0.000 | -0.022 | 20.604 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 223 | SER | 0 | 0.064 | 0.031 | 22.622 | -0.412 | -0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 224 | ASP | -1 | -0.722 | -0.844 | 23.879 | -10.394 | -10.394 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 225 | LYS | 1 | 0.877 | 0.943 | 22.866 | 11.912 | 11.912 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 226 | TYR | 0 | 0.012 | -0.005 | 17.406 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 227 | ALA | 0 | 0.033 | 0.031 | 23.112 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 228 | ARG | 1 | 0.866 | 0.919 | 26.583 | 10.522 | 10.522 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 229 | MET | 0 | -0.045 | -0.002 | 23.033 | 0.400 | 0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 230 | ILE | 0 | -0.010 | 0.006 | 22.177 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 231 | GLY | 0 | 0.036 | 0.015 | 25.456 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 232 | GLY | 0 | 0.018 | 0.003 | 28.214 | 0.372 | 0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 233 | TRP | 0 | -0.066 | -0.045 | 20.214 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 234 | LEU | 0 | 0.029 | 0.008 | 27.802 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 235 | ASP | -1 | -0.889 | -0.915 | 30.093 | -8.429 | -8.429 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 236 | LYS | 1 | 0.941 | 0.973 | 28.616 | 10.242 | 10.242 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 237 | LEU | 0 | -0.025 | -0.009 | 27.632 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 238 | GLY | 0 | -0.015 | -0.009 | 32.143 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 239 | LEU | 0 | -0.058 | -0.031 | 30.339 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 240 | VAL | 0 | 0.018 | 0.000 | 32.405 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 241 | LYS | 1 | 0.941 | 0.968 | 34.810 | 8.018 | 8.018 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 242 | GLN | 0 | -0.010 | -0.004 | 33.008 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 243 | GLY | 0 | -0.070 | -0.043 | 36.200 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 244 | LYS | 1 | 0.940 | 0.987 | 38.795 | 6.818 | 6.818 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 245 | LYS | 1 | 0.880 | 0.968 | 39.674 | 7.958 | 7.958 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 246 | GLU | -1 | -0.912 | -0.977 | 41.635 | -6.618 | -6.618 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 247 | PHE | 0 | 0.000 | -0.011 | 39.670 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 248 | ILE | 0 | 0.019 | 0.001 | 45.407 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 249 | ILE | 0 | -0.001 | 0.011 | 44.819 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 250 | PRO | 0 | -0.039 | -0.012 | 48.268 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 251 | THR | 0 | 0.069 | 0.036 | 49.130 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 252 | LEU | 0 | -0.014 | -0.011 | 51.278 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 253 | GLY | 0 | 0.000 | -0.008 | 53.630 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 254 | LYS | 1 | 0.833 | 0.915 | 53.658 | 5.841 | 5.841 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 255 | PRO | 0 | 0.062 | 0.023 | 53.755 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 256 | ASP | -1 | -0.826 | -0.928 | 53.706 | -5.647 | -5.647 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 257 | ASN | 0 | -0.093 | -0.017 | 48.543 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 258 | LYS | 1 | 0.956 | 0.965 | 48.060 | 6.386 | 6.386 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 259 | GLU | -1 | -0.784 | -0.862 | 43.136 | -6.887 | -6.887 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 260 | PHE | 0 | -0.040 | -0.046 | 40.969 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 261 | ILE | 0 | 0.032 | 0.041 | 35.826 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 262 | SER | 0 | 0.012 | -0.033 | 36.374 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 263 | HIS | 0 | -0.011 | 0.000 | 32.033 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 264 | ALA | 0 | 0.031 | 0.023 | 33.931 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 265 | PHE | 0 | -0.017 | -0.015 | 31.164 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 266 | LYS | 1 | 0.984 | 1.010 | 35.865 | 7.374 | 7.374 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 267 | ILE | 0 | 0.033 | 0.037 | 34.946 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 268 | THR | 0 | 0.009 | 0.004 | 37.153 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 269 | GLY | 0 | 0.061 | 0.019 | 38.876 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 270 | GLU | -1 | -0.903 | -0.962 | 36.173 | -8.603 | -8.603 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 271 | GLY | 0 | 0.057 | 0.023 | 34.814 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 272 | LEU | 0 | 0.003 | -0.005 | 34.859 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 273 | LYS | 1 | 0.810 | 0.925 | 36.622 | 7.829 | 7.829 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 274 | VAL | 0 | 0.029 | 0.012 | 31.005 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 275 | LEU | 0 | 0.048 | 0.024 | 31.071 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 276 | ARG | 1 | 0.960 | 0.983 | 32.968 | 7.973 | 7.973 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 277 | ARG | 1 | 0.908 | 0.960 | 30.969 | 10.145 | 10.145 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 278 | ALA | 0 | 0.017 | 0.029 | 28.427 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 279 | LYS | 1 | 0.875 | 0.935 | 29.437 | 8.933 | 8.933 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 280 | GLY | 0 | -0.061 | -0.026 | 31.685 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 281 | SER | 0 | 0.008 | 0.032 | 32.989 | 0.338 | 0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 282 | THR | 0 | -0.075 | -0.063 | 36.062 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 283 | LYS | 1 | 0.967 | 0.997 | 36.319 | 7.363 | 7.363 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 284 | PHE | 0 | 0.053 | 0.005 | 35.953 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 285 | THR | 0 | 0.003 | -0.008 | 31.240 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 286 | ARG | 1 | 0.857 | 0.922 | 27.644 | 10.817 | 10.817 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 287 | VAL | 0 | 0.022 | 0.014 | 25.209 | 0.332 | 0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 288 | PRO | 0 | -0.038 | 0.004 | 22.614 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 289 | LYS | 1 | 0.876 | 0.941 | 21.130 | 12.202 | 12.202 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 290 | ARG | 1 | 0.876 | 0.940 | 16.597 | 15.587 | 15.587 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 291 | VAL | 0 | 0.038 | 0.010 | 14.740 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 292 | TYR | 0 | 0.034 | 0.008 | 10.650 | -0.652 | -0.652 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 293 | TRP | 0 | 0.062 | 0.019 | 5.389 | 2.339 | 2.339 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 294 | GLU | -1 | -0.930 | -0.973 | 5.622 | -42.748 | -42.748 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 295 | MET | 0 | -0.033 | -0.006 | 9.339 | 1.554 | 1.554 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 296 | LEU | 0 | -0.064 | -0.030 | 12.486 | 1.874 | 1.874 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 297 | ALA | 0 | 0.081 | 0.040 | 12.899 | 0.956 | 0.956 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 298 | THR | 0 | -0.017 | -0.007 | 12.524 | -1.865 | -1.865 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 299 | ASN | 0 | -0.040 | -0.040 | 12.313 | -2.077 | -2.077 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 300 | LEU | 0 | 0.036 | 0.055 | 13.864 | 0.477 | 0.477 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 301 | THR | 0 | 0.052 | -0.002 | 12.592 | -1.134 | -1.134 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 302 | ASP | -1 | -0.833 | -0.924 | 11.970 | -21.122 | -21.122 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 303 | LYS | 1 | 0.868 | 0.948 | 7.150 | 27.000 | 27.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 304 | GLU | -1 | -0.876 | -0.962 | 6.261 | -38.953 | -38.953 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 305 | TYR | 0 | 0.044 | -0.003 | 9.120 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 306 | VAL | 0 | 0.042 | 0.022 | 12.495 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 307 | ARG | 1 | 0.788 | 0.889 | 7.573 | 31.879 | 31.879 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 308 | THR | 0 | -0.014 | -0.009 | 9.742 | 1.135 | 1.135 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 309 | ARG | 1 | 0.876 | 0.934 | 11.853 | 17.461 | 17.461 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 310 | ARG | 1 | 0.763 | 0.873 | 15.346 | 18.275 | 18.275 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 311 | ALA | 0 | 0.003 | -0.003 | 12.315 | 0.624 | 0.624 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 312 | LEU | 0 | -0.026 | -0.010 | 13.640 | 1.099 | 1.099 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 313 | ILE | 0 | 0.005 | 0.009 | 16.066 | 1.094 | 1.094 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 314 | LEU | 0 | 0.011 | -0.004 | 17.374 | 0.852 | 0.852 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 315 | GLU | -1 | -0.839 | -0.906 | 14.883 | -19.787 | -19.787 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 316 | ILE | 0 | -0.086 | -0.051 | 18.487 | 0.960 | 0.960 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 317 | LEU | 0 | -0.018 | -0.027 | 21.583 | 0.744 | 0.744 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 318 | ILE | 0 | -0.025 | 0.006 | 18.760 | 0.467 | 0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 319 | LYS | 1 | 0.904 | 0.958 | 21.126 | 14.750 | 14.750 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 320 | ALA | 0 | -0.052 | -0.012 | 23.680 | 0.531 | 0.531 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 321 | GLY | 0 | 0.083 | 0.026 | 26.712 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 322 | SER | 0 | -0.071 | -0.039 | 29.359 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 323 | LEU | 0 | -0.015 | 0.017 | 26.407 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 324 | LYS | 1 | 0.925 | 0.970 | 30.412 | 9.017 | 9.017 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 325 | ILE | 0 | 0.013 | 0.014 | 27.996 | -0.345 | -0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 326 | GLU | -1 | -0.823 | -0.919 | 28.389 | -10.086 | -10.086 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 327 | GLN | 0 | 0.042 | 0.027 | 28.939 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 328 | ILE | 0 | -0.026 | -0.017 | 23.888 | -0.425 | -0.425 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 329 | GLN | 0 | 0.024 | 0.008 | 24.287 | -0.538 | -0.538 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 330 | ASP | -1 | -0.875 | -0.944 | 24.702 | -11.357 | -11.357 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 331 | ASN | 0 | -0.141 | -0.113 | 22.470 | -0.669 | -0.669 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 332 | LEU | 0 | 0.009 | 0.025 | 18.499 | -0.551 | -0.551 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 333 | LYS | 1 | 1.018 | 1.013 | 20.526 | 10.991 | 10.991 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 334 | LYS | 1 | 0.869 | 0.966 | 22.358 | 12.644 | 12.644 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 335 | LEU | 0 | -0.070 | -0.049 | 16.996 | -0.384 | -0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 336 | GLY | 0 | -0.049 | -0.030 | 16.671 | -1.389 | -1.389 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 337 | PHE | 0 | -0.028 | -0.005 | 13.396 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 338 | ASP | -1 | -0.900 | -0.944 | 19.437 | -11.813 | -11.813 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 339 | GLU | -1 | -0.790 | -0.875 | 19.357 | -15.876 | -15.876 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 340 | VAL | 0 | 0.023 | 0.010 | 23.703 | 0.513 | 0.513 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 341 | ILE | 0 | 0.030 | 0.020 | 26.180 | -0.421 | -0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 342 | GLU | -1 | -0.791 | -0.900 | 27.629 | -10.457 | -10.457 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 343 | THR | 0 | -0.134 | -0.062 | 22.589 | -0.449 | -0.449 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 344 | ILE | 0 | 0.031 | 0.005 | 23.035 | -0.358 | -0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 345 | GLU | -1 | -0.856 | -0.942 | 24.174 | -10.654 | -10.654 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 346 | ASN | 0 | 0.014 | 0.008 | 22.571 | 0.386 | 0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 347 | ASP | -1 | -0.802 | -0.885 | 19.849 | -16.138 | -16.138 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 348 | ILE | 0 | -0.041 | -0.015 | 21.856 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 349 | LYS | 1 | 0.964 | 0.989 | 23.891 | 11.100 | 11.100 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 350 | GLY | 0 | 0.041 | 0.022 | 21.669 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 351 | LEU | 0 | -0.019 | -0.026 | 17.982 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 352 | ILE | 0 | -0.030 | -0.009 | 21.432 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 353 | ASN | 0 | 0.053 | 0.032 | 24.066 | 0.678 | 0.678 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 354 | THR | 0 | -0.101 | -0.055 | 19.064 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 355 | GLY | 0 | -0.023 | -0.007 | 21.976 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 356 | ILE | 0 | 0.019 | 0.030 | 18.883 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 357 | PHE | 0 | -0.023 | -0.023 | 23.439 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 358 | ILE | 0 | 0.024 | 0.010 | 23.116 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 359 | GLU | -1 | -0.951 | -0.972 | 27.439 | -9.400 | -9.400 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 360 | ILE | 0 | 0.009 | 0.002 | 29.705 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 361 | LYS | 1 | 0.952 | 0.984 | 32.998 | 9.553 | 9.553 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 362 | GLY | 0 | 0.034 | 0.015 | 35.856 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 363 | ARG | 1 | 0.960 | 0.982 | 34.025 | 8.782 | 8.782 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 364 | PHE | 0 | 0.029 | -0.005 | 32.353 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 365 | TYR | 0 | 0.028 | 0.013 | 28.237 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 366 | GLN | 0 | -0.013 | -0.032 | 28.819 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 367 | LEU | 0 | 0.027 | 0.031 | 22.905 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 368 | LYS | 1 | 0.850 | 0.933 | 26.978 | 9.874 | 9.874 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 369 | ASP | -1 | -0.741 | -0.891 | 24.607 | -12.220 | -12.220 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 370 | HIS | 0 | -0.011 | 0.012 | 23.554 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 371 | ILE | 0 | 0.008 | 0.017 | 18.597 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 372 | LEU | 0 | -0.027 | -0.016 | 18.253 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 373 | GLN | 0 | 0.020 | -0.001 | 16.203 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 374 | PHE | 0 | 0.002 | 0.012 | 11.811 | -0.709 | -0.709 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 375 | VAL | 0 | -0.001 | -0.006 | 7.553 | 0.394 | 0.394 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 376 | ILE | 0 | -0.010 | -0.005 | 8.619 | -1.590 | -1.590 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 377 | PRO | 0 | -0.060 | -0.040 | 3.083 | -1.655 | -1.296 | 0.022 | -0.092 | -0.290 | 0.000 |
375 | A | 378 | ASN | 0 | 0.025 | 0.007 | 3.412 | -10.079 | -9.079 | 0.008 | -0.521 | -0.487 | -0.004 |
376 | A | 379 | ARG | 1 | 0.948 | 0.961 | 5.908 | 28.617 | 28.617 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 380 | GLY | 0 | -0.036 | -0.015 | 9.376 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 381 | VAL | 0 | 0.036 | 0.019 | 9.544 | 1.645 | 1.645 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 382 | THR | 0 | -0.028 | -0.009 | 10.923 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 383 | LYS | 1 | 0.964 | 0.964 | 12.325 | 18.131 | 18.131 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 384 | GLN | 0 | -0.020 | 0.006 | 12.633 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 385 | LEU | 0 | -0.082 | -0.020 | 9.436 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 386 | VAL | 0 | 0.042 | 0.027 | 13.154 | 1.116 | 1.116 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 387 | LYS | 1 | 0.873 | 0.949 | 15.211 | 13.247 | 13.247 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 388 | SER | 0 | -0.003 | -0.003 | 16.706 | 1.002 | 1.002 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 389 | GLU | -1 | -0.813 | -0.910 | 18.549 | -11.642 | -11.642 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 390 | LEU | 0 | -0.043 | -0.014 | 19.913 | 0.521 | 0.521 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 391 | GLU | -1 | -0.841 | -0.923 | 17.533 | -15.368 | -15.368 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 392 | GLU | -1 | -0.957 | -0.973 | 20.915 | -12.655 | -12.655 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 393 | LYS | 1 | 0.869 | 0.923 | 23.633 | 10.732 | 10.732 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 394 | LYS | 1 | 0.821 | 0.894 | 19.771 | 15.042 | 15.042 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 395 | SER | 0 | -0.037 | -0.011 | 23.781 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 396 | GLU | -1 | -0.840 | -0.922 | 26.207 | -9.665 | -9.665 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 397 | LEU | 0 | 0.012 | -0.004 | 28.090 | 0.361 | 0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 398 | ARG | 1 | 0.940 | 0.952 | 22.425 | 12.969 | 12.969 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 399 | HIS | 0 | -0.045 | -0.005 | 29.631 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 400 | LYS | 1 | 0.870 | 0.926 | 31.836 | 9.414 | 9.414 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 401 | LEU | 0 | -0.028 | -0.016 | 32.463 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 402 | LYS | 1 | 0.918 | 0.965 | 34.472 | 8.630 | 8.630 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 403 | TYR | 0 | -0.024 | -0.023 | 37.137 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 404 | VAL | 0 | -0.056 | -0.016 | 34.189 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 405 | PRO | 0 | -0.005 | -0.001 | 33.901 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 406 | HIS | 0 | 0.042 | -0.008 | 28.738 | -0.471 | -0.471 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 407 | GLU | -1 | -0.927 | -0.947 | 28.462 | -9.962 | -9.962 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 408 | TYR | 0 | 0.077 | 0.027 | 28.453 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 409 | ILE | 0 | -0.033 | -0.003 | 26.004 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 410 | GLU | -1 | -0.891 | -0.966 | 25.139 | -11.177 | -11.177 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 411 | LEU | 0 | -0.019 | -0.014 | 25.677 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 412 | ILE | 0 | -0.009 | 0.010 | 24.785 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 413 | GLU | -1 | -0.888 | -0.961 | 19.632 | -14.876 | -14.876 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 414 | ILE | 0 | 0.021 | 0.012 | 23.582 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 415 | ALA | 0 | 0.018 | -0.005 | 25.287 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 416 | ARG | 1 | 0.897 | 0.951 | 20.322 | 12.929 | 12.929 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 417 | ASN | 0 | 0.000 | 0.045 | 20.608 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 418 | SER | 0 | 0.022 | 0.015 | 23.311 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 419 | THR | 0 | -0.057 | -0.075 | 21.728 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 420 | GLN | 0 | -0.048 | -0.044 | 23.702 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 421 | ASP | -1 | -0.746 | -0.874 | 26.477 | -9.319 | -9.319 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 422 | ARG | 1 | 0.964 | 0.973 | 29.875 | 9.077 | 9.077 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 423 | ILE | 0 | -0.009 | -0.010 | 27.304 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 424 | LEU | 0 | 0.018 | 0.044 | 29.185 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 425 | GLU | -1 | -0.813 | -0.902 | 31.044 | -8.156 | -8.156 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 426 | MET | 0 | -0.103 | -0.060 | 33.259 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 427 | LYS | 1 | 0.854 | 0.930 | 29.022 | 10.372 | 10.372 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 428 | VAL | 0 | 0.055 | 0.026 | 32.989 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 429 | MET | 0 | 0.004 | 0.045 | 35.275 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 430 | GLU | -1 | -0.910 | -0.960 | 34.923 | -8.562 | -8.562 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 431 | PHE | 0 | -0.018 | -0.006 | 35.398 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 432 | PHE | 0 | 0.024 | -0.003 | 37.412 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 433 | MET | 0 | -0.055 | -0.024 | 40.645 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 434 | LYS | 1 | 0.848 | 0.923 | 37.223 | 8.402 | 8.402 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 435 | VAL | 0 | -0.059 | 0.002 | 37.804 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 436 | TYR | 0 | -0.036 | -0.026 | 39.068 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 437 | GLY | 0 | 0.025 | 0.021 | 43.157 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 438 | TYR | 0 | -0.058 | -0.016 | 43.695 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 439 | ARG | 1 | 0.961 | 0.979 | 45.865 | 5.936 | 5.936 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 440 | GLY | 0 | 0.030 | -0.008 | 45.992 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 441 | LYS | 1 | 0.870 | 0.922 | 43.897 | 6.710 | 6.710 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 442 | HIS | 0 | -0.019 | 0.020 | 37.005 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 443 | LEU | 0 | -0.133 | -0.084 | 41.009 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 444 | GLY | 0 | 0.153 | 0.107 | 38.630 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 445 | GLY | 0 | -0.045 | -0.045 | 39.002 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 446 | SER | 0 | 0.052 | 0.028 | 40.241 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 447 | ARG | 1 | 0.785 | 0.862 | 42.147 | 6.571 | 6.571 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 448 | LYS | 1 | 0.913 | 0.978 | 43.395 | 7.138 | 7.138 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 449 | PRO | 0 | 0.024 | 0.048 | 42.581 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 450 | ASP | -1 | -0.686 | -0.855 | 37.481 | -7.957 | -7.957 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 451 | GLY | 0 | -0.032 | -0.048 | 39.926 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 452 | ALA | 0 | -0.039 | 0.011 | 42.138 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 453 | ILE | 0 | 0.013 | 0.007 | 42.313 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 454 | TYR | 0 | -0.007 | -0.025 | 46.295 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 455 | THR | 0 | -0.030 | 0.010 | 49.651 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 456 | VAL | 0 | -0.051 | -0.030 | 51.409 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 457 | GLY | 0 | -0.030 | -0.021 | 54.265 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 458 | SER | 0 | -0.029 | 0.000 | 52.796 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 459 | PRO | 0 | 0.002 | -0.002 | 55.577 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 460 | ILE | 0 | -0.021 | -0.018 | 54.733 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 461 | ASP | -1 | -0.777 | -0.883 | 54.580 | -5.731 | -5.731 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 462 | TYR | 0 | -0.036 | -0.021 | 48.484 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 463 | GLY | 0 | 0.031 | -0.001 | 50.187 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 464 | VAL | 0 | -0.038 | -0.025 | 44.748 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 465 | ILE | 0 | -0.007 | 0.021 | 44.721 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 466 | VAL | 0 | -0.026 | -0.036 | 39.255 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 467 | ASP | -1 | -0.784 | -0.889 | 38.698 | -7.435 | -7.435 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 468 | THR | 0 | -0.134 | -0.064 | 33.939 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 469 | LYS | 1 | 0.889 | 0.937 | 30.036 | 9.336 | 9.336 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 470 | ALA | 0 | 0.002 | 0.035 | 27.283 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 471 | TYR | 0 | -0.031 | -0.031 | 27.706 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 472 | SER | 0 | -0.003 | 0.006 | 23.051 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 473 | GLY | 0 | -0.020 | -0.009 | 24.665 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 474 | GLY | 0 | -0.005 | -0.008 | 25.583 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 475 | TYR | 0 | 0.045 | 0.003 | 29.370 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 476 | ASN | 0 | -0.045 | -0.023 | 32.486 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 477 | LEU | 0 | -0.007 | -0.007 | 35.933 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 478 | PRO | 0 | 0.058 | 0.042 | 35.628 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 479 | ILE | 0 | -0.027 | -0.029 | 38.569 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 480 | GLY | 0 | 0.038 | 0.030 | 40.948 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 481 | GLN | 0 | 0.004 | -0.006 | 36.829 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 482 | ALA | 0 | -0.056 | -0.027 | 40.194 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 483 | ASP | -1 | -0.847 | -0.936 | 42.595 | -6.312 | -6.312 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 484 | GLU | -1 | -0.940 | -0.961 | 40.379 | -7.294 | -7.294 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 485 | MET | 0 | -0.004 | 0.002 | 42.904 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 486 | GLN | 0 | -0.013 | 0.009 | 45.178 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 487 | ARG | 1 | 0.928 | 0.988 | 47.507 | 6.294 | 6.294 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 488 | TYR | 0 | 0.004 | -0.003 | 43.448 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 489 | VAL | 0 | -0.009 | -0.022 | 48.059 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 490 | GLU | -1 | -0.877 | -0.954 | 50.346 | -5.622 | -5.622 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 491 | GLU | -1 | -0.748 | -0.868 | 50.146 | -5.997 | -5.997 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 492 | ASN | 0 | 0.000 | 0.015 | 51.645 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 493 | GLN | 0 | -0.019 | 0.019 | 53.642 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 494 | THR | 0 | 0.022 | 0.022 | 56.097 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 495 | ARG | 1 | 0.842 | 0.915 | 55.040 | 5.517 | 5.517 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 496 | ASN | 0 | -0.017 | -0.028 | 57.699 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 497 | LYS | 1 | 1.042 | 1.020 | 56.678 | 5.065 | 5.065 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 498 | HIS | 0 | -0.087 | -0.046 | 57.044 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 499 | ILE | 0 | -0.028 | -0.003 | 53.738 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 500 | ASN | 0 | -0.073 | -0.084 | 48.446 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 501 | PRO | 0 | 0.059 | 0.038 | 52.404 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 502 | ASN | 0 | -0.086 | -0.041 | 47.814 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 503 | GLU | -1 | -0.952 | -0.989 | 51.373 | -5.463 | -5.463 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 504 | TRP | 0 | -0.007 | -0.006 | 48.030 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 505 | TRP | 0 | 0.066 | 0.040 | 50.034 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 506 | LYS | 1 | 0.913 | 0.956 | 52.189 | 5.528 | 5.528 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 507 | VAL | 0 | -0.048 | -0.012 | 47.820 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 508 | TYR | 0 | -0.104 | -0.066 | 48.040 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 509 | PRO | 0 | -0.023 | 0.004 | 52.879 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 510 | SER | 0 | 0.027 | -0.009 | 56.051 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 511 | SER | 0 | -0.006 | -0.015 | 59.007 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 512 | VAL | 0 | -0.028 | 0.019 | 53.698 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 513 | THR | 0 | 0.021 | 0.003 | 57.046 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 514 | GLU | -1 | -0.877 | -0.933 | 54.098 | -5.743 | -5.743 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 515 | PHE | 0 | -0.003 | -0.006 | 50.876 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 516 | LYS | 1 | 0.838 | 0.939 | 48.103 | 5.924 | 5.924 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 517 | PHE | 0 | -0.024 | -0.009 | 44.749 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 518 | LEU | 0 | 0.002 | -0.007 | 40.208 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 519 | PHE | 0 | 0.048 | 0.027 | 38.242 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 520 | VAL | 0 | 0.008 | 0.005 | 34.123 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 521 | SER | 0 | -0.015 | -0.028 | 31.508 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 522 | GLY | 0 | -0.010 | -0.002 | 28.981 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 523 | HIS | 0 | 0.043 | 0.016 | 29.872 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 524 | PHE | 0 | 0.008 | -0.009 | 31.555 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 525 | LYS | 1 | 0.960 | 0.956 | 30.026 | 9.331 | 9.331 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 526 | GLY | 0 | 0.083 | 0.023 | 35.801 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 527 | ASN | 0 | -0.087 | -0.005 | 38.636 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 528 | TYR | 0 | 0.018 | 0.005 | 38.073 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 529 | LYS | 1 | 0.989 | 1.028 | 40.573 | 6.511 | 6.511 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 530 | ALA | 0 | 0.013 | 0.030 | 43.849 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 531 | GLN | 0 | 0.050 | 0.002 | 42.251 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 532 | LEU | 0 | 0.020 | 0.056 | 43.225 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 533 | THR | 0 | -0.046 | -0.085 | 45.907 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 534 | ARG | 1 | 0.921 | 0.989 | 45.178 | 6.584 | 6.584 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 535 | LEU | 0 | 0.062 | 0.030 | 46.586 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 536 | ASN | 0 | -0.022 | 0.014 | 48.107 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 537 | HIS | 0 | -0.051 | -0.013 | 51.593 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 538 | ILE | 0 | -0.016 | -0.006 | 51.198 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 539 | THR | 0 | -0.004 | -0.003 | 52.033 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 540 | ASN | 0 | 0.001 | 0.006 | 54.662 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 541 | CYS | 0 | -0.034 | -0.006 | 51.619 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 542 | ASN | 0 | -0.004 | -0.029 | 50.830 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 543 | GLY | 0 | 0.056 | 0.020 | 46.900 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 544 | ALA | 0 | -0.098 | -0.044 | 43.796 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 545 | VAL | 0 | -0.013 | 0.001 | 38.254 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 546 | LEU | 0 | 0.046 | 0.017 | 37.157 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 547 | SER | 0 | 0.062 | 0.035 | 32.941 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 548 | VAL | 0 | 0.024 | -0.008 | 29.269 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 549 | GLU | -1 | -0.842 | -0.907 | 30.748 | -9.786 | -9.786 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 550 | GLU | -1 | -0.802 | -0.922 | 32.458 | -8.142 | -8.142 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 551 | LEU | 0 | -0.039 | -0.002 | 34.806 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 552 | LEU | 0 | 0.068 | 0.014 | 30.549 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 553 | ILE | 0 | -0.030 | -0.003 | 34.619 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 554 | GLY | 0 | 0.005 | 0.009 | 37.152 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 555 | GLY | 0 | 0.003 | -0.025 | 38.569 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 556 | GLU | -1 | -0.787 | -0.894 | 37.219 | -8.173 | -8.173 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 557 | MET | 0 | -0.056 | -0.008 | 39.759 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 558 | ILE | 0 | -0.015 | 0.003 | 42.972 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 559 | LYS | 1 | 0.859 | 0.937 | 40.824 | 7.567 | 7.567 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 560 | ALA | 0 | -0.027 | -0.014 | 43.057 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 561 | GLY | 0 | -0.007 | 0.007 | 44.751 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 562 | THR | 0 | -0.049 | -0.042 | 44.295 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 563 | LEU | 0 | -0.026 | 0.020 | 43.800 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 564 | THR | 0 | 0.021 | 0.018 | 47.280 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 565 | LEU | 0 | 0.051 | 0.006 | 46.037 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 566 | GLU | -1 | -0.822 | -0.920 | 49.328 | -5.635 | -5.635 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 567 | GLU | -1 | -0.843 | -0.949 | 49.298 | -6.253 | -6.253 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 568 | VAL | 0 | 0.048 | 0.029 | 44.843 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 569 | ARG | 1 | 0.917 | 0.997 | 47.667 | 5.729 | 5.729 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 570 | ARG | 1 | 0.801 | 0.872 | 50.118 | 5.869 | 5.869 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 571 | LYS | 1 | 0.874 | 0.951 | 44.525 | 6.904 | 6.904 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 572 | PHE | 0 | -0.036 | -0.009 | 44.405 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 573 | ASN | 0 | 0.047 | 0.022 | 45.774 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 574 | ASN | 0 | 0.007 | -0.022 | 47.160 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 575 | GLY | 0 | -0.024 | -0.031 | 44.339 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 576 | GLU | -1 | -0.965 | -0.981 | 36.936 | -8.104 | -8.104 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 577 | ILE | 0 | -0.046 | -0.008 | 41.029 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 578 | ASN | 0 | -0.018 | -0.022 | 38.216 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 579 | PHE | -1 | -0.875 | -0.939 | 39.850 | -7.127 | -7.127 | 0.000 | 0.000 | 0.000 | 0.000 |