FMODB ID: LNM79
Calculation Name: 1ZZG-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1ZZG
Chain ID: A
UniProt ID: Q5SLL6
Base Structure: X-ray
Registration Date: 2023-09-20
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 415 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7228788.683137 |
---|---|
FMO2-HF: Nuclear repulsion | 7069944.162656 |
FMO2-HF: Total energy | -158844.520481 |
FMO2-MP2: Total energy | -159317.669897 |
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. |
-10.994 | -6.033 | 12.977 | -7.313 | -10.625 | -0.037 |
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 | ARG | 1 | 0.909 | 0.942 | 2.378 | -4.143 | -1.288 | 2.212 | -2.216 | -2.851 | -0.020 |
4 | A | 4 | LEU | 0 | -0.017 | 0.000 | 4.564 | 0.749 | 0.864 | -0.001 | -0.019 | -0.095 | 0.000 |
5 | A | 5 | ASP | -1 | -0.826 | -0.874 | 7.918 | -0.679 | -0.679 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | THR | 0 | 0.063 | 0.006 | 10.860 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | ARG | 1 | 0.832 | 0.914 | 12.532 | 0.784 | 0.784 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | PHE | 0 | 0.029 | 0.019 | 16.032 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | LEU | 0 | -0.047 | -0.022 | 16.121 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | PRO | 0 | 0.041 | 0.010 | 17.806 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | GLY | 0 | 0.011 | 0.002 | 19.699 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | PHE | 0 | 0.004 | 0.001 | 11.972 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | PRO | 0 | 0.048 | 0.016 | 14.965 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | GLU | -1 | -0.820 | -0.899 | 16.428 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | ALA | 0 | 0.030 | 0.021 | 18.599 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | LEU | 0 | 0.015 | 0.013 | 12.318 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | SER | 0 | -0.007 | -0.006 | 16.604 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | ARG | 1 | 0.851 | 0.922 | 18.568 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | HIS | 0 | -0.107 | -0.074 | 19.096 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | GLY | 0 | 0.059 | 0.037 | 17.620 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | PRO | 0 | 0.017 | -0.011 | 18.657 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | LEU | 0 | -0.010 | 0.007 | 21.200 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | LEU | 0 | 0.006 | -0.004 | 14.925 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | GLU | -1 | -0.850 | -0.924 | 15.928 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | GLU | -1 | -0.764 | -0.848 | 18.405 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | ALA | 0 | -0.023 | -0.005 | 19.038 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | ARG | 1 | 0.841 | 0.890 | 11.709 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | ARG | 1 | 0.821 | 0.889 | 18.116 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | ARG | 1 | 0.841 | 0.907 | 20.772 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | LEU | 0 | 0.015 | 0.020 | 17.612 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | LEU | 0 | -0.009 | -0.021 | 16.364 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | ALA | 0 | -0.055 | -0.022 | 20.629 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | LYS | 1 | 0.836 | 0.903 | 23.859 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | ARG | 1 | 0.934 | 0.980 | 17.824 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | GLY | 0 | -0.025 | 0.002 | 24.165 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | GLU | -1 | -0.938 | -0.977 | 26.861 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | PRO | 0 | -0.063 | -0.038 | 28.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | GLY | 0 | -0.016 | -0.019 | 30.049 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | SER | 0 | -0.019 | 0.010 | 25.973 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | MET | 0 | -0.092 | -0.049 | 25.733 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | LEU | 0 | 0.042 | 0.007 | 21.171 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | GLY | 0 | 0.038 | 0.014 | 20.897 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | TRP | 0 | -0.026 | -0.015 | 15.362 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | MET | 0 | -0.032 | -0.008 | 16.386 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | ASP | -1 | -0.846 | -0.940 | 16.504 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | LEU | 0 | -0.042 | -0.008 | 17.916 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | PRO | 0 | -0.029 | -0.017 | 13.465 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | GLU | -1 | -0.920 | -0.972 | 15.630 | 0.458 | 0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | ASP | -1 | -0.817 | -0.829 | 17.852 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | THR | 0 | -0.059 | -0.050 | 18.501 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | GLU | -1 | -0.972 | -0.983 | 20.918 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | THR | 0 | 0.030 | -0.048 | 23.178 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | LEU | 0 | -0.007 | 0.006 | 18.228 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | ARG | 1 | 0.925 | 0.965 | 21.769 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | GLU | -1 | -0.895 | -0.936 | 24.360 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | VAL | 0 | -0.041 | -0.022 | 23.802 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | ARG | 1 | 0.876 | 0.931 | 18.434 | -0.308 | -0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | ARG | 1 | 0.804 | 0.875 | 24.874 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | TYR | 0 | 0.033 | 0.017 | 28.796 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | ARG | 1 | 0.937 | 0.985 | 26.221 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | GLU | -1 | -0.812 | -0.890 | 26.252 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | ALA | 0 | -0.018 | 0.012 | 29.894 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | ASN | 0 | -0.069 | -0.052 | 32.160 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | PRO | 0 | 0.008 | -0.005 | 31.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | TRP | 0 | -0.042 | -0.023 | 32.990 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | VAL | 0 | -0.058 | -0.017 | 31.545 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | GLU | -1 | -0.813 | -0.913 | 32.170 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | ASP | -1 | -0.785 | -0.840 | 32.225 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | PHE | 0 | 0.035 | 0.016 | 28.483 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | VAL | 0 | -0.029 | -0.024 | 30.866 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | LEU | 0 | 0.009 | 0.008 | 26.746 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | ILE | 0 | -0.042 | -0.004 | 30.939 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | GLY | 0 | 0.042 | 0.003 | 30.700 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | ILE | 0 | 0.037 | 0.015 | 30.450 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | GLY | 0 | 0.042 | 0.027 | 28.073 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | GLY | 0 | 0.040 | 0.020 | 24.930 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | SER | 0 | -0.063 | -0.035 | 24.878 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | ALA | 0 | -0.010 | -0.006 | 26.573 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | LEU | 0 | 0.017 | 0.006 | 23.038 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | GLY | 0 | 0.023 | 0.025 | 20.135 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | PRO | 0 | -0.009 | -0.023 | 20.179 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | LYS | 1 | 0.921 | 0.982 | 21.776 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | ALA | 0 | -0.023 | -0.011 | 18.025 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | LEU | 0 | -0.019 | -0.011 | 15.261 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | GLU | -1 | -0.799 | -0.878 | 18.092 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | ALA | 0 | -0.008 | 0.001 | 20.387 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | ALA | 0 | -0.012 | -0.001 | 15.288 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | PHE | 0 | -0.055 | -0.044 | 12.084 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | ASN | 0 | -0.063 | -0.030 | 17.611 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | GLU | -1 | -0.890 | -0.944 | 17.957 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | SER | 0 | -0.122 | -0.081 | 21.840 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | GLY | 0 | 0.043 | 0.029 | 25.296 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | VAL | 0 | -0.089 | -0.037 | 27.072 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | ARG | 1 | 0.812 | 0.877 | 27.614 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | PHE | 0 | 0.018 | 0.016 | 25.548 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | HIS | 1 | 0.780 | 0.872 | 29.043 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | TYR | 0 | -0.006 | -0.042 | 24.949 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | LEU | 0 | -0.024 | -0.007 | 31.000 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | ASP | -1 | -0.888 | -0.950 | 30.283 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | HIS | 0 | -0.002 | -0.002 | 32.710 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | VAL | 0 | -0.019 | -0.024 | 36.104 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | GLU | -1 | -0.919 | -0.941 | 39.339 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | PRO | 0 | 0.018 | -0.010 | 40.971 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | GLU | -1 | -0.859 | -0.934 | 43.021 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | PRO | 0 | 0.003 | -0.002 | 37.835 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | ILE | 0 | 0.021 | 0.010 | 38.739 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | LEU | 0 | -0.002 | -0.007 | 40.411 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | ARG | 1 | 0.945 | 0.972 | 39.093 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | LEU | 0 | 0.009 | 0.017 | 35.747 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | LEU | 0 | -0.028 | -0.014 | 39.721 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | ARG | 1 | 0.900 | 0.948 | 42.721 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | THR | 0 | -0.061 | -0.032 | 40.044 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | LEU | 0 | -0.019 | 0.007 | 36.137 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | ASP | -1 | -0.801 | -0.900 | 39.616 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | PRO | 0 | 0.007 | -0.002 | 39.986 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | ARG | 1 | 0.958 | 0.967 | 40.461 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | LYS | 1 | 0.886 | 0.959 | 37.011 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | THR | 0 | 0.009 | -0.005 | 35.889 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | LEU | 0 | -0.038 | 0.006 | 31.357 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | VAL | 0 | -0.028 | -0.020 | 33.814 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | ASN | 0 | 0.066 | 0.026 | 28.608 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | ALA | 0 | -0.012 | 0.007 | 32.299 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | VAL | 0 | 0.010 | 0.000 | 27.793 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | SER | 0 | 0.005 | -0.001 | 31.238 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | LYS | 1 | 0.847 | 0.943 | 27.819 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | SER | 0 | 0.019 | 0.005 | 31.053 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | GLY | 0 | 0.070 | 0.030 | 34.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | SER | 0 | -0.013 | -0.032 | 36.062 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | THR | 0 | -0.046 | -0.014 | 34.118 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | ALA | 0 | 0.042 | 0.010 | 36.764 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | GLU | -1 | -0.832 | -0.925 | 36.093 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | THR | 0 | 0.009 | 0.000 | 34.386 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | LEU | 0 | -0.016 | 0.003 | 36.764 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | ALA | 0 | -0.007 | 0.006 | 40.070 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | GLY | 0 | 0.045 | 0.014 | 38.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | LEU | 0 | 0.007 | -0.003 | 38.070 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | ALA | 0 | -0.019 | -0.002 | 39.961 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | VAL | 0 | -0.022 | -0.011 | 42.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | PHE | 0 | 0.052 | 0.007 | 38.405 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | LEU | 0 | -0.001 | 0.014 | 41.828 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | LYS | 1 | 0.922 | 0.969 | 43.571 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | TRP | 0 | -0.020 | -0.011 | 39.979 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | LEU | 0 | 0.018 | 0.001 | 39.630 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | LYS | 1 | 0.935 | 0.966 | 43.998 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | ALA | 0 | -0.044 | -0.018 | 47.232 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | HIS | 0 | -0.032 | -0.011 | 45.835 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | LEU | 0 | -0.026 | -0.007 | 41.939 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | GLY | 0 | 0.009 | 0.023 | 46.510 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | GLU | -1 | -0.911 | -0.985 | 47.670 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | ASP | -1 | -0.941 | -0.961 | 43.144 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | TRP | 0 | -0.033 | -0.021 | 42.358 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | ARG | 1 | 0.882 | 0.951 | 41.444 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | ARG | 1 | 0.949 | 0.992 | 37.074 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | HIS | 1 | 0.790 | 0.891 | 37.509 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | LEU | 0 | -0.009 | 0.009 | 36.564 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | VAL | 0 | -0.047 | -0.004 | 31.840 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | VAL | 0 | 0.017 | 0.003 | 33.872 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | THR | 0 | 0.000 | 0.016 | 27.492 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | THR | 0 | -0.013 | -0.043 | 30.870 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | ASP | -1 | -0.780 | -0.859 | 31.378 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | PRO | 0 | -0.061 | -0.031 | 30.757 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | LYS | 1 | 0.923 | 0.939 | 33.451 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | GLU | -1 | -0.927 | -0.949 | 35.832 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | GLY | 0 | 0.029 | 0.009 | 36.724 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | PRO | 0 | -0.060 | -0.040 | 38.676 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | LEU | 0 | 0.006 | 0.005 | 34.879 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | ARG | 1 | 0.904 | 0.967 | 32.803 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | ALA | 0 | 0.060 | 0.028 | 37.921 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | PHE | 0 | -0.050 | -0.033 | 40.484 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | ALA | 0 | 0.028 | 0.003 | 37.871 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | GLU | -1 | -0.930 | -0.958 | 39.663 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | ARG | 1 | 0.875 | 0.947 | 41.716 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | GLU | -1 | -0.912 | -0.978 | 42.912 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | GLY | 0 | -0.002 | 0.021 | 42.149 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | LEU | 0 | -0.059 | -0.028 | 38.350 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | LYS | 1 | 0.919 | 0.977 | 31.484 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | ALA | 0 | 0.014 | -0.017 | 33.689 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | PHE | 0 | -0.010 | -0.014 | 28.277 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | ALA | 0 | 0.027 | -0.002 | 28.994 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | ILE | 0 | -0.025 | 0.016 | 25.982 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | PRO | 0 | 0.041 | 0.003 | 24.138 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | LYS | 1 | 1.052 | 1.012 | 27.213 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | GLU | -1 | -0.799 | -0.899 | 25.727 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | VAL | 0 | 0.008 | 0.031 | 22.475 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | GLY | 0 | 0.059 | 0.031 | 24.591 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | GLY | 0 | 0.027 | -0.004 | 24.324 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | ARG | 1 | 0.768 | 0.866 | 23.030 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | PHE | 0 | 0.016 | 0.009 | 19.108 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | SER | 0 | -0.041 | -0.032 | 20.376 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | ALA | 0 | 0.048 | 0.022 | 17.881 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | LEU | 0 | 0.026 | 0.014 | 13.763 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | SER | 0 | 0.015 | 0.021 | 18.281 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | PRO | 0 | 0.042 | -0.010 | 21.816 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | VAL | 0 | -0.040 | -0.012 | 23.405 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | GLY | 0 | 0.024 | 0.017 | 20.720 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | LEU | 0 | 0.006 | 0.000 | 18.207 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | LEU | 0 | 0.001 | -0.004 | 21.411 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | PRO | 0 | -0.039 | -0.019 | 23.103 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | LEU | 0 | 0.075 | 0.024 | 17.249 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | ALA | 0 | -0.001 | 0.014 | 21.408 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | PHE | 0 | -0.056 | -0.039 | 23.120 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | ALA | 0 | 0.029 | 0.040 | 21.538 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | GLY | 0 | -0.041 | -0.004 | 22.262 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | ALA | 0 | 0.048 | 0.040 | 17.057 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | ASP | -1 | -0.890 | -0.964 | 14.270 | 0.503 | 0.503 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | LEU | 0 | -0.013 | -0.027 | 14.823 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | ASP | -1 | -0.811 | -0.910 | 15.368 | 0.426 | 0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | ALA | 0 | 0.030 | 0.016 | 10.731 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | LEU | 0 | -0.024 | -0.004 | 10.509 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | LEU | 0 | -0.015 | -0.014 | 11.668 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | MET | 0 | -0.027 | -0.002 | 9.192 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | GLY | 0 | 0.039 | 0.022 | 7.191 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | ALA | 0 | -0.013 | -0.004 | 7.621 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | ARG | 1 | 0.934 | 0.967 | 10.310 | -0.751 | -0.751 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | LYS | 1 | 0.873 | 0.944 | 5.180 | -1.961 | -1.961 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | ALA | 0 | 0.025 | 0.025 | 6.541 | -0.395 | -0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | ASN | 0 | 0.027 | 0.036 | 7.810 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | GLU | -1 | -0.877 | -0.931 | 7.171 | 0.784 | 0.784 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | THR | 0 | -0.066 | -0.046 | 4.162 | -0.346 | -0.206 | 0.000 | -0.023 | -0.117 | 0.000 |
220 | A | 220 | ALA | 0 | -0.010 | -0.002 | 6.799 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | LEU | 0 | -0.028 | -0.027 | 10.203 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | ALA | 0 | 0.004 | 0.036 | 7.375 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | PRO | 0 | 0.046 | 0.028 | 8.734 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | LEU | 0 | 0.058 | 0.031 | 9.487 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | GLU | -1 | -0.933 | -0.981 | 9.701 | -0.402 | -0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | GLU | -1 | -0.927 | -0.974 | 5.189 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | SER | 0 | -0.073 | -0.015 | 5.489 | -0.422 | -0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | LEU | 0 | 0.015 | -0.012 | 2.660 | -0.218 | 0.266 | 0.169 | -0.114 | -0.539 | 0.000 |
229 | A | 229 | PRO | 0 | 0.000 | -0.002 | 7.104 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | LEU | 0 | 0.045 | 0.018 | 10.191 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | LYS | 1 | 0.868 | 0.959 | 7.764 | 0.770 | 0.770 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | THR | 0 | 0.024 | -0.019 | 10.017 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | ALA | 0 | 0.018 | 0.021 | 12.643 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | LEU | 0 | -0.010 | 0.008 | 14.831 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | LEU | 0 | -0.017 | -0.001 | 13.224 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | LEU | 0 | 0.030 | 0.010 | 16.010 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | HIS | 0 | 0.026 | 0.020 | 18.731 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | LEU | 0 | -0.066 | -0.035 | 18.737 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | HIS | 0 | -0.028 | -0.017 | 19.903 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | ARG | 1 | 0.956 | 0.994 | 23.297 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | HIS | 0 | -0.027 | -0.007 | 24.744 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | LEU | 0 | -0.054 | -0.010 | 24.457 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | PRO | 0 | 0.000 | 0.003 | 26.789 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | VAL | 0 | 0.011 | 0.006 | 25.454 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | HIS | 0 | -0.039 | -0.018 | 17.815 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | VAL | 0 | 0.004 | 0.008 | 21.409 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | PHE | 0 | 0.014 | 0.012 | 14.643 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | MET | 0 | -0.009 | -0.013 | 18.197 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | VAL | 0 | 0.018 | 0.005 | 14.334 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | TYR | 0 | -0.028 | -0.009 | 15.269 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | SER | 0 | 0.012 | -0.016 | 14.466 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | GLU | -1 | -0.818 | -0.895 | 16.615 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | ARG | 1 | 0.884 | 0.935 | 13.110 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | LEU | 0 | -0.007 | -0.005 | 12.060 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | SER | 0 | 0.031 | 0.014 | 16.786 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | HIS | 0 | 0.027 | 0.007 | 19.958 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | LEU | 0 | -0.015 | -0.003 | 13.918 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | PRO | 0 | 0.017 | 0.001 | 18.234 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | SER | 0 | 0.029 | 0.008 | 20.116 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | TRP | 0 | -0.014 | 0.001 | 15.414 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | PHE | 0 | 0.026 | 0.010 | 17.243 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | VAL | 0 | 0.039 | 0.026 | 19.524 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | GLN | 0 | -0.041 | -0.020 | 23.071 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | LEU | 0 | -0.054 | -0.027 | 17.457 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | HIS | 0 | 0.010 | -0.009 | 20.623 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | ASP | -1 | -0.805 | -0.913 | 22.086 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | GLU | -1 | -0.920 | -0.959 | 25.872 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | SER | 0 | -0.068 | -0.043 | 22.865 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | LEU | 0 | -0.007 | -0.006 | 20.754 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | GLY | 0 | 0.017 | 0.045 | 25.368 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | LYS | 1 | 0.715 | 0.857 | 27.542 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | VAL | 0 | -0.023 | -0.002 | 30.621 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | ASP | -1 | -0.774 | -0.882 | 30.296 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | ARG | 1 | 0.919 | 0.941 | 27.541 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | GLN | 0 | -0.076 | -0.032 | 32.080 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | GLY | 0 | -0.048 | -0.019 | 35.213 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | GLN | 0 | -0.066 | -0.031 | 33.636 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | ARG | 1 | 0.913 | 0.959 | 33.306 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | VAL | 0 | -0.003 | 0.001 | 28.268 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | GLY | 0 | 0.024 | 0.006 | 26.377 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | THR | 0 | -0.027 | 0.010 | 23.161 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | THR | 0 | 0.001 | -0.010 | 25.936 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | ALA | 0 | -0.014 | 0.004 | 22.850 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | VAL | 0 | -0.023 | -0.012 | 23.844 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | PRO | 0 | -0.021 | -0.010 | 22.532 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | ALA | 0 | 0.039 | 0.015 | 21.692 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | LEU | 0 | -0.056 | -0.037 | 19.699 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | GLY | 0 | 0.014 | 0.018 | 19.424 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | PRO | 0 | 0.057 | 0.001 | 19.694 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | LYS | 1 | 0.906 | 0.943 | 22.408 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | ASP | -1 | -0.754 | -0.862 | 23.853 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | GLN | 0 | -0.026 | -0.020 | 22.569 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | HIS | 0 | -0.059 | -0.024 | 26.333 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | ALA | 0 | -0.035 | -0.023 | 28.723 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | GLN | 0 | -0.068 | -0.038 | 26.017 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | VAL | 0 | 0.021 | 0.024 | 24.835 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | GLN | 0 | -0.015 | 0.000 | 27.445 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | LEU | 0 | -0.013 | -0.009 | 29.933 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | PHE | 0 | -0.039 | -0.034 | 24.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | ARG | 1 | 0.838 | 0.908 | 27.009 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | GLU | -1 | -0.859 | -0.917 | 29.323 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | GLY | 0 | -0.039 | -0.004 | 31.689 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 303 | PRO | 0 | -0.043 | -0.031 | 32.008 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 304 | LEU | 0 | 0.009 | 0.023 | 27.986 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 305 | ASP | -1 | -0.875 | -0.941 | 28.824 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 306 | LYS | 1 | 0.856 | 0.914 | 24.751 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 307 | LEU | 0 | 0.002 | 0.022 | 18.194 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 308 | LEU | 0 | -0.040 | -0.030 | 20.025 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 309 | ALA | 0 | 0.012 | 0.018 | 14.904 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 310 | LEU | 0 | 0.022 | 0.004 | 15.189 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 311 | VAL | 0 | -0.029 | -0.008 | 11.035 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 312 | ILE | 0 | -0.008 | -0.012 | 11.400 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 313 | PRO | 0 | -0.016 | 0.007 | 9.143 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 314 | GLU | -1 | -0.895 | -0.963 | 6.870 | -2.416 | -2.416 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 315 | ALA | 0 | 0.004 | 0.006 | 9.314 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 316 | PRO | 0 | -0.047 | -0.006 | 10.862 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 317 | LEU | 0 | -0.040 | -0.031 | 10.927 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 318 | GLU | -1 | -0.917 | -0.968 | 13.899 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 319 | ASP | -1 | -0.819 | -0.892 | 17.486 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 320 | VAL | 0 | -0.009 | -0.018 | 18.955 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 321 | GLU | -1 | -0.950 | -0.967 | 22.592 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 322 | ILE | 0 | -0.045 | -0.028 | 24.680 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 323 | PRO | 0 | -0.011 | -0.006 | 27.247 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 324 | GLU | -1 | -0.928 | -0.981 | 30.682 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 325 | VAL | 0 | -0.045 | -0.028 | 33.646 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 326 | GLU | -1 | -0.965 | -0.977 | 36.371 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 327 | GLY | 0 | 0.006 | 0.004 | 40.028 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 328 | LEU | 0 | -0.040 | -0.021 | 35.165 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 329 | GLU | -1 | -0.802 | -0.928 | 36.780 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 330 | ALA | 0 | -0.076 | -0.029 | 37.013 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 331 | ALA | 0 | -0.006 | -0.008 | 32.608 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 332 | SER | 0 | 0.031 | 0.003 | 32.239 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 333 | TYR | 0 | -0.069 | -0.028 | 28.493 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 334 | LEU | 0 | -0.031 | -0.025 | 26.661 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 335 | PHE | 0 | 0.040 | 0.054 | 27.689 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 336 | GLY | 0 | -0.003 | 0.013 | 27.929 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 337 | LYS | 1 | 0.879 | 0.952 | 23.781 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 338 | THR | 0 | 0.047 | 0.014 | 19.123 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 339 | LEU | 0 | 0.024 | -0.001 | 21.236 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 340 | PHE | 0 | -0.012 | 0.000 | 12.079 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 341 | GLN | 0 | -0.007 | 0.005 | 17.450 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 342 | LEU | 0 | -0.009 | 0.004 | 19.037 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 343 | LEU | 0 | 0.006 | 0.005 | 16.160 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 344 | LYS | 1 | 0.840 | 0.907 | 12.213 | 0.798 | 0.798 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 345 | ALA | 0 | -0.003 | 0.001 | 16.638 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 346 | GLU | -1 | -0.848 | -0.934 | 19.845 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 347 | ALA | 0 | -0.001 | 0.002 | 16.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 348 | GLU | -1 | -0.857 | -0.941 | 13.976 | -0.766 | -0.766 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 349 | ALA | 0 | 0.023 | 0.021 | 17.878 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 350 | THR | 0 | 0.007 | -0.003 | 20.928 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 351 | TYR | 0 | -0.081 | -0.055 | 14.271 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 352 | GLU | -1 | -0.947 | -0.978 | 19.226 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 353 | ALA | 0 | 0.019 | 0.013 | 21.241 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 354 | LEU | 0 | -0.037 | -0.026 | 20.672 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 355 | ALA | 0 | -0.006 | -0.004 | 20.890 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 356 | GLU | -1 | -0.937 | -0.956 | 22.974 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 357 | ALA | 0 | 0.006 | 0.009 | 26.181 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 358 | GLY | 0 | -0.025 | -0.007 | 26.449 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 359 | GLN | 0 | -0.055 | -0.032 | 24.073 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 360 | ARG | 1 | 0.862 | 0.926 | 21.249 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 361 | VAL | 0 | 0.014 | 0.006 | 17.589 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 362 | TYR | 0 | -0.037 | -0.016 | 12.710 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 363 | ALA | 0 | 0.045 | 0.021 | 12.422 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 364 | LEU | 0 | -0.031 | -0.021 | 8.167 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 365 | PHE | 0 | 0.001 | -0.007 | 7.147 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 366 | LEU | 0 | -0.013 | -0.018 | 5.374 | -1.016 | -1.016 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 367 | PRO | 0 | 0.051 | 0.026 | 1.890 | -0.248 | -0.790 | 3.526 | -1.339 | -1.645 | -0.005 |
368 | A | 368 | GLU | -1 | -0.783 | -0.870 | 5.011 | 0.692 | 0.821 | -0.001 | -0.016 | -0.111 | 0.000 |
369 | A | 369 | VAL | 0 | -0.016 | -0.006 | 7.609 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 370 | SER | 0 | 0.017 | -0.033 | 7.253 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 371 | PRO | 0 | 0.049 | 0.018 | 9.655 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 372 | TYR | 0 | 0.051 | 0.028 | 3.061 | -0.887 | -0.065 | 0.066 | -0.353 | -0.536 | 0.003 |
373 | A | 373 | ALA | 0 | 0.036 | 0.021 | 5.375 | 0.524 | 0.524 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 374 | VAL | 0 | 0.006 | -0.002 | 6.334 | -0.545 | -0.545 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 375 | GLY | 0 | 0.037 | 0.016 | 9.813 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 376 | TRP | 0 | -0.023 | 0.003 | 2.295 | -2.177 | -1.219 | 7.006 | -3.233 | -4.731 | -0.015 |
377 | A | 377 | LEU | 0 | -0.003 | -0.007 | 7.534 | -0.475 | -0.475 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 378 | MET | 0 | -0.021 | -0.020 | 9.157 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 379 | GLN | 0 | 0.001 | -0.011 | 10.442 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 380 | HIS | 0 | -0.009 | -0.010 | 7.980 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 381 | LEU | 0 | 0.001 | -0.003 | 10.605 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 382 | MET | 0 | -0.034 | 0.007 | 13.784 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 383 | TRP | 0 | 0.031 | -0.003 | 11.949 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 384 | GLN | 0 | 0.013 | 0.038 | 13.009 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 385 | THR | 0 | -0.011 | -0.025 | 14.524 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 386 | ALA | 0 | 0.001 | 0.001 | 17.611 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 387 | PHE | 0 | -0.014 | -0.017 | 12.568 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 388 | LEU | 0 | 0.008 | 0.000 | 17.888 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 389 | GLY | 0 | 0.020 | 0.013 | 20.008 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 390 | GLU | -1 | -0.894 | -0.919 | 21.305 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 391 | LEU | 0 | -0.059 | -0.030 | 18.509 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 392 | TRP | 0 | -0.072 | -0.045 | 22.340 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 393 | GLU | -1 | -0.936 | -0.964 | 25.512 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 394 | VAL | 0 | 0.034 | 0.019 | 25.782 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 395 | ASN | 0 | -0.018 | 0.005 | 26.634 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 396 | ALA | 0 | 0.059 | 0.012 | 23.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 397 | PHE | 0 | 0.005 | -0.005 | 21.374 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 398 | ASP | -1 | -0.859 | -0.921 | 26.409 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 399 | GLN | 0 | 0.039 | 0.012 | 29.370 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 400 | PRO | 0 | 0.026 | 0.009 | 31.837 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 401 | GLY | 0 | 0.021 | 0.016 | 34.321 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 402 | VAL | 0 | 0.003 | 0.005 | 32.834 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 403 | GLU | -1 | -0.977 | -0.982 | 36.043 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 404 | LEU | 0 | 0.063 | 0.022 | 38.995 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 405 | GLY | 0 | 0.074 | 0.033 | 39.977 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 406 | LYS | 1 | 0.973 | 0.992 | 34.864 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 407 | VAL | 0 | -0.014 | -0.001 | 41.171 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 408 | LEU | 0 | -0.013 | -0.018 | 44.336 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 409 | THR | 0 | 0.003 | 0.005 | 42.470 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 410 | ARG | 1 | 0.965 | 0.975 | 41.984 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 411 | LYS | 1 | 0.950 | 0.986 | 46.861 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 412 | ARG | 1 | 0.904 | 0.940 | 47.588 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 413 | LEU | 0 | -0.011 | -0.007 | 45.754 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 414 | ALA | 0 | -0.044 | 0.002 | 49.891 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 415 | GLY | 0 | 0.005 | 0.011 | 52.567 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |