FMODB ID: 53V3Z
Calculation Name: 3O4X-E-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3O4X
Chain ID: E
UniProt ID: O08808
Base Structure: X-ray
Registration Date: 2023-06-19
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 | OptHSide |
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 | 433 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -5962936.295982 |
---|---|
FMO2-HF: Nuclear repulsion | 5784828.951699 |
FMO2-HF: Total energy | -178107.344284 |
FMO2-MP2: Total energy | -178619.520393 |
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(E:745:VAL)
Summations of interaction energy for
fragment #1(E:745:VAL)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-3.936 | -1.849 | -0.012 | -1.159 | -0.916 | 0.006 |
Interaction energy analysis for fragmet #1(E:745:VAL)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | E | 747 | PRO | 0 | 0.018 | 0.020 | 3.863 | -2.728 | -0.641 | -0.012 | -1.159 | -0.916 | 0.006 |
4 | E | 748 | PHE | 0 | 0.052 | 0.018 | 6.447 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | E | 749 | GLY | 0 | -0.001 | 0.015 | 9.858 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | E | 750 | LEU | 0 | -0.027 | -0.016 | 10.101 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | E | 751 | THR | 0 | 0.008 | -0.001 | 9.148 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | E | 752 | PRO | 0 | 0.007 | -0.007 | 6.535 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | E | 753 | LYS | 1 | 0.835 | 0.913 | 9.351 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | E | 754 | LYS | 1 | 0.850 | 0.910 | 12.505 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | E | 755 | VAL | 0 | 0.023 | 0.015 | 12.078 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | E | 756 | TYR | 0 | 0.006 | -0.002 | 14.843 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | E | 757 | LYS | 1 | 0.937 | 0.953 | 16.407 | -0.333 | -0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | E | 758 | PRO | 0 | 0.000 | 0.007 | 20.987 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | E | 759 | GLU | -1 | -0.894 | -0.926 | 24.324 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | E | 760 | VAL | 0 | -0.013 | -0.010 | 27.705 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | E | 761 | GLN | 0 | 0.008 | 0.001 | 23.669 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | E | 762 | LEU | 0 | 0.006 | 0.005 | 25.477 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | E | 763 | ARG | 1 | 0.923 | 0.968 | 27.045 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | E | 764 | ARG | 1 | 0.945 | 0.963 | 22.476 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | E | 765 | PRO | 0 | 0.020 | 0.022 | 23.435 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | E | 766 | ASN | 0 | -0.017 | -0.012 | 22.665 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | E | 767 | TRP | 0 | 0.021 | 0.014 | 19.344 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | E | 768 | SER | 0 | 0.015 | -0.002 | 19.196 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | E | 769 | LYS | 1 | 0.903 | 0.959 | 11.216 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | E | 770 | PHE | 0 | 0.053 | 0.029 | 14.142 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | E | 771 | VAL | 0 | -0.095 | -0.052 | 7.717 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | E | 772 | ALA | 0 | -0.023 | -0.028 | 6.509 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | E | 773 | GLU | -1 | -0.923 | -0.968 | 6.164 | -0.947 | -0.947 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | E | 774 | ASP | -1 | -0.803 | -0.883 | 9.102 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | E | 775 | LEU | 0 | -0.090 | -0.041 | 12.057 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | E | 776 | SER | 0 | 0.012 | -0.002 | 13.166 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | E | 777 | GLN | 0 | 0.023 | -0.013 | 15.790 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | E | 778 | ASP | -1 | -0.922 | -0.949 | 17.219 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | E | 779 | CYS | 0 | -0.080 | -0.007 | 17.022 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | E | 780 | PHE | 0 | 0.040 | -0.001 | 19.660 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | E | 781 | TRP | 0 | 0.025 | -0.012 | 16.770 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | E | 782 | THR | 0 | 0.033 | 0.016 | 14.712 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | E | 783 | LYS | 1 | 0.856 | 0.922 | 16.715 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | E | 784 | VAL | 0 | 0.034 | 0.026 | 18.394 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | E | 785 | LYS | 1 | 0.812 | 0.924 | 14.027 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | E | 786 | GLU | -1 | -0.742 | -0.859 | 16.916 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | E | 787 | ASP | -1 | -0.778 | -0.851 | 16.775 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | E | 788 | ARG | 1 | 0.858 | 0.904 | 20.335 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | E | 789 | PHE | 0 | -0.026 | -0.004 | 22.974 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | E | 790 | GLU | -1 | -0.823 | -0.907 | 25.017 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | E | 791 | ASN | 0 | -0.088 | -0.042 | 23.314 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | E | 792 | ASN | 0 | -0.022 | -0.014 | 26.415 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | E | 793 | GLU | -1 | -0.851 | -0.931 | 28.171 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | E | 794 | LEU | 0 | 0.002 | -0.009 | 27.482 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | E | 795 | PHE | 0 | 0.041 | 0.025 | 23.771 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | E | 796 | ALA | 0 | 0.062 | 0.058 | 28.496 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | E | 797 | LYS | 1 | 0.962 | 0.964 | 31.755 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | E | 798 | LEU | 0 | -0.014 | -0.001 | 26.802 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | E | 799 | THR | 0 | -0.005 | -0.038 | 29.164 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | E | 800 | LEU | 0 | -0.050 | -0.029 | 30.849 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | E | 801 | ALA | 0 | -0.019 | 0.011 | 33.876 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | E | 802 | PHE | 0 | -0.031 | -0.016 | 30.573 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | E | 803 | SER | 0 | -0.004 | 0.013 | 31.190 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | E | 804 | ALA | 0 | -0.054 | -0.035 | 31.305 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | E | 805 | GLN | 0 | -0.002 | -0.001 | 33.212 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | E | 806 | THR | 0 | 0.029 | 0.025 | 35.148 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | E | 828 | LYS | 1 | 0.850 | 0.952 | 52.683 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | E | 829 | VAL | 0 | 0.010 | -0.030 | 52.339 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | E | 830 | LYS | 1 | 0.885 | 0.930 | 55.895 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | E | 831 | GLU | -1 | -0.909 | -0.934 | 56.476 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | E | 832 | LEU | 0 | -0.035 | -0.022 | 55.058 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | E | 833 | LYS | 1 | 0.851 | 0.909 | 58.767 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | E | 834 | VAL | 0 | -0.047 | -0.017 | 61.981 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | E | 835 | LEU | 0 | -0.048 | -0.021 | 59.327 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | E | 836 | ASP | -1 | -0.779 | -0.884 | 56.010 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | E | 837 | SER | 0 | 0.009 | -0.020 | 51.299 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | E | 838 | LYS | 1 | 0.929 | 0.968 | 52.066 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | E | 839 | THR | 0 | 0.023 | -0.011 | 53.865 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | E | 840 | ALA | 0 | 0.004 | 0.005 | 55.699 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | E | 841 | GLN | 0 | -0.031 | 0.001 | 48.600 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | E | 842 | ASN | 0 | -0.012 | -0.018 | 52.820 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | E | 843 | LEU | 0 | 0.049 | 0.027 | 54.594 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | E | 844 | SER | 0 | -0.016 | -0.008 | 53.651 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | E | 845 | ILE | 0 | -0.032 | -0.002 | 50.119 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | E | 846 | PHE | 0 | -0.012 | -0.009 | 54.101 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | E | 847 | LEU | 0 | 0.009 | -0.011 | 57.388 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | E | 848 | GLY | 0 | -0.004 | 0.005 | 55.567 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | E | 849 | SER | 0 | -0.067 | -0.039 | 55.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | E | 850 | PHE | 0 | -0.005 | -0.001 | 57.629 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | E | 851 | ARG | 1 | 0.890 | 0.948 | 58.367 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | E | 852 | MET | 0 | 0.025 | 0.038 | 62.149 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | E | 853 | PRO | 0 | 0.042 | 0.017 | 65.734 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | E | 854 | TYR | 0 | 0.055 | 0.005 | 62.028 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | E | 855 | GLN | 0 | -0.003 | -0.020 | 68.244 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | E | 856 | GLU | -1 | -0.942 | -0.952 | 70.548 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | E | 857 | ILE | 0 | 0.031 | 0.004 | 65.936 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | E | 858 | LYS | 1 | 0.922 | 0.956 | 70.492 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | E | 859 | ASN | 0 | 0.001 | -0.013 | 72.937 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | E | 860 | VAL | 0 | 0.049 | 0.029 | 72.180 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | E | 861 | ILE | 0 | -0.035 | -0.021 | 70.589 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | E | 862 | LEU | 0 | -0.060 | -0.035 | 74.434 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | E | 863 | GLU | -1 | -0.847 | -0.916 | 77.959 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | E | 864 | VAL | 0 | -0.050 | -0.029 | 76.415 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | E | 865 | ASN | 0 | -0.031 | -0.016 | 75.732 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | E | 866 | GLU | -1 | -0.762 | -0.882 | 75.392 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | E | 867 | ALA | 0 | -0.025 | -0.001 | 75.132 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | E | 868 | VAL | 0 | -0.018 | 0.000 | 70.928 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | E | 869 | LEU | 0 | -0.031 | -0.007 | 70.608 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | E | 870 | THR | 0 | 0.028 | 0.004 | 67.505 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | E | 871 | GLU | -1 | -0.859 | -0.937 | 66.023 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | E | 872 | SER | 0 | 0.051 | 0.035 | 62.240 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | E | 873 | MET | 0 | -0.019 | 0.004 | 63.945 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | E | 874 | ILE | 0 | 0.038 | 0.007 | 65.235 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | E | 875 | GLN | 0 | -0.028 | -0.021 | 63.370 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | E | 876 | ASN | 0 | -0.089 | -0.045 | 59.710 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | E | 877 | LEU | 0 | 0.017 | 0.017 | 62.185 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | E | 878 | ILE | 0 | -0.011 | -0.005 | 64.372 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | E | 879 | LYS | 1 | 0.914 | 0.958 | 55.503 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | E | 880 | GLN | 0 | -0.035 | -0.025 | 56.851 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | E | 881 | MET | 0 | -0.049 | -0.002 | 60.859 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | E | 882 | PRO | 0 | 0.035 | 0.023 | 62.044 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | E | 883 | GLU | -1 | -0.923 | -0.955 | 62.446 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | E | 884 | PRO | 0 | -0.015 | -0.040 | 65.713 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | E | 885 | GLU | -1 | -0.930 | -0.952 | 66.318 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | E | 886 | GLN | 0 | 0.036 | -0.009 | 60.760 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | E | 887 | LEU | 0 | -0.015 | 0.006 | 66.295 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | E | 888 | LYS | 1 | 0.845 | 0.916 | 68.649 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | E | 889 | MET | 0 | -0.020 | -0.011 | 65.607 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | E | 890 | LEU | 0 | 0.039 | 0.029 | 64.276 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | E | 891 | SER | 0 | -0.054 | -0.024 | 68.555 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | E | 892 | GLU | -1 | -0.854 | -0.918 | 71.525 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | E | 893 | LEU | 0 | -0.012 | 0.003 | 66.846 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | E | 894 | LYS | 1 | 0.866 | 0.920 | 70.077 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | E | 895 | GLU | -1 | -0.952 | -0.962 | 72.338 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | E | 896 | GLU | -1 | -0.814 | -0.884 | 67.614 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | E | 897 | TYR | 0 | -0.028 | -0.034 | 66.925 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | E | 898 | ASP | -1 | -0.895 | -0.953 | 66.888 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | E | 899 | ASP | -1 | -0.945 | -0.978 | 64.279 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | E | 900 | LEU | 0 | -0.050 | -0.008 | 62.607 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | E | 901 | ALA | 0 | 0.019 | -0.005 | 58.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | E | 902 | GLU | -1 | -0.888 | -0.952 | 58.204 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | E | 903 | SER | 0 | -0.019 | -0.003 | 57.770 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | E | 904 | GLU | -1 | -0.715 | -0.875 | 60.223 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | E | 905 | GLN | 0 | -0.007 | 0.010 | 62.911 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | E | 906 | PHE | 0 | 0.021 | 0.011 | 63.426 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | E | 907 | GLY | 0 | 0.023 | 0.006 | 64.770 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | E | 908 | VAL | 0 | 0.017 | 0.012 | 66.411 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | E | 909 | VAL | 0 | -0.045 | -0.011 | 68.791 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | E | 910 | MET | 0 | -0.011 | -0.017 | 67.715 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | E | 911 | GLY | 0 | 0.010 | 0.013 | 70.462 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | E | 912 | THR | 0 | -0.076 | -0.030 | 71.875 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | E | 913 | VAL | 0 | -0.019 | 0.005 | 73.387 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | E | 914 | PRO | 0 | 0.018 | 0.007 | 75.206 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | E | 915 | ARG | 1 | 0.858 | 0.915 | 75.910 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | E | 916 | LEU | 0 | 0.092 | 0.044 | 69.676 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | E | 917 | ARG | 1 | 0.960 | 0.972 | 63.948 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | E | 918 | PRO | 0 | -0.002 | 0.000 | 71.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | E | 919 | ARG | 1 | 0.831 | 0.917 | 74.783 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | E | 920 | LEU | 0 | 0.003 | -0.011 | 68.227 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | E | 921 | ASN | 0 | 0.011 | 0.003 | 70.225 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | E | 922 | ALA | 0 | -0.003 | 0.003 | 72.419 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | E | 923 | ILE | 0 | 0.002 | -0.002 | 72.863 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | E | 924 | LEU | 0 | -0.016 | 0.009 | 67.796 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | E | 925 | PHE | 0 | 0.015 | -0.004 | 71.780 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | E | 926 | LYS | 1 | 0.873 | 0.931 | 74.014 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | E | 927 | LEU | 0 | -0.049 | -0.026 | 71.464 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | E | 928 | GLN | 0 | 0.013 | 0.000 | 67.929 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | E | 929 | PHE | 0 | -0.036 | -0.002 | 72.515 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | E | 930 | SER | 0 | 0.039 | -0.006 | 75.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | E | 931 | GLU | -1 | -0.875 | -0.937 | 69.827 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | E | 932 | GLN | 0 | 0.014 | 0.008 | 72.479 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | E | 933 | VAL | 0 | -0.002 | -0.010 | 73.745 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | E | 934 | GLU | -1 | -1.018 | -1.007 | 74.542 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | E | 935 | ASN | 0 | -0.010 | 0.001 | 70.276 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | E | 936 | ILE | 0 | -0.010 | 0.005 | 73.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | E | 937 | LYS | 1 | 0.977 | 0.985 | 76.506 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | E | 938 | PRO | 0 | 0.023 | 0.009 | 75.535 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | E | 939 | GLU | -1 | -0.862 | -0.943 | 72.322 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | E | 940 | ILE | 0 | 0.036 | 0.019 | 77.011 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | E | 941 | VAL | 0 | -0.035 | -0.010 | 80.386 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | E | 942 | SER | 0 | -0.049 | -0.025 | 77.885 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | E | 943 | VAL | 0 | 0.049 | 0.015 | 78.342 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | E | 944 | THR | 0 | -0.010 | -0.008 | 80.909 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | E | 945 | ALA | 0 | -0.022 | -0.013 | 82.766 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | E | 946 | ALA | 0 | 0.018 | 0.017 | 81.026 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | E | 947 | CYS | 0 | -0.034 | -0.024 | 83.165 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | E | 948 | GLU | -1 | -0.874 | -0.934 | 85.598 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | E | 949 | GLU | -1 | -0.847 | -0.917 | 83.481 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | E | 950 | LEU | 0 | -0.010 | -0.015 | 84.329 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | E | 951 | ARG | 1 | 0.899 | 0.968 | 86.952 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | E | 952 | LYS | 1 | 0.828 | 0.900 | 90.258 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | E | 953 | SER | 0 | -0.018 | -0.019 | 88.506 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | E | 954 | GLU | -1 | -0.842 | -0.934 | 90.554 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | E | 955 | ASN | 0 | -0.014 | -0.019 | 90.032 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | E | 956 | PHE | 0 | -0.009 | -0.012 | 84.743 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | E | 957 | SER | 0 | -0.054 | -0.031 | 88.883 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | E | 958 | SER | 0 | 0.024 | -0.003 | 91.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | E | 959 | LEU | 0 | -0.018 | 0.007 | 85.375 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | E | 960 | LEU | 0 | 0.001 | 0.015 | 87.177 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | E | 961 | GLU | -1 | -0.874 | -0.924 | 90.343 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | E | 962 | LEU | 0 | 0.003 | -0.002 | 90.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | E | 963 | THR | 0 | -0.064 | -0.061 | 86.948 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | E | 964 | LEU | 0 | -0.039 | -0.005 | 89.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | E | 965 | LEU | 0 | -0.014 | 0.015 | 92.341 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | E | 966 | VAL | 0 | 0.031 | 0.005 | 89.616 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | E | 967 | GLY | 0 | 0.031 | 0.008 | 90.028 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | E | 968 | ASN | 0 | -0.077 | -0.070 | 90.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | E | 969 | TYR | 0 | -0.044 | -0.005 | 93.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | E | 970 | MET | 0 | -0.007 | -0.005 | 86.671 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | E | 971 | ASN | 0 | -0.057 | -0.033 | 89.920 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | E | 972 | ALA | 0 | -0.005 | -0.002 | 92.138 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | E | 973 | GLY | 0 | 0.039 | 0.028 | 94.778 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | E | 974 | SER | 0 | -0.080 | -0.044 | 92.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | E | 975 | ARG | 1 | 0.934 | 0.966 | 86.467 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | E | 976 | ASN | 0 | -0.055 | -0.020 | 88.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | E | 977 | ALA | 0 | 0.099 | 0.036 | 92.310 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | E | 978 | GLY | 0 | -0.034 | 0.003 | 95.179 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | E | 979 | ALA | 0 | -0.020 | 0.001 | 93.278 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | E | 980 | PHE | 0 | 0.049 | 0.009 | 95.274 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | E | 981 | GLY | 0 | 0.030 | 0.017 | 92.761 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | E | 982 | PHE | 0 | -0.063 | -0.025 | 86.099 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | E | 983 | ASN | 0 | 0.039 | 0.033 | 83.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | E | 984 | ILE | 0 | 0.090 | 0.039 | 83.354 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | E | 985 | SER | 0 | 0.070 | 0.023 | 79.870 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | E | 986 | PHE | 0 | -0.073 | -0.049 | 80.075 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | E | 987 | LEU | 0 | 0.025 | 0.021 | 81.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | E | 988 | CYS | 0 | -0.018 | -0.004 | 76.266 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | E | 989 | LYS | 1 | 0.908 | 0.962 | 76.284 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | E | 990 | LEU | 0 | 0.002 | 0.019 | 78.736 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | E | 991 | ARG | 1 | 0.937 | 0.968 | 71.929 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | E | 992 | ASP | -1 | -0.881 | -0.950 | 75.476 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | E | 993 | THR | 0 | -0.055 | -0.006 | 77.730 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | E | 994 | LYS | 1 | 0.890 | 0.939 | 74.676 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | E | 995 | SER | 0 | -0.016 | -0.019 | 80.823 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | E | 996 | ALA | 0 | 0.045 | 0.016 | 80.984 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | E | 997 | ASP | -1 | -0.849 | -0.918 | 80.786 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | E | 998 | GLN | 0 | -0.035 | -0.024 | 76.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | E | 999 | LYS | 1 | 0.898 | 0.961 | 77.131 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | E | 1000 | MET | 0 | -0.052 | -0.012 | 78.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | E | 1001 | THR | 0 | 0.009 | -0.019 | 77.418 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | E | 1002 | LEU | 0 | 0.060 | 0.013 | 80.680 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | E | 1003 | LEU | 0 | 0.012 | 0.014 | 78.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | E | 1004 | HIS | 0 | -0.004 | 0.011 | 77.045 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | E | 1005 | PHE | 0 | 0.037 | 0.030 | 82.303 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | E | 1006 | LEU | 0 | 0.042 | 0.022 | 85.407 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | E | 1007 | ALA | 0 | 0.032 | 0.016 | 83.377 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | E | 1008 | GLU | -1 | -0.846 | -0.902 | 85.379 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | E | 1009 | LEU | 0 | -0.025 | -0.004 | 87.065 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | E | 1010 | CYS | 0 | -0.047 | -0.027 | 88.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | E | 1011 | GLU | -1 | -0.809 | -0.888 | 85.478 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | E | 1012 | ASN | 0 | -0.123 | -0.056 | 89.040 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | E | 1013 | ASP | -1 | -0.905 | -0.954 | 92.229 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | E | 1014 | HIS | 0 | -0.045 | -0.012 | 93.042 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | E | 1015 | PRO | 0 | 0.034 | 0.006 | 91.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | E | 1016 | GLU | -1 | -0.927 | -0.960 | 90.683 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | E | 1017 | VAL | 0 | 0.058 | 0.020 | 88.320 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | E | 1018 | LEU | 0 | -0.063 | -0.041 | 85.217 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | E | 1019 | LYS | 1 | 0.955 | 0.981 | 85.752 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | E | 1020 | PHE | 0 | 0.026 | 0.017 | 82.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | E | 1021 | PRO | 0 | -0.055 | -0.040 | 80.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | E | 1022 | ASP | -1 | -0.924 | -0.966 | 82.031 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | E | 1023 | GLU | -1 | -0.834 | -0.866 | 84.097 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | E | 1024 | LEU | 0 | -0.037 | 0.003 | 82.456 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | E | 1025 | ALA | 0 | 0.014 | 0.008 | 81.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | E | 1026 | HIS | 0 | -0.048 | -0.057 | 79.581 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | E | 1027 | VAL | 0 | 0.010 | 0.005 | 78.322 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | E | 1028 | GLU | -1 | -0.832 | -0.895 | 72.689 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | E | 1029 | LYS | 1 | 0.882 | 0.948 | 74.248 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | E | 1030 | ALA | 0 | 0.018 | 0.014 | 74.727 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | E | 1031 | SER | 0 | -0.065 | -0.039 | 73.116 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | E | 1032 | ARG | 1 | 0.842 | 0.894 | 68.313 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | E | 1033 | VAL | 0 | -0.014 | 0.025 | 70.838 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | E | 1034 | SER | 0 | 0.006 | 0.004 | 70.320 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | E | 1035 | ALA | 0 | 0.028 | -0.002 | 72.444 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | E | 1036 | GLU | -1 | -0.870 | -0.935 | 71.444 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | E | 1037 | ASN | 0 | 0.011 | -0.021 | 68.218 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | E | 1038 | LEU | 0 | 0.036 | 0.050 | 72.416 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | E | 1039 | GLN | 0 | -0.032 | -0.021 | 75.682 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | E | 1040 | LYS | 1 | 0.865 | 0.922 | 69.584 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | E | 1041 | SER | 0 | 0.005 | -0.004 | 73.134 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | E | 1042 | LEU | 0 | 0.007 | 0.007 | 74.613 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | E | 1043 | ASP | -1 | -0.848 | -0.910 | 76.929 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | E | 1044 | GLN | 0 | -0.043 | -0.013 | 69.781 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | E | 1045 | MET | 0 | 0.022 | 0.020 | 75.488 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | E | 1046 | LYS | 1 | 0.888 | 0.940 | 77.531 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | E | 1047 | LYS | 1 | 0.800 | 0.888 | 74.364 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | E | 1048 | GLN | 0 | 0.024 | -0.001 | 72.341 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | E | 1049 | ILE | 0 | -0.009 | 0.002 | 77.114 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | E | 1050 | ALA | 0 | 0.020 | 0.006 | 80.687 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | E | 1051 | ASP | -1 | -0.852 | -0.903 | 76.069 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | E | 1052 | VAL | 0 | 0.015 | 0.001 | 78.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | E | 1053 | GLU | -1 | -0.925 | -0.957 | 80.208 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | E | 1054 | ARG | 1 | 0.955 | 0.975 | 79.266 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | E | 1055 | ASP | -1 | -0.908 | -0.959 | 77.699 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | E | 1056 | VAL | 0 | -0.047 | -0.026 | 81.214 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | E | 1057 | GLN | 0 | -0.026 | -0.008 | 84.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | E | 1058 | ASN | 0 | -0.101 | -0.046 | 82.713 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | E | 1059 | PHE | 0 | 0.000 | 0.005 | 79.008 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | E | 1060 | PRO | 0 | -0.013 | -0.004 | 81.998 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | E | 1061 | ALA | 0 | 0.007 | 0.003 | 85.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | E | 1062 | ALA | 0 | 0.024 | 0.002 | 84.733 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | E | 1063 | THR | 0 | -0.013 | -0.003 | 83.768 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | E | 1064 | ASP | -1 | -0.872 | -0.917 | 81.189 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | E | 1065 | GLU | -1 | -0.875 | -0.947 | 84.825 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | E | 1066 | LYS | 1 | 0.795 | 0.887 | 78.964 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | E | 1067 | ASP | -1 | -0.864 | -0.901 | 81.203 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | E | 1068 | LYS | 1 | 0.866 | 0.919 | 81.749 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | E | 1069 | PHE | 0 | 0.007 | 0.007 | 77.711 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | E | 1070 | VAL | 0 | 0.047 | 0.007 | 81.993 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | E | 1071 | GLU | -1 | -0.840 | -0.886 | 85.178 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | E | 1072 | LYS | 1 | 0.865 | 0.907 | 80.233 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | E | 1073 | MET | 0 | -0.015 | 0.004 | 78.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | E | 1074 | THR | 0 | -0.006 | -0.010 | 82.984 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | E | 1075 | SER | 0 | -0.048 | -0.034 | 85.707 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | E | 1076 | PHE | 0 | 0.018 | 0.021 | 78.451 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | E | 1077 | VAL | 0 | 0.048 | 0.031 | 83.248 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | E | 1078 | LYS | 1 | 0.905 | 0.948 | 84.829 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | E | 1079 | ASP | -1 | -0.860 | -0.921 | 83.415 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | E | 1080 | ALA | 0 | 0.025 | 0.013 | 81.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | E | 1081 | GLN | 0 | -0.025 | -0.017 | 83.239 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | E | 1082 | GLU | -1 | -0.846 | -0.893 | 85.746 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | E | 1083 | GLN | 0 | -0.007 | -0.036 | 82.304 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | E | 1084 | TYR | 0 | 0.032 | 0.022 | 81.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | E | 1085 | ASN | 0 | -0.057 | -0.035 | 83.848 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | E | 1086 | LYS | 1 | 0.793 | 0.888 | 86.286 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | E | 1087 | LEU | 0 | 0.020 | 0.006 | 79.573 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | E | 1088 | ARG | 1 | 0.970 | 0.985 | 83.858 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | E | 1089 | MET | 0 | -0.015 | -0.004 | 85.026 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | E | 1090 | MET | 0 | -0.009 | -0.005 | 83.750 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | E | 1091 | HIS | 0 | 0.053 | 0.043 | 79.461 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | E | 1092 | SER | 0 | -0.012 | -0.006 | 83.879 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | E | 1093 | ASN | 0 | -0.049 | -0.014 | 86.774 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | E | 1094 | MET | 0 | -0.025 | -0.006 | 80.317 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | E | 1095 | GLU | -1 | -0.892 | -0.971 | 82.320 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | E | 1096 | THR | 0 | -0.049 | -0.026 | 85.254 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | E | 1097 | LEU | 0 | 0.036 | 0.016 | 87.243 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | E | 1098 | TYR | 0 | -0.037 | -0.032 | 80.866 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | E | 1099 | LYS | 1 | 0.765 | 0.851 | 85.918 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | E | 1100 | GLU | -1 | -0.956 | -0.983 | 88.170 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | E | 1101 | LEU | 0 | -0.016 | -0.010 | 85.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | E | 1102 | GLY | 0 | -0.014 | 0.005 | 87.570 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | E | 1103 | ASP | -1 | -0.810 | -0.886 | 88.273 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | E | 1104 | TYR | 0 | -0.072 | -0.027 | 91.449 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | E | 1105 | PHE | 0 | -0.004 | -0.025 | 88.318 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | E | 1106 | VAL | 0 | -0.034 | -0.002 | 89.388 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | E | 1107 | PHE | 0 | -0.046 | -0.020 | 83.734 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | E | 1108 | ASP | -1 | -0.811 | -0.905 | 84.107 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | E | 1109 | PRO | 0 | 0.022 | 0.014 | 83.370 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | E | 1110 | LYS | 1 | 0.913 | 0.944 | 82.310 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | E | 1111 | LYS | 1 | 0.809 | 0.901 | 78.863 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | E | 1112 | LEU | 0 | 0.039 | 0.039 | 76.680 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | E | 1113 | SER | 0 | 0.002 | 0.005 | 74.656 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | E | 1114 | VAL | 0 | 0.038 | 0.005 | 77.494 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | E | 1115 | GLU | -1 | -0.752 | -0.841 | 72.798 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | E | 1116 | GLU | -1 | -0.916 | -0.971 | 72.286 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | E | 1117 | PHE | 0 | -0.032 | -0.008 | 75.025 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | E | 1118 | PHE | 0 | 0.008 | -0.028 | 77.576 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | E | 1119 | MET | 0 | -0.004 | 0.009 | 70.168 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | E | 1120 | ASP | -1 | -0.924 | -0.951 | 74.757 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | E | 1121 | LEU | 0 | -0.028 | -0.016 | 76.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | E | 1122 | HIS | 0 | 0.035 | 0.027 | 71.818 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | E | 1123 | ASN | 0 | -0.023 | -0.025 | 71.724 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | E | 1124 | PHE | 0 | 0.048 | 0.005 | 74.767 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | E | 1125 | ARG | 1 | 0.848 | 0.940 | 76.489 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | E | 1126 | ASN | 0 | 0.008 | -0.016 | 72.738 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | E | 1127 | MET | 0 | -0.057 | -0.017 | 74.733 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | E | 1128 | PHE | 0 | 0.037 | 0.026 | 76.460 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | E | 1129 | LEU | 0 | 0.043 | 0.008 | 77.508 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | E | 1130 | GLN | 0 | -0.098 | -0.045 | 72.695 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | E | 1131 | ALA | 0 | -0.016 | -0.020 | 76.264 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | E | 1132 | VAL | 0 | 0.042 | 0.018 | 78.872 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | E | 1133 | LYS | 1 | 0.968 | 0.984 | 75.238 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | E | 1134 | GLU | -1 | -0.864 | -0.913 | 73.894 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | E | 1135 | ASN | 0 | -0.009 | -0.004 | 77.824 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | E | 1136 | GLN | 0 | -0.027 | -0.004 | 80.678 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | E | 1137 | LYS | 1 | 0.966 | 0.994 | 73.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | E | 1138 | ARG | 1 | 0.826 | 0.895 | 78.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | E | 1139 | ARG | 1 | 0.823 | 0.875 | 79.818 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | E | 1140 | GLU | -1 | -0.887 | -0.944 | 79.889 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | E | 1141 | THR | 0 | -0.124 | -0.083 | 77.946 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | E | 1142 | GLU | -1 | -0.885 | -0.934 | 80.472 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | E | 1143 | GLU | -1 | -0.807 | -0.880 | 83.877 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | E | 1144 | LYS | 1 | 0.855 | 0.914 | 79.448 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | E | 1145 | MET | 0 | 0.016 | 0.018 | 81.426 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | E | 1146 | ARG | 1 | 0.933 | 0.969 | 83.417 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | E | 1147 | ARG | 1 | 0.865 | 0.897 | 86.859 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | E | 1148 | ALA | 0 | -0.013 | -0.001 | 83.418 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | E | 1149 | LYS | 1 | 0.849 | 0.911 | 85.432 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | E | 1150 | LEU | 0 | 0.031 | 0.022 | 87.081 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | E | 1151 | ALA | 0 | 0.007 | 0.000 | 87.713 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | E | 1152 | LYS | 1 | 0.976 | 0.989 | 84.752 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | E | 1153 | GLU | -1 | -0.869 | -0.925 | 88.280 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | E | 1154 | LYS | 1 | 0.811 | 0.893 | 91.395 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | E | 1155 | ALA | 0 | 0.019 | 0.008 | 89.437 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | E | 1156 | GLU | -1 | -0.793 | -0.867 | 89.940 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | E | 1157 | LYS | 1 | 0.910 | 0.954 | 91.757 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | E | 1158 | GLU | -1 | -0.873 | -0.931 | 94.717 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | E | 1159 | ARG | 1 | 0.828 | 0.900 | 90.695 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | E | 1160 | LEU | 0 | 0.015 | 0.003 | 94.085 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | E | 1161 | GLU | -1 | -0.811 | -0.887 | 96.014 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | E | 1162 | LYS | 1 | 0.849 | 0.918 | 95.206 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | E | 1163 | GLN | 0 | -0.019 | -0.009 | 94.341 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | E | 1164 | GLN | 0 | 0.085 | 0.042 | 97.295 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | E | 1165 | LYS | 1 | 0.859 | 0.932 | 100.643 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | E | 1166 | ARG | 1 | 0.854 | 0.917 | 94.664 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | E | 1167 | GLU | -1 | -0.828 | -0.918 | 97.334 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | E | 1168 | GLN | 0 | -0.067 | -0.020 | 101.651 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | E | 1169 | LEU | 0 | -0.086 | -0.023 | 102.276 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | E | 1170 | ILE | 0 | 0.010 | -0.015 | 102.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | E | 1171 | ASP | -1 | -0.806 | -0.874 | 103.135 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | E | 1172 | MET | 0 | -0.133 | -0.059 | 99.778 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | E | 1173 | ASN | 0 | -0.121 | -0.089 | 100.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | E | 1174 | ALA | 0 | -0.043 | -0.036 | 102.241 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | E | 1175 | GLU | -1 | -0.844 | -0.902 | 104.936 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | E | 1176 | GLY | 0 | -0.021 | -0.006 | 108.420 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | E | 1177 | ASP | -1 | -0.912 | -0.947 | 107.639 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | E | 1178 | GLU | -1 | -0.962 | -0.982 | 110.382 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | E | 1179 | THR | 0 | -0.042 | -0.042 | 110.771 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | E | 1180 | GLY | 0 | 0.006 | 0.024 | 112.158 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | E | 1181 | VAL | 0 | 0.044 | -0.007 | 105.614 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | E | 1182 | MET | 0 | 0.040 | 0.031 | 102.799 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | E | 1183 | ASP | -1 | -0.860 | -0.929 | 107.308 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | E | 1184 | SER | 0 | -0.068 | -0.040 | 109.189 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | E | 1185 | LEU | 0 | -0.030 | -0.011 | 102.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | E | 1186 | LEU | 0 | -0.014 | -0.023 | 105.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | E | 1187 | GLU | -1 | -0.826 | -0.902 | 107.261 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | E | 1188 | ALA | 0 | 0.020 | 0.018 | 106.413 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | E | 1189 | LEU | 0 | -0.052 | -0.040 | 101.774 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | E | 1190 | GLN | 0 | -0.073 | -0.028 | 105.283 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | E | 1191 | SER | 0 | -0.030 | -0.014 | 108.201 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | E | 1192 | GLY | 0 | -0.001 | 0.002 | 105.395 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | E | 1193 | ALA | 0 | -0.089 | -0.047 | 105.227 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | E | 1194 | ALA | 0 | 0.055 | 0.020 | 102.124 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | E | 1195 | PHE | 0 | -0.058 | -0.014 | 99.066 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | E | 1196 | ARG | 1 | 0.963 | 1.003 | 101.513 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | E | 1197 | ARG | 1 | 0.994 | 0.981 | 100.234 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | E | 1198 | LYS | 1 | 0.908 | 0.949 | 96.925 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |