![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: N9L4Q
Calculation Name: 5XQ1-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5XQ1
Chain ID: A
UniProt ID: Q8CIB5
Base Structure: X-ray
Registration Date: 2023-06-22
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 | OptAll |
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 | 432 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7935906.693134 |
---|---|
FMO2-HF: Nuclear repulsion | 7757855.818203 |
FMO2-HF: Total energy | -178050.874931 |
FMO2-MP2: Total energy | -178566.839088 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F027525/ligand_interaction/ligand_F027525.png)
Ligand Interaction
![ligand interaction](./Kdata/F027525/ligand_interaction/ligand_interaction_F027525.png)
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:18:TRP)
Summations of interaction energy for
fragment #1(A:18:TRP)
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. |
-24.472 | -13.775 | 19.177 | -6.38 | -23.493 | -0.039 |
Interaction energy analysis for fragmet #1(A:18:TRP)
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 | 20 | LEU | 0 | 0.012 | 0.012 | 2.421 | -4.855 | -1.666 | 2.057 | -2.124 | -3.122 | -0.015 |
4 | A | 21 | SER | 0 | -0.008 | -0.006 | 4.298 | 1.194 | 1.319 | -0.001 | -0.021 | -0.103 | 0.000 |
5 | A | 22 | VAL | 0 | 0.014 | 0.004 | 7.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 23 | HIS | 0 | -0.003 | -0.007 | 10.723 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 24 | VAL | 0 | 0.012 | -0.003 | 14.306 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 25 | THR | 0 | 0.029 | 0.015 | 16.936 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 26 | ASP | -1 | -0.788 | -0.882 | 19.573 | -0.462 | -0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 27 | LEU | 0 | -0.035 | -0.023 | 19.934 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 28 | ASN | 0 | -0.024 | -0.006 | 20.323 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 29 | ARG | 1 | 0.952 | 0.979 | 17.495 | 0.434 | 0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 30 | ASP | -1 | -0.814 | -0.875 | 13.149 | -0.923 | -0.923 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 31 | VAL | 0 | -0.005 | -0.003 | 11.585 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 32 | THR | 0 | 0.004 | 0.005 | 7.212 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 33 | LEU | 0 | -0.019 | -0.007 | 6.958 | 0.414 | 0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 34 | ARG | 1 | 0.892 | 0.921 | 2.507 | -3.839 | -2.843 | 0.941 | -0.677 | -1.260 | -0.001 |
18 | A | 35 | VAL | 0 | -0.058 | -0.035 | 2.921 | -0.918 | 1.055 | 1.252 | -0.821 | -2.404 | 0.005 |
19 | A | 36 | THR | 0 | 0.026 | -0.003 | 2.513 | -4.063 | -2.716 | 2.153 | -1.451 | -2.049 | -0.015 |
20 | A | 37 | GLY | 0 | 0.068 | 0.048 | 2.530 | -0.315 | 0.696 | 4.579 | -2.674 | -2.916 | 0.008 |
21 | A | 38 | GLU | -1 | -0.838 | -0.915 | 3.020 | 1.576 | -2.653 | 0.313 | 4.727 | -0.812 | 0.002 |
22 | A | 39 | VAL | 0 | -0.054 | -0.039 | 5.964 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 40 | HIS | 0 | -0.024 | -0.022 | 7.507 | -0.280 | -0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 41 | ILE | 0 | 0.021 | 0.013 | 8.205 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 42 | GLY | 0 | 0.039 | 0.011 | 10.375 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 43 | GLY | 0 | -0.016 | -0.008 | 11.764 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 44 | VAL | 0 | -0.031 | -0.016 | 7.233 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 45 | MET | 0 | -0.010 | -0.011 | 10.041 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 46 | LEU | 0 | 0.015 | 0.013 | 13.534 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 47 | LYS | 1 | 0.932 | 0.967 | 7.933 | 1.002 | 1.002 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 48 | LEU | 0 | -0.027 | -0.007 | 12.249 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 49 | VAL | 0 | -0.001 | -0.001 | 13.774 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 50 | GLU | -1 | -0.950 | -0.974 | 14.028 | -0.447 | -0.447 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 51 | LYS | 1 | 0.843 | 0.916 | 11.270 | 0.948 | 0.948 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 52 | LEU | 0 | -0.037 | -0.024 | 15.923 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 53 | ASP | -1 | -0.860 | -0.914 | 18.660 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 54 | VAL | 0 | -0.008 | 0.006 | 21.054 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 55 | LYS | 1 | 0.815 | 0.899 | 23.601 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 56 | LYS | 1 | 0.821 | 0.912 | 21.714 | 0.463 | 0.463 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 57 | ASP | -1 | -0.802 | -0.871 | 24.652 | -0.364 | -0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 58 | TRP | 0 | -0.001 | -0.022 | 18.984 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 59 | SER | 0 | -0.007 | -0.022 | 21.587 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 60 | ASP | -1 | -0.749 | -0.874 | 23.748 | -0.400 | -0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 61 | HIS | 0 | -0.099 | -0.040 | 18.421 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 62 | ALA | 0 | 0.004 | 0.011 | 16.846 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 63 | LEU | 0 | -0.018 | -0.012 | 10.256 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 64 | TRP | 0 | 0.003 | -0.008 | 13.367 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 65 | TRP | 0 | 0.007 | -0.006 | 7.699 | -0.295 | -0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 66 | GLU | -1 | -0.775 | -0.870 | 12.265 | -0.504 | -0.504 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 67 | LYS | 1 | 0.892 | 0.940 | 9.632 | 0.824 | 0.824 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 68 | LYS | 1 | 0.926 | 0.960 | 10.444 | 1.053 | 1.053 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 69 | ARG | 1 | 0.771 | 0.882 | 14.115 | 0.425 | 0.425 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 70 | THR | 0 | 0.014 | -0.001 | 14.154 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 71 | TRP | 0 | 0.058 | 0.034 | 14.428 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 72 | LEU | 0 | -0.058 | -0.038 | 9.596 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 73 | LEU | 0 | 0.077 | 0.036 | 13.468 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 74 | LYS | 1 | 0.869 | 0.955 | 12.421 | 1.012 | 1.012 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 75 | THR | 0 | 0.069 | 0.007 | 13.526 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 76 | HIS | 0 | 0.079 | 0.037 | 13.271 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 77 | TRP | 0 | -0.026 | -0.019 | 10.816 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 78 | THR | 0 | -0.002 | -0.007 | 7.036 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 79 | LEU | 0 | 0.014 | 0.003 | 3.053 | -1.588 | -0.130 | 0.236 | -0.475 | -1.220 | 0.002 |
63 | A | 80 | ASP | -1 | -0.816 | -0.907 | 2.588 | -8.655 | -5.872 | 0.703 | -1.536 | -1.951 | -0.023 |
64 | A | 81 | LYS | 1 | 0.879 | 0.961 | 4.865 | 1.101 | 1.132 | -0.001 | -0.003 | -0.027 | 0.000 |
65 | A | 82 | CYS | 0 | -0.080 | -0.036 | 7.088 | 0.360 | 0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 83 | GLY | 0 | -0.010 | 0.001 | 6.488 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 84 | ILE | 0 | -0.076 | -0.048 | 3.541 | 0.355 | 0.720 | 0.001 | -0.067 | -0.299 | 0.000 |
68 | A | 85 | GLN | 0 | 0.010 | 0.013 | 2.569 | -4.528 | -3.020 | 0.906 | -0.797 | -1.617 | -0.010 |
69 | A | 86 | ALA | 0 | 0.059 | 0.023 | 2.339 | -5.991 | -3.621 | 5.958 | -3.700 | -4.626 | 0.007 |
70 | A | 87 | ASP | -1 | -0.904 | -0.953 | 3.134 | 1.340 | -1.060 | 0.081 | 3.246 | -0.927 | 0.001 |
71 | A | 88 | ALA | 0 | -0.076 | -0.033 | 4.671 | 0.442 | 0.612 | -0.001 | -0.007 | -0.160 | 0.000 |
72 | A | 89 | LYS | 1 | 0.853 | 0.903 | 6.358 | 0.673 | 0.673 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 90 | LEU | 0 | -0.027 | 0.000 | 6.650 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 91 | GLN | 0 | 0.009 | -0.003 | 10.009 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 92 | PHE | 0 | 0.001 | -0.004 | 13.385 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 93 | THR | 0 | 0.005 | -0.019 | 15.265 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 94 | PRO | 0 | -0.008 | 0.019 | 18.848 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 95 | GLN | 0 | -0.007 | -0.029 | 20.565 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 96 | HIS | 0 | -0.075 | -0.044 | 22.540 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 97 | LYS | 1 | 0.832 | 0.912 | 21.751 | 0.467 | 0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 98 | LEU | 0 | -0.002 | -0.017 | 26.985 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 99 | LEU | 0 | -0.012 | -0.003 | 29.491 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 100 | ARG | 1 | 0.868 | 0.937 | 31.876 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 101 | LEU | 0 | -0.013 | -0.019 | 34.501 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 102 | GLN | 0 | 0.062 | 0.046 | 37.402 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 103 | LEU | 0 | -0.006 | -0.006 | 40.644 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 104 | PRO | 0 | 0.019 | -0.006 | 42.906 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 105 | ASN | 0 | -0.056 | -0.019 | 45.492 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 106 | MET | 0 | -0.005 | 0.009 | 45.282 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 107 | LYS | 1 | 0.936 | 0.986 | 45.286 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 108 | TYR | 0 | -0.004 | -0.013 | 38.948 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 109 | VAL | 0 | -0.029 | 0.001 | 39.211 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 110 | LYN | 0 | -0.013 | 0.004 | 36.035 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 111 | VAL | 0 | -0.007 | -0.008 | 33.614 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 112 | LYS | 1 | 0.846 | 0.934 | 26.895 | 0.330 | 0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 113 | VAL | 0 | 0.019 | 0.008 | 29.288 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 114 | ASN | 0 | 0.055 | 0.037 | 24.421 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 115 | PHE | 0 | 0.022 | -0.009 | 23.432 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 116 | SER | 0 | -0.068 | -0.061 | 20.914 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 117 | ASP | -1 | -0.798 | -0.883 | 22.623 | -0.340 | -0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 118 | ARG | 1 | 0.880 | 0.939 | 24.863 | 0.312 | 0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 119 | VAL | 0 | 0.030 | 0.009 | 27.121 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 120 | PHE | 0 | 0.000 | 0.007 | 29.852 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 121 | LYS | 1 | 0.847 | 0.923 | 29.214 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 122 | ALA | 0 | 0.014 | 0.002 | 29.456 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 123 | VAL | 0 | 0.019 | 0.012 | 31.530 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 124 | SER | 0 | 0.061 | 0.031 | 34.768 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 125 | ASP | -1 | -0.827 | -0.900 | 32.394 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 126 | ILE | 0 | -0.001 | 0.016 | 33.240 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 127 | CYS | 0 | -0.041 | -0.020 | 36.665 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 128 | LYS | 1 | 0.810 | 0.889 | 35.809 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 129 | THR | 0 | -0.042 | -0.029 | 37.303 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 130 | PHE | 0 | -0.023 | -0.020 | 38.820 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 131 | ASN | 0 | -0.037 | -0.014 | 42.555 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 132 | ILE | 0 | -0.035 | -0.012 | 42.706 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 133 | ARG | 1 | 0.784 | 0.846 | 43.088 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 134 | HIS | 1 | 0.792 | 0.880 | 43.271 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 135 | PRO | 0 | 0.096 | 0.047 | 38.269 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 136 | GLU | -1 | -0.706 | -0.822 | 38.700 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 137 | GLU | -1 | -0.757 | -0.851 | 39.757 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 138 | LEU | 0 | -0.048 | -0.013 | 40.072 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 139 | SER | 0 | -0.013 | -0.010 | 34.980 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 140 | LEU | 0 | 0.004 | 0.003 | 31.982 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 141 | LEU | 0 | 0.008 | 0.021 | 34.848 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 142 | LYS | 1 | 0.866 | 0.914 | 27.812 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 143 | LYS | 1 | 0.885 | 0.927 | 34.676 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 144 | PRO | 0 | -0.014 | 0.011 | 36.417 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 160 | GLU | -1 | -0.969 | -0.976 | 40.290 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 161 | ASP | -1 | -0.852 | -0.944 | 42.164 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 162 | GLU | -1 | -0.876 | -0.928 | 36.452 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 163 | ALA | 0 | -0.008 | -0.008 | 38.747 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 164 | LEU | 0 | -0.014 | -0.007 | 40.281 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 165 | GLU | -1 | -0.851 | -0.923 | 38.837 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 166 | LEU | 0 | -0.012 | -0.018 | 39.111 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 167 | GLU | -1 | -0.891 | -0.944 | 41.697 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 218 | PRO | 0 | -0.013 | -0.020 | 45.510 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 219 | GLY | 0 | 0.010 | -0.004 | 47.250 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 220 | ILE | 0 | -0.011 | 0.002 | 44.534 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 221 | LEU | 0 | 0.001 | 0.021 | 43.010 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 222 | ALA | 0 | 0.015 | 0.001 | 47.078 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 223 | VAL | 0 | -0.016 | 0.006 | 50.774 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 224 | SER | 0 | -0.068 | -0.062 | 51.749 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 225 | GLN | 0 | 0.009 | 0.005 | 54.099 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 226 | PRO | 0 | 0.006 | 0.008 | 55.248 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 227 | VAL | 0 | 0.030 | 0.015 | 53.888 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 228 | THR | 0 | -0.005 | -0.011 | 56.071 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 229 | SER | 0 | 0.007 | -0.001 | 57.735 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 230 | PRO | 0 | 0.051 | 0.009 | 57.601 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 231 | GLU | -1 | -0.861 | -0.911 | 55.711 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 232 | ILE | 0 | -0.008 | -0.005 | 51.964 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 233 | LEU | 0 | 0.027 | 0.015 | 52.449 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 234 | ALA | 0 | -0.004 | -0.005 | 53.163 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 235 | LYS | 1 | 0.824 | 0.902 | 50.496 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 236 | MET | 0 | 0.008 | 0.008 | 47.448 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 237 | PHE | 0 | -0.022 | 0.005 | 48.781 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 238 | LYS | 1 | 0.828 | 0.909 | 44.673 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 239 | PRO | 0 | -0.030 | -0.013 | 46.645 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 240 | GLN | 0 | 0.049 | 0.030 | 47.773 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 241 | ALA | 0 | 0.022 | 0.020 | 49.735 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 242 | LEU | 0 | 0.034 | 0.002 | 48.406 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 243 | LEU | 0 | -0.004 | -0.005 | 45.599 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 244 | ASP | -1 | -0.843 | -0.919 | 44.317 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 245 | LYS | 1 | 0.809 | 0.902 | 43.776 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 246 | ALA | 0 | -0.022 | -0.010 | 42.806 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 247 | LYS | 1 | 0.943 | 0.965 | 39.699 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 248 | THR | 0 | -0.028 | -0.019 | 38.984 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 249 | ASN | 0 | 0.000 | -0.009 | 38.741 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 250 | GLN | 0 | -0.071 | -0.051 | 35.581 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 251 | GLY | 0 | 0.001 | 0.008 | 34.118 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 252 | TRP | 0 | -0.043 | -0.035 | 34.236 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 253 | LEU | 0 | -0.032 | -0.015 | 29.431 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 254 | ASP | -1 | -0.737 | -0.835 | 27.480 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 255 | SER | 0 | 0.006 | -0.049 | 28.889 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 256 | SER | 0 | -0.069 | -0.047 | 27.836 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 257 | ARG | 1 | 0.789 | 0.890 | 22.814 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 258 | SER | 0 | -0.007 | -0.023 | 21.962 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 259 | LEU | 0 | 0.028 | 0.009 | 24.603 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 260 | MET | 0 | 0.005 | 0.022 | 19.430 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 261 | GLU | -1 | -0.821 | -0.876 | 19.786 | -0.465 | -0.465 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 262 | GLN | 0 | -0.053 | -0.016 | 21.521 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 263 | ASP | -1 | -0.813 | -0.877 | 23.053 | -0.344 | -0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 264 | VAL | 0 | 0.025 | 0.030 | 24.796 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 265 | LYS | 1 | 0.801 | 0.882 | 21.016 | 0.399 | 0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 266 | GLU | -1 | -0.817 | -0.912 | 25.090 | -0.361 | -0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 267 | ASN | 0 | -0.054 | -0.034 | 26.877 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 268 | GLU | -1 | -0.803 | -0.880 | 27.972 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 269 | ALA | 0 | 0.011 | -0.002 | 31.142 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 270 | LEU | 0 | -0.060 | -0.020 | 30.738 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 271 | LEU | 0 | -0.001 | 0.005 | 35.063 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 272 | LEU | 0 | -0.005 | 0.004 | 37.537 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 273 | ARG | 1 | 0.833 | 0.902 | 39.111 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 274 | PHE | 0 | 0.004 | -0.012 | 40.811 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 275 | LYS | 1 | 0.845 | 0.945 | 34.743 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 276 | TYR | 0 | -0.043 | -0.033 | 37.506 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 277 | TYR | 0 | 0.023 | 0.013 | 43.495 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 278 | SER | 0 | -0.063 | -0.050 | 46.584 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 279 | PHE | 0 | 0.002 | 0.007 | 46.473 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 280 | PHE | 0 | 0.012 | 0.017 | 47.793 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 281 | ASP | -1 | -0.815 | -0.901 | 49.554 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 282 | LEU | 0 | 0.035 | 0.017 | 50.490 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 283 | ASN | 0 | 0.000 | -0.010 | 52.722 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 284 | PRO | 0 | 0.067 | 0.017 | 54.125 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 285 | LYS | 1 | 0.913 | 0.972 | 55.995 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 286 | TYR | 0 | -0.017 | -0.013 | 51.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 287 | ASP | -1 | -0.761 | -0.830 | 49.531 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 288 | ALA | 0 | 0.026 | 0.020 | 51.253 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 289 | ILE | 0 | 0.024 | 0.015 | 46.379 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 290 | ARG | 1 | 0.767 | 0.853 | 46.956 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 291 | ILE | 0 | 0.016 | -0.001 | 48.398 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 292 | ASN | 0 | -0.020 | -0.002 | 50.183 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 293 | GLN | 0 | 0.045 | -0.011 | 45.945 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 294 | LEU | 0 | 0.000 | 0.010 | 48.283 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 295 | TYR | 0 | -0.003 | -0.015 | 49.677 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 296 | GLU | -1 | -0.766 | -0.838 | 49.695 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 297 | GLN | 0 | 0.022 | 0.011 | 44.960 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 298 | ALA | 0 | -0.012 | -0.003 | 49.025 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 299 | LYS | 1 | 0.810 | 0.901 | 52.404 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 300 | TRP | 0 | -0.011 | -0.030 | 49.622 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 301 | ALA | 0 | 0.026 | 0.019 | 49.879 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 302 | LEU | 0 | -0.022 | -0.010 | 51.291 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 303 | LEU | 0 | -0.069 | -0.043 | 54.133 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 304 | LEU | 0 | -0.058 | -0.022 | 49.417 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 305 | GLU | -1 | -0.867 | -0.929 | 52.178 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 306 | GLU | -1 | -0.891 | -0.926 | 47.390 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 307 | ILE | 0 | -0.113 | -0.052 | 50.798 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 308 | GLU | -1 | -0.913 | -0.940 | 53.394 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 309 | CYS | 0 | -0.089 | -0.055 | 57.018 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 310 | THR | 0 | -0.030 | -0.036 | 60.290 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 311 | GLU | -1 | -0.868 | -0.935 | 63.622 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 312 | GLU | -1 | -0.860 | -0.919 | 65.864 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 313 | GLU | -1 | -0.863 | -0.926 | 62.288 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 314 | MET | 0 | 0.042 | 0.020 | 58.389 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 315 | MET | 0 | -0.032 | -0.018 | 62.823 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 316 | MET | 0 | -0.059 | -0.009 | 62.020 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 317 | PHE | 0 | 0.081 | 0.011 | 59.043 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 318 | ALA | 0 | 0.001 | 0.015 | 61.510 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 319 | ALA | 0 | -0.016 | -0.011 | 63.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 320 | LEU | 0 | -0.028 | -0.015 | 61.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 321 | GLN | 0 | 0.017 | -0.006 | 58.133 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 322 | TYR | 0 | 0.008 | 0.007 | 61.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 323 | HIS | 0 | -0.009 | -0.011 | 64.444 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 324 | ILE | 0 | -0.003 | -0.001 | 58.453 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 325 | ASN | 0 | 0.008 | 0.003 | 61.184 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 326 | LYS | 1 | 0.887 | 0.947 | 62.119 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 327 | LEU | 0 | 0.001 | -0.006 | 63.220 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 328 | SER | 0 | 0.034 | 0.005 | 59.054 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 329 | ILE | 0 | -0.026 | 0.017 | 61.323 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 330 | MET | 0 | 0.019 | 0.014 | 63.744 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 331 | THR | 0 | -0.103 | -0.051 | 60.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 332 | SER | 0 | -0.053 | -0.033 | 61.701 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 333 | GLU | -1 | -0.844 | -0.910 | 63.634 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 334 | ASN | 0 | -0.022 | -0.009 | 66.895 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 335 | HIS | 0 | -0.119 | -0.079 | 68.703 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 336 | LEU | 0 | -0.016 | -0.015 | 72.194 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 513 | THR | 0 | 0.017 | 0.014 | 71.993 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 514 | THR | 0 | -0.050 | -0.027 | 75.056 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 515 | ASP | -1 | -0.869 | -0.931 | 78.201 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 516 | VAL | 0 | -0.025 | -0.007 | 79.720 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 517 | ASN | 0 | 0.007 | -0.014 | 80.335 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 518 | PRO | 0 | 0.059 | 0.011 | 77.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 519 | GLU | -1 | -0.867 | -0.904 | 79.889 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 520 | CYS | 0 | -0.069 | -0.031 | 82.817 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 521 | LEU | 0 | 0.012 | 0.022 | 77.558 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 522 | VAL | 0 | -0.023 | -0.006 | 78.845 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 523 | SER | 0 | 0.043 | 0.021 | 81.429 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 524 | PRO | 0 | 0.087 | 0.014 | 84.126 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 525 | ARG | 1 | 0.905 | 0.957 | 82.975 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 526 | TYR | 0 | 0.000 | -0.011 | 79.166 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 527 | LEU | 0 | 0.050 | 0.036 | 82.862 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 528 | LYS | 1 | 0.927 | 0.970 | 85.185 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 529 | LYS | 1 | 0.883 | 0.957 | 77.725 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 530 | TYR | 0 | 0.027 | 0.009 | 75.906 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 531 | LYS | 1 | 1.017 | 1.010 | 81.108 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 532 | SER | 0 | 0.062 | -0.012 | 80.359 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 533 | LYS | 1 | 0.946 | 0.981 | 77.777 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 534 | GLN | 0 | 0.062 | 0.035 | 75.539 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 535 | ILE | 0 | -0.019 | 0.004 | 75.662 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 536 | THR | 0 | 0.025 | -0.001 | 75.455 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 537 | ALA | 0 | 0.004 | 0.004 | 72.248 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 538 | ARG | 1 | 0.921 | 0.952 | 71.325 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 539 | ILE | 0 | -0.010 | 0.005 | 71.613 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 540 | LEU | 0 | -0.002 | 0.004 | 70.323 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 541 | GLU | -1 | -0.949 | -0.972 | 66.851 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 542 | ALA | 0 | -0.001 | -0.004 | 66.746 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 543 | HIS | 0 | 0.023 | 0.008 | 67.502 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 544 | GLN | 0 | 0.020 | 0.020 | 64.027 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 545 | ASN | 0 | -0.035 | -0.024 | 62.432 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 546 | VAL | 0 | -0.001 | 0.002 | 63.645 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 547 | ALA | 0 | 0.013 | 0.021 | 64.964 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 548 | GLN | 0 | 0.019 | 0.000 | 57.496 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 549 | MET | 0 | -0.017 | -0.007 | 59.190 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 550 | SER | 0 | -0.016 | -0.024 | 61.712 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 551 | LEU | 0 | -0.027 | -0.010 | 58.317 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 552 | ILE | 0 | -0.026 | -0.006 | 56.397 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 553 | GLU | -1 | -0.830 | -0.938 | 58.676 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 554 | ALA | 0 | -0.085 | -0.029 | 61.289 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 555 | LYS | 1 | 0.893 | 0.947 | 54.760 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 556 | MET | 0 | -0.017 | -0.007 | 56.237 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 557 | ARG | 1 | 0.927 | 0.963 | 58.047 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 558 | PHE | 0 | 0.017 | 0.020 | 55.729 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 559 | ILE | 0 | -0.017 | -0.009 | 53.250 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 560 | GLN | 0 | 0.003 | -0.009 | 55.948 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 561 | ALA | 0 | 0.023 | 0.021 | 58.303 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 562 | TRP | 0 | 0.050 | 0.030 | 49.364 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 563 | GLN | 0 | -0.041 | -0.043 | 52.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 564 | SER | 0 | -0.111 | -0.061 | 55.604 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 565 | LEU | 0 | 0.028 | 0.035 | 56.194 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 566 | PRO | 0 | 0.024 | 0.005 | 56.923 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 567 | GLU | -1 | -0.797 | -0.897 | 51.823 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 568 | PHE | 0 | 0.001 | 0.011 | 51.003 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 569 | GLY | 0 | -0.038 | -0.033 | 49.271 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 570 | ILE | 0 | -0.087 | -0.040 | 48.069 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 571 | THR | 0 | -0.015 | 0.001 | 42.128 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 572 | HIS | 0 | 0.036 | 0.010 | 44.674 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 573 | PHE | 0 | 0.031 | 0.012 | 38.049 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 574 | ILE | 0 | 0.059 | 0.030 | 40.954 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 575 | ALA | 0 | -0.005 | 0.002 | 40.960 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 576 | ARG | 1 | 0.821 | 0.884 | 42.532 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 577 | PHE | 0 | 0.046 | 0.011 | 43.644 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 578 | GLN | 0 | 0.029 | 0.020 | 46.098 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 579 | GLY | 0 | -0.005 | -0.003 | 47.117 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 580 | GLY | 0 | -0.020 | -0.011 | 49.055 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 581 | LYS | 1 | 0.813 | 0.897 | 50.101 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 582 | ARG | 1 | 0.878 | 0.936 | 49.397 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 583 | GLU | -1 | -0.775 | -0.844 | 42.878 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 584 | GLU | -1 | -0.847 | -0.909 | 46.068 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 585 | LEU | 0 | 0.053 | 0.030 | 45.379 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 586 | ILE | 0 | -0.054 | -0.014 | 42.209 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 587 | GLY | 0 | 0.041 | 0.021 | 45.082 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 588 | ILE | 0 | -0.048 | -0.030 | 41.477 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 589 | ALA | 0 | 0.063 | 0.032 | 45.639 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 590 | TYR | 0 | 0.034 | 0.001 | 46.661 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 591 | ASN | 0 | -0.023 | -0.004 | 47.730 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 592 | ARG | 1 | 0.864 | 0.932 | 48.712 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 593 | LEU | 0 | 0.038 | 0.038 | 43.963 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 594 | ILE | 0 | 0.018 | -0.002 | 48.028 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 595 | ARG | 1 | 0.808 | 0.902 | 48.529 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 596 | MET | 0 | 0.009 | -0.009 | 49.587 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 597 | ASP | -1 | -0.744 | -0.843 | 50.241 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 598 | ALA | 0 | -0.013 | -0.019 | 48.624 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 599 | SER | 0 | -0.113 | -0.063 | 50.412 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 600 | THR | 0 | 0.002 | -0.040 | 53.674 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 601 | GLY | 0 | 0.044 | 0.022 | 52.955 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 602 | ASP | -1 | -0.890 | -0.901 | 54.018 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 603 | ALA | 0 | -0.008 | -0.020 | 54.051 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 604 | ILE | 0 | -0.036 | -0.009 | 52.611 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 605 | LYS | 1 | 0.918 | 0.963 | 53.140 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 606 | THR | 0 | 0.006 | 0.012 | 52.309 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 607 | TRP | 0 | -0.027 | -0.014 | 49.589 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 608 | ARG | 1 | 0.965 | 0.968 | 50.896 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 609 | PHE | 0 | 0.065 | 0.017 | 44.367 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 610 | SER | 0 | -0.027 | -0.025 | 48.435 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 611 | ASN | 0 | 0.024 | 0.017 | 51.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 612 | MET | 0 | -0.002 | 0.023 | 43.728 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 613 | LYS | 1 | 0.833 | 0.907 | 45.568 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 614 | GLN | 0 | -0.066 | -0.057 | 41.275 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 615 | TRP | 0 | -0.031 | -0.026 | 36.941 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 616 | ASN | 0 | 0.027 | 0.024 | 36.591 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 617 | VAL | 0 | 0.020 | 0.009 | 33.080 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 618 | ASN | 0 | 0.004 | 0.008 | 33.223 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 619 | TRP | 0 | 0.076 | 0.004 | 29.056 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 620 | GLU | -1 | -0.837 | -0.905 | 29.286 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 621 | ILE | 0 | -0.050 | -0.028 | 30.951 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 622 | LYS | 1 | 0.870 | 0.929 | 30.713 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 623 | MET | 0 | -0.014 | -0.001 | 34.398 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 624 | VAL | 0 | 0.041 | 0.032 | 37.013 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 625 | THR | 0 | -0.060 | -0.043 | 38.781 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 626 | VAL | 0 | 0.010 | 0.004 | 41.006 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 627 | GLU | -1 | -0.828 | -0.900 | 42.911 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 628 | PHE | 0 | -0.040 | -0.031 | 46.118 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 629 | ALA | 0 | 0.066 | 0.028 | 49.314 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 630 | ASP | -1 | -0.928 | -0.972 | 52.407 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 631 | GLU | -1 | -0.843 | -0.900 | 49.031 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 632 | VAL | 0 | -0.039 | -0.003 | 51.172 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 633 | ARG | 1 | 0.948 | 0.967 | 43.325 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 634 | LEU | 0 | -0.050 | -0.013 | 45.361 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 635 | SER | 0 | -0.032 | -0.032 | 42.296 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 636 | PHE | 0 | 0.007 | -0.010 | 40.809 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 637 | ILE | 0 | 0.009 | 0.018 | 37.560 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 638 | CYS | 0 | -0.041 | -0.018 | 37.351 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 639 | THR | 0 | 0.014 | -0.026 | 34.936 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 640 | GLU | -1 | -0.839 | -0.926 | 29.832 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 641 | VAL | 0 | 0.005 | 0.015 | 30.784 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 642 | ASP | -1 | -0.746 | -0.850 | 31.820 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 643 | CYS | 0 | -0.048 | 0.000 | 32.133 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 644 | LYS | 1 | 0.789 | 0.902 | 28.463 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 645 | VAL | 0 | 0.007 | 0.015 | 32.122 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 646 | VAL | 0 | 0.038 | 0.005 | 34.778 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 647 | HIS | 0 | -0.011 | 0.004 | 32.377 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 648 | GLU | -1 | -0.744 | -0.843 | 31.891 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 649 | PHE | 0 | 0.015 | 0.012 | 35.431 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 650 | ILE | 0 | -0.007 | 0.000 | 39.064 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 651 | GLY | 0 | 0.023 | 0.014 | 37.278 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 652 | GLY | 0 | 0.017 | 0.002 | 38.202 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 653 | TYR | 0 | 0.021 | 0.008 | 39.042 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 654 | ILE | 0 | -0.031 | 0.005 | 40.679 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 655 | PHE | 0 | 0.039 | 0.033 | 39.125 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 656 | LEU | 0 | -0.023 | -0.016 | 41.270 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 657 | SER | 0 | -0.087 | -0.049 | 43.893 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 658 | THR | 0 | -0.067 | -0.049 | 43.008 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 659 | ARG | 1 | 0.738 | 0.870 | 43.177 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 660 | ALA | 0 | 0.055 | 0.029 | 46.432 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 661 | LYS | 1 | 0.838 | 0.903 | 49.268 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 662 | ASP | -1 | -0.832 | -0.928 | 48.821 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 663 | GLN | 0 | -0.045 | -0.031 | 46.988 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 664 | ASN | 0 | -0.090 | -0.052 | 45.949 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 665 | GLU | -1 | -0.865 | -0.925 | 45.739 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 666 | SER | 0 | -0.043 | -0.010 | 40.152 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 667 | LEU | 0 | -0.041 | -0.021 | 39.482 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 668 | ASP | -1 | -0.811 | -0.914 | 36.359 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 669 | GLU | -1 | -0.835 | -0.918 | 32.423 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 670 | GLU | -1 | -0.914 | -0.949 | 29.970 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 671 | MET | 0 | -0.005 | 0.029 | 33.254 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 672 | PHE | 0 | 0.040 | 0.020 | 32.830 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 673 | TYR | 0 | -0.033 | -0.046 | 29.770 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 674 | LYS | 1 | 0.817 | 0.885 | 31.487 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 675 | LEU | 0 | -0.049 | -0.016 | 32.953 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 676 | THR | 0 | -0.031 | -0.026 | 32.870 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 677 | SER | 0 | -0.019 | 0.001 | 28.244 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 678 | GLY | 0 | 0.002 | 0.010 | 27.506 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 679 | TRP | 0 | -0.005 | 0.009 | 22.538 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 776 | THR | 0 | -0.074 | -0.064 | 30.142 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 777 | SER | 0 | -0.028 | 0.006 | 30.491 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 778 | THR | 0 | -0.020 | -0.032 | 32.518 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 779 | PHE | 0 | 0.007 | 0.006 | 31.927 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 780 | THR | 0 | 0.036 | 0.011 | 37.471 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 781 | ASN | 0 | -0.016 | -0.005 | 40.765 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 782 | ILE | 0 | 0.004 | -0.005 | 39.366 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 783 | THR | 0 | -0.047 | -0.023 | 43.769 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 784 | TYR | 0 | -0.047 | -0.016 | 46.858 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 785 | ARG | 1 | 0.930 | 0.965 | 48.623 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 786 | GLY | 0 | 0.004 | 0.016 | 51.865 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |