![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 7232K
Calculation Name: 3LH9-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3LH9
Chain ID: A
UniProt ID: Q8C0E2
Base Structure: X-ray
Registration Date: 2023-06-21
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 | 289 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4019590.376629 |
---|---|
FMO2-HF: Nuclear repulsion | 3901848.042786 |
FMO2-HF: Total energy | -117742.333844 |
FMO2-MP2: Total energy | -118090.480906 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F024059/ligand_interaction/ligand_F024059.png)
Ligand Interaction
![ligand interaction](./Kdata/F024059/ligand_interaction/ligand_interaction_F024059.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:9:SER)
Summations of interaction energy for
fragment #1(A:9:SER)
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. |
-24.88 | -21.685 | 8.445 | -4.776 | -6.863 | 0.037 |
Interaction energy analysis for fragmet #1(A:9:SER)
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 | 11 | GLU | -1 | -0.803 | -0.877 | 3.841 | -1.013 | 1.155 | -0.024 | -1.052 | -1.091 | -0.002 |
4 | A | 12 | VAL | 0 | 0.007 | 0.007 | 5.895 | 0.442 | 0.442 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 13 | GLU | -1 | -0.850 | -0.908 | 9.138 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 14 | ILE | 0 | -0.036 | -0.018 | 12.396 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 15 | LEU | 0 | 0.000 | 0.001 | 15.838 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 16 | LEU | 0 | -0.014 | -0.003 | 18.563 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 17 | ASN | 0 | -0.001 | -0.021 | 22.236 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 18 | ASP | -1 | -0.873 | -0.943 | 25.019 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 19 | ALA | 0 | -0.021 | -0.005 | 22.659 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 20 | GLU | -1 | -0.959 | -0.989 | 24.690 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 21 | SER | 0 | -0.024 | 0.000 | 26.801 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 22 | ARG | 1 | 0.826 | 0.916 | 26.358 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 23 | LYS | 1 | 0.825 | 0.903 | 29.191 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 24 | ARG | 1 | 0.898 | 0.949 | 22.110 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 25 | ALA | 0 | -0.020 | -0.021 | 28.629 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 26 | GLU | -1 | -0.891 | -0.936 | 28.779 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 27 | HIS | 0 | -0.009 | -0.008 | 27.512 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 28 | LYS | 1 | 0.943 | 0.984 | 28.188 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 29 | THR | 0 | 0.045 | 0.019 | 23.989 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 30 | GLU | -1 | -0.785 | -0.886 | 25.094 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 31 | ASP | -1 | -0.802 | -0.880 | 26.381 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 32 | GLY | 0 | -0.042 | -0.024 | 28.363 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 33 | LYS | 1 | 0.853 | 0.926 | 26.629 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 34 | LYS | 1 | 0.821 | 0.904 | 28.256 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 35 | GLU | -1 | -0.826 | -0.891 | 23.000 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 36 | LYS | 1 | 0.829 | 0.880 | 25.504 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 37 | TYR | 0 | 0.017 | 0.019 | 21.986 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 38 | PHE | 0 | 0.014 | -0.003 | 21.041 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 39 | LEU | 0 | -0.008 | 0.011 | 26.119 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 40 | PHE | 0 | -0.004 | -0.008 | 25.629 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 41 | TYR | 0 | 0.029 | 0.008 | 30.772 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 42 | ASP | -1 | -0.758 | -0.880 | 33.391 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 43 | GLY | 0 | 0.008 | 0.016 | 34.587 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 44 | GLU | -1 | -0.845 | -0.908 | 31.819 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 45 | THR | 0 | 0.073 | 0.022 | 29.049 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 46 | VAL | 0 | -0.038 | -0.010 | 24.300 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 47 | SER | 0 | -0.003 | -0.006 | 24.590 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 48 | GLY | 0 | 0.043 | 0.018 | 21.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 49 | LYS | 1 | 0.816 | 0.901 | 18.115 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 50 | VAL | 0 | 0.002 | 0.007 | 12.942 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 51 | SER | 0 | 0.000 | -0.007 | 13.245 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 52 | LEU | 0 | 0.003 | 0.000 | 8.717 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 53 | SER | 0 | 0.012 | 0.006 | 7.809 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 54 | LEU | 0 | -0.030 | -0.017 | 5.377 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 55 | LYS | 1 | 0.810 | 0.890 | 2.278 | -3.475 | -3.277 | 3.064 | -1.052 | -2.209 | 0.004 |
48 | A | 56 | ASN | 0 | 0.014 | -0.004 | 4.395 | -1.358 | -1.192 | -0.001 | -0.021 | -0.144 | 0.000 |
49 | A | 57 | PRO | 0 | 0.034 | 0.015 | 6.324 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 58 | ASN | 0 | -0.044 | -0.006 | 9.088 | -0.300 | -0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 59 | LYS | 1 | 0.868 | 0.927 | 2.008 | -20.842 | -20.783 | 5.394 | -2.459 | -2.994 | 0.034 |
52 | A | 60 | ARG | 1 | 0.838 | 0.934 | 7.229 | -0.347 | -0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 61 | LEU | 0 | -0.037 | -0.025 | 3.486 | 0.342 | 0.765 | 0.014 | -0.155 | -0.282 | 0.001 |
54 | A | 62 | GLU | -1 | -0.813 | -0.871 | 6.119 | -0.376 | -0.376 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 63 | HIS | 0 | 0.024 | 0.022 | 7.620 | -0.500 | -0.500 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 64 | GLN | 0 | -0.022 | -0.042 | 9.923 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 65 | GLY | 0 | 0.051 | 0.029 | 12.746 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 66 | ILE | 0 | -0.026 | -0.014 | 11.093 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 67 | LYS | 1 | 0.895 | 0.954 | 13.888 | 0.468 | 0.468 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 68 | ILE | 0 | 0.013 | 0.003 | 15.529 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 69 | GLU | -1 | -0.783 | -0.878 | 18.053 | -0.349 | -0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 70 | PHE | 0 | -0.011 | -0.010 | 20.597 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 71 | ILE | 0 | 0.030 | 0.016 | 21.176 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 72 | GLY | 0 | 0.024 | 0.017 | 24.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 73 | GLN | 0 | -0.001 | -0.005 | 23.770 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 74 | ILE | 0 | -0.028 | -0.031 | 28.211 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 75 | GLU | -1 | -0.749 | -0.865 | 25.011 | -0.300 | -0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 76 | LEU | 0 | 0.021 | -0.001 | 29.300 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 77 | TYR | 0 | -0.011 | -0.022 | 29.226 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 78 | TYR | 0 | -0.031 | -0.011 | 31.687 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 79 | ASP | -1 | -0.907 | -0.948 | 31.807 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 80 | ARG | 1 | 0.751 | 0.860 | 25.318 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 81 | GLY | 0 | -0.027 | -0.022 | 25.257 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 82 | ASN | 0 | -0.082 | -0.039 | 25.441 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 83 | HIS | 0 | 0.005 | 0.001 | 22.415 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 84 | HIS | 0 | 0.018 | 0.012 | 27.368 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 85 | GLU | -1 | -0.859 | -0.918 | 24.025 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 86 | PHE | 0 | -0.068 | -0.042 | 28.730 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 87 | VAL | 0 | -0.026 | 0.004 | 28.448 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 88 | SER | 0 | 0.037 | -0.010 | 25.475 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 89 | LEU | 0 | -0.065 | -0.017 | 25.254 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 90 | VAL | 0 | 0.028 | 0.011 | 20.841 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 91 | LYS | 1 | 0.882 | 0.939 | 21.418 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 92 | ASP | -1 | -0.888 | -0.952 | 19.037 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 93 | LEU | 0 | -0.054 | -0.037 | 16.268 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 94 | ALA | 0 | -0.024 | -0.009 | 14.882 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 95 | ARG | 1 | 0.964 | 0.981 | 16.645 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 96 | PRO | 0 | 0.003 | -0.004 | 14.418 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 97 | GLY | 0 | 0.010 | 0.011 | 13.154 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 98 | GLU | -1 | -0.897 | -0.957 | 9.978 | 0.559 | 0.559 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 99 | ILE | 0 | -0.045 | -0.005 | 8.310 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 100 | THR | 0 | 0.029 | -0.005 | 8.743 | 0.377 | 0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 101 | GLN | 0 | 0.018 | -0.010 | 10.186 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 102 | SER | 0 | 0.009 | 0.011 | 10.085 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 103 | GLN | 0 | 0.002 | 0.014 | 11.282 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 104 | ALA | 0 | 0.026 | 0.016 | 13.113 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 105 | PHE | 0 | -0.027 | -0.008 | 12.930 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 106 | ASP | -1 | -0.775 | -0.874 | 17.844 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 107 | PHE | 0 | -0.045 | -0.019 | 18.850 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 108 | GLU | -1 | -0.838 | -0.938 | 22.439 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 109 | PHE | 0 | -0.050 | -0.013 | 22.031 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 110 | THR | 0 | 0.049 | 0.023 | 27.323 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 111 | HIS | 0 | -0.022 | -0.007 | 31.071 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 112 | VAL | 0 | -0.006 | 0.009 | 28.237 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 113 | GLU | -1 | -0.921 | -0.953 | 31.287 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 114 | LYS | 1 | 0.712 | 0.826 | 29.614 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 115 | PRO | 0 | 0.044 | 0.031 | 33.151 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 116 | TYR | 0 | -0.023 | -0.008 | 34.024 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 117 | GLU | -1 | -0.754 | -0.834 | 33.578 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 118 | SER | 0 | 0.032 | 0.011 | 28.667 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 119 | TYR | 0 | -0.073 | -0.059 | 31.058 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 120 | THR | 0 | -0.027 | -0.016 | 28.951 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 121 | GLY | 0 | -0.006 | -0.008 | 31.234 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 122 | GLN | 0 | -0.078 | -0.047 | 32.889 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 123 | ASN | 0 | -0.060 | -0.049 | 34.112 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 124 | VAL | 0 | -0.013 | 0.000 | 32.471 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 125 | LYS | 1 | 0.826 | 0.917 | 24.199 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 126 | LEU | 0 | -0.067 | -0.016 | 30.114 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 127 | ARG | 1 | 0.762 | 0.836 | 19.711 | 0.362 | 0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 128 | TYR | 0 | 0.005 | -0.030 | 25.945 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 129 | PHE | 0 | -0.036 | -0.016 | 19.668 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 130 | LEU | 0 | -0.016 | 0.005 | 19.262 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 131 | ARG | 1 | 0.856 | 0.915 | 15.527 | 0.406 | 0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 132 | ALA | 0 | -0.017 | -0.007 | 13.252 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 133 | THR | 0 | -0.016 | -0.011 | 11.910 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 134 | ILE | 0 | -0.036 | -0.017 | 6.842 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 135 | SER | 0 | 0.033 | 0.003 | 9.560 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 136 | ARG | 1 | 0.791 | 0.880 | 3.922 | 2.258 | 2.379 | -0.001 | -0.033 | -0.088 | 0.000 |
129 | A | 137 | ARG | 1 | 0.868 | 0.936 | 8.683 | 0.486 | 0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 138 | LEU | 0 | -0.014 | 0.006 | 9.489 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 139 | ASN | 0 | 0.019 | -0.001 | 7.544 | 0.327 | 0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 140 | ASP | -1 | -0.771 | -0.876 | 8.158 | -1.309 | -1.309 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 141 | VAL | 0 | -0.056 | -0.023 | 4.746 | -0.372 | -0.312 | -0.001 | -0.004 | -0.055 | 0.000 |
134 | A | 142 | VAL | 0 | 0.015 | 0.009 | 7.779 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 143 | LYS | 1 | 0.831 | 0.906 | 10.542 | 0.482 | 0.482 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 144 | GLU | -1 | -0.762 | -0.873 | 12.331 | -0.381 | -0.381 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 145 | MET | 0 | -0.036 | -0.015 | 15.713 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 146 | ASP | -1 | -0.791 | -0.859 | 18.100 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 147 | ILE | 0 | -0.062 | -0.025 | 21.656 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 148 | VAL | 0 | -0.015 | -0.010 | 24.680 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 149 | VAL | 0 | 0.025 | 0.014 | 28.190 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 150 | HIS | 0 | 0.006 | 0.002 | 31.330 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 151 | THR | 0 | 0.025 | -0.004 | 34.874 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 152 | LEU | 0 | -0.025 | -0.008 | 38.079 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 153 | SER | 0 | -0.044 | -0.022 | 41.117 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 154 | THR | 0 | 0.010 | -0.002 | 44.708 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 155 | TYR | 0 | 0.002 | -0.018 | 47.460 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 156 | PRO | 0 | 0.011 | 0.006 | 51.458 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 157 | GLU | -1 | -0.886 | -0.932 | 52.174 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 158 | LEU | 0 | -0.006 | 0.006 | 55.300 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 159 | ASN | 0 | -0.078 | -0.045 | 58.314 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 160 | SER | 0 | 0.004 | -0.007 | 60.561 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 161 | SER | 0 | -0.053 | -0.030 | 61.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 162 | ILE | 0 | -0.014 | 0.002 | 57.640 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 163 | LYS | 1 | 0.905 | 0.956 | 60.964 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 164 | MET | 0 | -0.083 | -0.014 | 57.065 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 165 | GLU | -1 | -0.821 | -0.896 | 61.974 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 166 | VAL | 0 | -0.068 | -0.028 | 61.665 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 167 | GLY | 0 | 0.033 | 0.019 | 64.117 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 168 | ILE | 0 | -0.044 | -0.025 | 67.075 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 169 | GLU | -1 | -0.897 | -0.949 | 70.609 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 170 | ASP | -1 | -0.907 | -0.956 | 73.257 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 171 | CYS | 0 | -0.077 | -0.032 | 73.231 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 172 | LEU | 0 | -0.028 | -0.008 | 67.724 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 173 | HIS | 0 | -0.043 | -0.034 | 68.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 174 | ILE | 0 | -0.005 | -0.018 | 64.683 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 175 | GLU | -1 | -0.823 | -0.925 | 65.077 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 176 | PHE | 0 | -0.025 | -0.015 | 56.643 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 177 | GLU | -1 | -0.775 | -0.845 | 62.030 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 178 | TYR | 0 | -0.046 | -0.052 | 55.633 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 179 | ASN | 0 | 0.082 | 0.045 | 56.142 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 180 | LYS | 1 | 0.834 | 0.934 | 52.363 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 181 | SER | 0 | 0.068 | 0.033 | 54.698 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 182 | LYS | 1 | 0.894 | 0.948 | 50.054 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 183 | TYR | 0 | 0.000 | -0.008 | 49.207 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 184 | HIS | 0 | 0.021 | 0.025 | 45.725 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 185 | LEU | 0 | 0.036 | -0.004 | 40.046 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 186 | LYS | 1 | 0.924 | 0.953 | 40.759 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 187 | ASP | -1 | -0.820 | -0.893 | 45.787 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 188 | VAL | 0 | -0.018 | -0.016 | 49.305 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 189 | ILE | 0 | -0.009 | -0.001 | 50.586 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 190 | VAL | 0 | -0.029 | -0.019 | 53.911 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 191 | GLY | 0 | 0.035 | 0.000 | 57.569 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 192 | LYS | 1 | 0.849 | 0.939 | 60.222 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 193 | ILE | 0 | 0.031 | 0.020 | 60.929 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 194 | TYR | 0 | -0.020 | -0.044 | 64.237 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 195 | PHE | 0 | 0.029 | -0.003 | 66.077 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 196 | LEU | 0 | 0.005 | 0.006 | 69.488 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 197 | SER | 0 | 0.002 | -0.027 | 71.716 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 198 | VAL | 0 | -0.049 | -0.009 | 71.158 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 199 | GLU | -1 | -0.813 | -0.883 | 73.353 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 200 | ILE | 0 | -0.063 | -0.021 | 71.575 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 201 | LYS | 1 | 0.883 | 0.942 | 71.556 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 202 | ILE | 0 | 0.019 | -0.001 | 65.579 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 203 | LYS | 1 | 0.866 | 0.932 | 62.691 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 204 | HIS | 0 | -0.041 | -0.040 | 57.150 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 205 | MET | 0 | 0.036 | 0.024 | 61.033 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 206 | GLU | -1 | -0.762 | -0.808 | 53.986 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 207 | ILE | 0 | 0.001 | 0.015 | 54.595 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 208 | ASH | 0 | -0.074 | -0.087 | 50.836 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 209 | ILE | 0 | -0.010 | 0.003 | 47.037 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 210 | ILE | 0 | -0.042 | -0.030 | 47.004 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 211 | LYS | 1 | 0.953 | 0.988 | 37.921 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 212 | ARG | 1 | 0.827 | 0.886 | 43.958 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 213 | GLU | -1 | -0.727 | -0.831 | 36.995 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 214 | THR | 0 | -0.022 | -0.007 | 41.276 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 215 | THR | 0 | -0.010 | -0.010 | 36.247 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 216 | GLY | 0 | 0.017 | 0.018 | 39.282 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 217 | THR | 0 | 0.007 | -0.022 | 35.226 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 218 | GLY | 0 | 0.048 | 0.031 | 37.864 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 219 | PRO | 0 | -0.058 | -0.025 | 39.267 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 220 | ASN | 0 | -0.004 | 0.005 | 40.537 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 221 | VAL | 0 | -0.006 | -0.012 | 41.458 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 222 | TYR | 0 | -0.007 | 0.005 | 39.101 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 223 | HIS | 0 | 0.006 | -0.022 | 41.714 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 224 | GLU | -1 | -0.798 | -0.884 | 39.305 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 225 | ASN | 0 | -0.085 | -0.035 | 42.106 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 226 | ASP | -1 | -0.843 | -0.915 | 40.444 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 227 | THR | 0 | -0.036 | -0.029 | 43.464 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 228 | ILE | 0 | -0.010 | 0.003 | 41.917 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 229 | ALA | 0 | 0.009 | -0.001 | 45.039 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 230 | LYS | 1 | 0.801 | 0.881 | 48.270 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 231 | TYR | 0 | -0.011 | 0.000 | 51.619 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 232 | GLU | -1 | -0.845 | -0.933 | 54.602 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 233 | ILE | 0 | -0.048 | -0.028 | 57.322 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 234 | MET | 0 | -0.031 | -0.021 | 60.118 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 235 | ASP | -1 | -0.886 | -0.941 | 63.001 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 236 | GLY | 0 | 0.022 | 0.009 | 66.272 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 237 | ALA | 0 | -0.054 | -0.029 | 69.106 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 238 | PRO | 0 | -0.031 | 0.005 | 68.160 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 239 | VAL | 0 | -0.018 | -0.013 | 71.007 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 240 | ARG | 1 | 0.931 | 0.950 | 73.528 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 241 | GLY | 0 | -0.035 | 0.003 | 73.765 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 242 | GLU | -1 | -0.872 | -0.918 | 71.008 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 243 | SER | 0 | -0.044 | -0.044 | 67.608 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 244 | ILE | 0 | 0.011 | 0.007 | 62.717 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 245 | PRO | 0 | -0.055 | -0.014 | 62.187 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 246 | ILE | 0 | 0.004 | 0.006 | 56.728 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 247 | ARG | 1 | 0.940 | 0.961 | 55.851 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 248 | LEU | 0 | 0.035 | 0.021 | 51.535 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 249 | PHE | 0 | 0.010 | 0.000 | 49.065 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 250 | LEU | 0 | 0.031 | 0.013 | 46.061 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 251 | ALA | 0 | -0.019 | -0.011 | 44.044 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 252 | GLY | 0 | -0.029 | -0.008 | 42.728 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 253 | TYR | 0 | -0.019 | -0.001 | 42.381 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 254 | GLU | -1 | -0.833 | -0.898 | 36.032 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 255 | LEU | 0 | -0.018 | -0.006 | 39.448 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 256 | THR | 0 | -0.016 | 0.003 | 36.411 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 257 | PRO | 0 | -0.015 | -0.008 | 38.269 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 258 | THR | 0 | 0.016 | -0.005 | 40.664 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 259 | MET | 0 | -0.054 | -0.009 | 35.702 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 260 | ARG | 1 | 0.937 | 0.967 | 41.115 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 261 | ASP | -1 | -0.854 | -0.924 | 42.140 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 262 | ILE | 0 | 0.062 | 0.034 | 36.064 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 263 | ASN | 0 | 0.027 | 0.018 | 34.428 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 264 | LYS | 1 | 0.838 | 0.900 | 38.281 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 265 | LYS | 1 | 0.922 | 0.975 | 34.374 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 266 | PHE | 0 | 0.044 | 0.023 | 34.591 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 267 | SER | 0 | -0.030 | -0.006 | 39.190 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 268 | VAL | 0 | -0.026 | -0.001 | 38.047 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 269 | ARG | 1 | 0.815 | 0.866 | 41.390 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 270 | TYR | 0 | 0.045 | 0.020 | 40.321 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 271 | TYR | 0 | -0.052 | -0.051 | 46.861 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 272 | LEU | 0 | 0.027 | 0.039 | 50.376 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 273 | ASN | 0 | -0.022 | -0.033 | 52.657 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 274 | LEU | 0 | 0.007 | 0.011 | 54.415 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 275 | VAL | 0 | -0.002 | -0.010 | 55.489 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 276 | LEU | 0 | 0.037 | 0.015 | 58.635 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 277 | ILE | 0 | -0.043 | -0.021 | 59.091 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 278 | ASP | -1 | -0.693 | -0.828 | 63.447 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 279 | GLU | -1 | -0.873 | -0.942 | 66.870 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 280 | GLU | -1 | -0.884 | -0.919 | 69.225 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 281 | GLU | -1 | -0.848 | -0.904 | 63.273 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 282 | ARG | 1 | 0.789 | 0.888 | 64.208 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 283 | ARG | 1 | 0.794 | 0.870 | 59.238 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 284 | TYR | 0 | -0.033 | -0.023 | 62.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 285 | PHE | 0 | 0.007 | -0.006 | 57.216 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 286 | LYS | 1 | 0.873 | 0.929 | 58.623 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 287 | GLN | 0 | 0.052 | 0.035 | 51.641 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 288 | GLN | 0 | 0.028 | 0.017 | 54.663 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 289 | GLU | -1 | -0.822 | -0.850 | 48.703 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 290 | VAL | 0 | -0.008 | 0.005 | 49.263 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 291 | VAL | 0 | -0.067 | -0.041 | 47.066 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 292 | LEU | 0 | 0.045 | 0.024 | 44.083 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 293 | TRP | 0 | -0.013 | -0.010 | 43.685 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 294 | ARG | 1 | 0.904 | 0.924 | 36.600 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 295 | LYS | 1 | 0.883 | 0.927 | 42.136 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 296 | GLY | 0 | 0.001 | 0.001 | 41.404 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 297 | ASP | -1 | -0.961 | -0.965 | 39.607 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |