![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: K9LJ3
Calculation Name: 3D0C-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3D0C
Chain ID: A
UniProt ID: Q8EMJ7
Base Structure: X-ray
Registration Date: 2023-09-19
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 | 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 | 302 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4467588.05108 |
---|---|
FMO2-HF: Nuclear repulsion | 4351577.920942 |
FMO2-HF: Total energy | -116010.130137 |
FMO2-MP2: Total energy | -116353.965135 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F029228/ligand_interaction/ligand_F029228.png)
Ligand Interaction
![ligand interaction](./Kdata/F029228/ligand_interaction/ligand_interaction_F029228.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:1:LEU)
Summations of interaction energy for
fragment #1(A:1:LEU)
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. |
-5.79 | 0.846 | 3.808 | -2.841 | -7.602 | -0.019 |
Interaction energy analysis for fragmet #1(A:1:LEU)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 3 | TYR | 0 | 0.068 | 0.008 | 2.719 | -2.983 | 0.707 | 1.204 | -1.825 | -3.071 | -0.010 |
4 | A | 4 | GLY | 0 | 0.009 | 0.015 | 3.840 | 0.559 | 0.668 | 0.002 | 0.024 | -0.136 | 0.000 |
5 | A | 5 | GLU | -1 | -0.820 | -0.902 | 5.720 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | PHE | 0 | -0.013 | -0.009 | 2.605 | -2.145 | -0.496 | 2.520 | -0.847 | -3.321 | -0.009 |
7 | A | 7 | SER | 0 | -0.028 | -0.022 | 4.850 | 0.265 | 0.333 | -0.001 | -0.006 | -0.061 | 0.000 |
8 | A | 8 | LYS | 1 | 0.808 | 0.886 | 7.657 | 0.560 | 0.560 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | ARG | 1 | 0.840 | 0.916 | 4.176 | -0.313 | -0.174 | -0.001 | -0.009 | -0.129 | 0.000 |
10 | A | 10 | PHE | 0 | -0.023 | -0.021 | 7.276 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | SER | 0 | -0.076 | -0.039 | 12.130 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | THR | 0 | 0.042 | -0.007 | 14.346 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | ILE | 0 | -0.032 | -0.006 | 16.921 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | SER | 0 | -0.035 | -0.022 | 15.163 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | GLY | 0 | 0.053 | 0.020 | 16.708 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | ILE | 0 | -0.079 | -0.038 | 17.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | ASN | 0 | 0.026 | 0.011 | 19.027 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | ILE | 0 | 0.008 | 0.004 | 21.509 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | VAL | 0 | 0.014 | 0.012 | 23.352 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | PRO | 0 | -0.002 | 0.031 | 25.711 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | PHE | 0 | -0.013 | -0.012 | 28.085 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | LEU | 0 | -0.051 | -0.029 | 31.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | GLU | -1 | -0.938 | -0.980 | 35.006 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | GLY | 0 | -0.001 | 0.005 | 38.656 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | THR | 0 | -0.058 | -0.034 | 36.715 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | ARG | 1 | 0.826 | 0.913 | 34.171 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | GLU | -1 | -0.852 | -0.927 | 32.309 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | ILE | 0 | 0.011 | 0.017 | 25.750 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | ASP | -1 | -0.777 | -0.858 | 29.541 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | TRP | 0 | 0.030 | -0.002 | 22.978 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | LYS | 1 | 0.799 | 0.893 | 26.410 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | GLY | 0 | 0.037 | 0.016 | 28.130 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | LEU | 0 | -0.014 | -0.009 | 21.868 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | ASP | -1 | -0.792 | -0.874 | 23.446 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | ASP | -1 | -0.793 | -0.886 | 24.069 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | ASN | 0 | -0.016 | -0.013 | 23.891 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | VAL | 0 | 0.040 | 0.016 | 18.874 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | GLU | -1 | -0.780 | -0.861 | 21.183 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | PHE | 0 | -0.046 | -0.011 | 23.234 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | LEU | 0 | 0.000 | 0.002 | 20.283 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | LEU | 0 | -0.006 | -0.002 | 16.513 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | GLN | 0 | -0.090 | -0.038 | 20.236 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | ASN | 0 | -0.080 | -0.057 | 23.385 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | GLY | 0 | 0.017 | 0.018 | 20.425 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | ILE | 0 | -0.050 | -0.029 | 17.034 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | GLU | -1 | -0.819 | -0.879 | 13.981 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | VAL | 0 | -0.048 | -0.019 | 11.637 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | ILE | 0 | 0.005 | 0.010 | 13.235 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | VAL | 0 | -0.032 | -0.021 | 13.607 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | PRO | 0 | 0.090 | 0.055 | 14.364 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | ASN | 0 | -0.034 | -0.029 | 16.694 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | GLY | 0 | 0.058 | 0.029 | 18.925 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | ASN | 0 | -0.053 | -0.048 | 19.803 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | THR | 0 | 0.012 | 0.004 | 23.028 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | GLY | 0 | 0.029 | 0.029 | 22.608 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | GLU | -1 | -0.769 | -0.898 | 23.609 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | PHE | 0 | 0.022 | 0.020 | 20.875 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | TYR | 0 | -0.018 | -0.020 | 23.447 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | ALA | 0 | -0.015 | 0.006 | 26.666 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | LEU | 0 | -0.039 | 0.000 | 23.208 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | THR | 0 | -0.030 | -0.046 | 26.631 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | ILE | 0 | 0.007 | -0.014 | 22.913 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | GLU | -1 | -0.926 | -0.953 | 23.128 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | GLU | -1 | -0.722 | -0.826 | 23.606 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | ALA | 0 | 0.031 | 0.020 | 20.943 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | LYS | 1 | 0.849 | 0.922 | 19.010 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | GLN | 0 | -0.027 | -0.009 | 19.212 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | VAL | 0 | 0.008 | 0.001 | 19.726 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | ALA | 0 | -0.020 | -0.006 | 15.441 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | THR | 0 | -0.025 | -0.012 | 15.816 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | ARG | 1 | 0.842 | 0.895 | 16.975 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | VAL | 0 | -0.013 | -0.015 | 15.966 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | THR | 0 | -0.012 | -0.021 | 11.721 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | GLU | -1 | -0.940 | -0.980 | 14.437 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | LEU | 0 | -0.064 | -0.011 | 16.654 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | VAL | 0 | 0.009 | 0.014 | 13.343 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | ASN | 0 | -0.046 | -0.018 | 14.181 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | GLY | 0 | 0.009 | 0.001 | 10.978 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | ARG | 1 | 0.661 | 0.778 | 11.928 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | ALA | 0 | 0.021 | 0.017 | 12.914 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | THR | 0 | -0.033 | -0.001 | 7.598 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | VAL | 0 | 0.004 | 0.006 | 9.287 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | VAL | 0 | -0.058 | -0.040 | 9.100 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | ALA | 0 | 0.039 | 0.022 | 11.245 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | GLY | 0 | -0.015 | -0.005 | 13.482 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | ILE | 0 | -0.024 | -0.016 | 14.054 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | GLY | 0 | 0.052 | 0.009 | 17.495 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | TYR | 0 | 0.039 | 0.016 | 20.695 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | SER | 0 | -0.027 | -0.017 | 23.478 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | VAL | 0 | 0.075 | 0.031 | 19.722 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | ASP | -1 | -0.872 | -0.936 | 19.678 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | THR | 0 | -0.006 | 0.005 | 20.366 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | ALA | 0 | 0.007 | 0.014 | 17.825 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | ILE | 0 | 0.031 | 0.008 | 15.519 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | GLU | -1 | -0.873 | -0.916 | 15.972 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | LEU | 0 | -0.037 | -0.030 | 17.546 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | GLY | 0 | 0.024 | 0.013 | 13.633 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | LYS | 1 | 0.828 | 0.884 | 12.370 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | SER | 0 | -0.008 | 0.009 | 13.324 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | ALA | 0 | -0.006 | 0.009 | 12.722 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | ILE | 0 | -0.012 | -0.011 | 7.566 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | ASP | -1 | -0.978 | -0.980 | 10.051 | 0.313 | 0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | SER | 0 | -0.030 | -0.012 | 12.528 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | GLY | 0 | -0.014 | -0.005 | 9.505 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | ALA | 0 | -0.042 | -0.018 | 8.808 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | ASP | -1 | -0.808 | -0.886 | 4.880 | 0.441 | 0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | CYS | 0 | -0.091 | -0.036 | 4.678 | -0.402 | -0.311 | -0.001 | -0.004 | -0.085 | 0.000 |
108 | A | 108 | VAL | 0 | 0.017 | 0.017 | 7.341 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | MET | 0 | -0.005 | -0.014 | 10.948 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | ILE | 0 | -0.009 | 0.004 | 14.011 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | HIS | 0 | -0.018 | -0.027 | 16.505 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | GLN | 0 | -0.012 | -0.016 | 19.925 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | PRO | 0 | -0.011 | -0.009 | 22.278 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | VAL | 0 | 0.022 | 0.012 | 24.329 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | HIS | 0 | -0.038 | -0.014 | 25.176 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | PRO | 0 | 0.000 | 0.007 | 29.200 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | TYR | 0 | -0.047 | -0.031 | 31.467 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | ILE | 0 | 0.018 | 0.016 | 24.812 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | THR | 0 | 0.002 | -0.003 | 28.298 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | ASP | -1 | -0.752 | -0.881 | 25.867 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | ALA | 0 | 0.003 | -0.004 | 24.725 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | GLY | 0 | -0.001 | 0.006 | 24.802 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | ALA | 0 | 0.020 | 0.003 | 22.856 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | VAL | 0 | -0.001 | 0.002 | 20.391 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | GLU | -1 | -0.818 | -0.901 | 19.717 | -0.296 | -0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | TYR | 0 | -0.061 | -0.029 | 20.204 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | TYR | 0 | 0.017 | -0.013 | 16.640 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | ARG | 1 | 0.806 | 0.895 | 15.730 | 0.320 | 0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | ASN | 0 | -0.059 | -0.043 | 15.486 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | ILE | 0 | -0.019 | -0.003 | 14.614 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | ILE | 0 | 0.014 | 0.004 | 10.482 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | GLU | -1 | -0.908 | -0.968 | 11.179 | -0.556 | -0.556 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | ALA | 0 | -0.025 | -0.007 | 12.570 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | LEU | 0 | -0.018 | 0.010 | 10.347 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | ASP | -1 | -0.866 | -0.917 | 8.149 | -0.327 | -0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | ALA | 0 | 0.027 | 0.021 | 4.593 | -0.043 | 0.048 | -0.001 | -0.004 | -0.085 | 0.000 |
137 | A | 137 | PRO | 0 | 0.013 | 0.009 | 2.961 | -0.780 | -0.037 | 0.087 | -0.168 | -0.662 | 0.000 |
138 | A | 138 | SER | 0 | -0.027 | -0.026 | 5.784 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | ILE | 0 | -0.010 | 0.004 | 9.256 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | ILE | 0 | -0.014 | 0.004 | 11.825 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | TYR | 0 | -0.028 | -0.007 | 15.568 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | PHE | 0 | 0.001 | 0.004 | 18.550 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | LYS | 1 | 0.961 | 0.965 | 20.577 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | ASP | -1 | -0.845 | -0.920 | 24.153 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | ALA | 0 | 0.012 | -0.004 | 26.587 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | HIS | 0 | -0.042 | -0.014 | 29.087 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | LEU | 0 | -0.022 | 0.015 | 24.138 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | SER | 0 | 0.015 | -0.010 | 26.765 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | ASP | -1 | -0.753 | -0.847 | 23.166 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | ASP | -1 | -0.856 | -0.911 | 22.207 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | VAL | 0 | -0.037 | -0.008 | 20.356 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | ILE | 0 | 0.013 | 0.011 | 16.953 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | LYS | 1 | 0.830 | 0.894 | 17.726 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | GLU | -1 | -0.846 | -0.907 | 19.175 | -0.353 | -0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | LEU | 0 | -0.027 | -0.006 | 15.491 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | ALA | 0 | 0.005 | 0.005 | 13.977 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | PRO | 0 | -0.074 | -0.039 | 13.276 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | LEU | 0 | -0.023 | 0.005 | 11.546 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | ASP | -1 | -0.870 | -0.947 | 6.694 | -1.778 | -1.778 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | LYS | 1 | 0.782 | 0.891 | 6.066 | 0.658 | 0.658 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | LEU | 0 | -0.033 | 0.003 | 7.139 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | VAL | 0 | 0.034 | 0.005 | 4.572 | -0.016 | 0.040 | -0.001 | -0.002 | -0.052 | 0.000 |
163 | A | 163 | GLY | 0 | 0.028 | 0.009 | 8.028 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | ILE | 0 | -0.057 | -0.033 | 11.485 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | LYS | 1 | 0.895 | 0.970 | 13.482 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | TYR | 0 | -0.015 | -0.033 | 17.193 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | ALA | 0 | 0.016 | -0.001 | 20.216 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | ILE | 0 | -0.028 | 0.017 | 23.435 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | ASN | 0 | 0.013 | 0.014 | 26.240 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | ASP | -1 | -0.862 | -0.932 | 28.120 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | ILE | 0 | 0.044 | 0.008 | 27.924 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | GLN | 0 | -0.017 | 0.013 | 28.714 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | ARG | 1 | 0.810 | 0.857 | 26.007 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | VAL | 0 | 0.033 | 0.027 | 22.493 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | THR | 0 | 0.006 | -0.012 | 23.546 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | GLN | 0 | -0.089 | -0.055 | 25.266 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | VAL | 0 | -0.014 | -0.005 | 20.325 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | MET | 0 | -0.035 | 0.004 | 19.508 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | ARG | 1 | 0.902 | 0.959 | 20.930 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | ALA | 0 | -0.073 | -0.027 | 22.393 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | VAL | 0 | 0.014 | 0.015 | 15.814 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | PRO | 0 | -0.012 | 0.009 | 16.880 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | LYS | 1 | 1.015 | 0.978 | 15.154 | 0.400 | 0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | SER | 0 | -0.044 | -0.026 | 13.094 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | SER | 0 | -0.013 | -0.007 | 11.877 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | ASN | 0 | -0.029 | -0.005 | 8.173 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | VAL | 0 | 0.030 | 0.025 | 9.491 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | ALA | 0 | 0.018 | 0.009 | 10.878 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | PHE | 0 | -0.007 | -0.006 | 12.584 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | ILE | 0 | -0.007 | -0.002 | 12.685 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | CYS | 0 | -0.004 | 0.012 | 17.211 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | GLY | 0 | 0.020 | -0.003 | 20.522 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | THR | 0 | -0.079 | -0.076 | 21.101 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | ALA | 0 | 0.020 | 0.022 | 23.413 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | GLU | -1 | -0.679 | -0.793 | 24.697 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | LYS | 1 | 0.807 | 0.890 | 27.020 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | TRP | 0 | 0.000 | -0.019 | 26.666 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | ALA | 0 | 0.037 | 0.015 | 23.883 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | PRO | 0 | 0.070 | 0.035 | 25.006 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | PHE | 0 | -0.026 | -0.005 | 27.391 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | PHE | 0 | -0.014 | -0.016 | 22.115 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | TYR | 0 | 0.068 | 0.033 | 19.849 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | HIS | 0 | -0.049 | -0.014 | 23.855 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | ALA | 0 | -0.053 | -0.028 | 24.997 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | GLY | 0 | -0.041 | -0.026 | 22.337 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | ALA | 0 | -0.051 | -0.028 | 19.145 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | VAL | 0 | -0.010 | -0.013 | 14.410 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | GLY | 0 | 0.091 | 0.063 | 16.731 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | PHE | 0 | -0.089 | -0.047 | 17.730 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | THR | 0 | -0.021 | -0.005 | 18.225 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | SER | 0 | -0.002 | -0.037 | 20.103 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | GLY | 0 | 0.013 | 0.006 | 22.191 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | LEU | 0 | 0.065 | 0.034 | 24.995 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | VAL | 0 | 0.020 | 0.005 | 21.630 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | ASN | 0 | -0.033 | -0.030 | 23.756 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | VAL | 0 | -0.031 | -0.019 | 26.167 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | PHE | 0 | 0.043 | 0.014 | 28.996 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | PRO | 0 | 0.006 | 0.016 | 24.738 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | GLN | 0 | 0.020 | 0.007 | 26.153 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | LYS | 1 | 0.850 | 0.928 | 28.472 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | SER | 0 | -0.015 | -0.031 | 24.689 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | PHE | 0 | 0.015 | -0.014 | 19.857 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | ALA | 0 | 0.018 | 0.025 | 25.238 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | LEU | 0 | -0.009 | -0.002 | 26.633 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | LEU | 0 | -0.023 | -0.010 | 19.997 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | GLU | -1 | -0.845 | -0.899 | 24.103 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | ALA | 0 | -0.016 | -0.005 | 25.931 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | LEU | 0 | -0.043 | -0.027 | 24.330 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | GLU | -1 | -0.954 | -0.977 | 20.470 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | GLU | -1 | -0.903 | -0.946 | 24.379 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | GLY | 0 | -0.044 | -0.015 | 27.338 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | ASN | 0 | -0.095 | -0.055 | 28.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | GLN | 0 | 0.037 | 0.005 | 31.086 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | GLU | -1 | -0.921 | -0.957 | 33.638 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | LYS | 1 | 0.851 | 0.917 | 30.393 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | ILE | 0 | -0.018 | -0.007 | 28.994 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | TRP | 0 | -0.062 | -0.044 | 31.569 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | ASP | -1 | -0.891 | -0.940 | 34.578 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | VAL | 0 | -0.032 | -0.024 | 30.361 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | TRP | 0 | -0.060 | -0.039 | 30.490 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | GLU | -1 | -0.962 | -0.993 | 32.621 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | ASP | -1 | -0.804 | -0.872 | 34.429 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | VAL | 0 | 0.009 | 0.002 | 30.006 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | VAL | 0 | -0.023 | -0.005 | 32.904 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | PRO | 0 | 0.022 | 0.006 | 34.010 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | PHE | 0 | 0.027 | 0.016 | 29.848 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | GLU | -1 | -0.813 | -0.904 | 28.200 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | ASP | -1 | -0.809 | -0.889 | 32.032 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | LEU | 0 | -0.012 | -0.010 | 35.286 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | ARG | 1 | 0.768 | 0.864 | 26.253 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | ALA | 0 | 0.023 | 0.011 | 32.824 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | LYS | 1 | 0.735 | 0.857 | 33.849 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | HIS | 0 | -0.061 | -0.057 | 36.493 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | ASN | 0 | -0.036 | -0.019 | 34.616 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | ASN | 0 | -0.017 | -0.007 | 31.088 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | GLY | 0 | 0.001 | 0.015 | 32.540 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | ASN | 0 | -0.017 | -0.035 | 34.472 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | ASN | 0 | -0.051 | 0.005 | 28.190 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | VAL | 0 | 0.049 | 0.026 | 27.651 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | VAL | 0 | 0.019 | 0.020 | 30.109 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | ILE | 0 | 0.000 | 0.003 | 33.032 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | ILE | 0 | -0.016 | -0.004 | 27.102 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | LYS | 1 | 0.770 | 0.865 | 29.112 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | GLU | -1 | -0.749 | -0.863 | 32.363 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | ALA | 0 | 0.004 | 0.009 | 33.329 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | MET | 0 | -0.052 | -0.014 | 28.073 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | GLU | -1 | -0.753 | -0.862 | 33.221 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | GLN | 0 | -0.092 | -0.052 | 36.284 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | LEU | 0 | -0.047 | -0.019 | 34.007 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | GLY | 0 | -0.050 | -0.019 | 36.193 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | LEU | 0 | -0.068 | -0.023 | 30.205 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | ARG | 1 | 0.804 | 0.856 | 31.532 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | ALA | 0 | -0.010 | -0.015 | 30.541 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | GLY | 0 | -0.020 | -0.009 | 31.623 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | VAL | 0 | -0.017 | -0.010 | 34.390 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | THR | 0 | -0.010 | -0.019 | 31.613 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | ARG | 1 | 0.744 | 0.851 | 29.517 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | GLU | -1 | -0.818 | -0.883 | 33.458 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | PRO | 0 | -0.056 | -0.035 | 32.716 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | VAL | 0 | -0.005 | -0.007 | 32.724 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | ASN | 0 | 0.005 | 0.004 | 35.635 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | PRO | 0 | 0.010 | 0.000 | 38.055 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | LEU | 0 | 0.014 | 0.019 | 36.844 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | SER | 0 | -0.034 | -0.051 | 40.307 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | PRO | 0 | 0.004 | -0.024 | 43.641 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | ASN | 0 | 0.005 | 0.007 | 45.826 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | ASP | -1 | -0.728 | -0.804 | 40.158 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | ARG | 1 | 0.796 | 0.889 | 40.735 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | LEU | 0 | 0.018 | 0.022 | 42.285 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | GLU | -1 | -0.818 | -0.906 | 41.992 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | LEU | 0 | -0.004 | 0.007 | 36.280 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | GLU | -1 | -0.901 | -0.955 | 39.980 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | GLU | -1 | -0.961 | -0.987 | 42.295 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | LEU | 0 | -0.025 | -0.002 | 36.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | LEU | 0 | 0.012 | 0.008 | 35.877 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | LYS | 1 | 0.879 | 0.937 | 39.431 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | SER | 0 | -0.036 | -0.004 | 41.432 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | TRP | 0 | 0.006 | -0.012 | 33.150 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | ASN | 0 | 0.020 | 0.022 | 39.290 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | THR | 0 | -0.127 | -0.080 | 41.014 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | GLN | 0 | -0.074 | -0.039 | 37.544 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | GLU | -1 | -0.980 | -0.993 | 36.859 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |