![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: QYGZY
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 | 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 | 302 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4452336.778483 |
---|---|
FMO2-HF: Nuclear repulsion | 4336326.909332 |
FMO2-HF: Total energy | -116009.869151 |
FMO2-MP2: Total energy | -116353.767267 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F029229/ligand_interaction/ligand_F029229.png)
Ligand Interaction
![ligand interaction](./Kdata/F029229/ligand_interaction/ligand_interaction_F029229.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. |
-3.887 | 1.726 | 3.157 | -2.285 | -6.485 | -0.01 |
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 | 0.075 | 0.017 | 2.738 | -2.479 | 1.129 | 1.413 | -1.651 | -3.371 | -0.004 |
4 | A | 4 | GLY | 0 | -0.005 | 0.000 | 3.487 | 0.786 | 0.757 | 0.008 | 0.200 | -0.179 | 0.000 |
5 | A | 5 | GLU | -1 | -0.802 | -0.885 | 5.284 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | PHE | 0 | -0.005 | -0.007 | 2.455 | -1.579 | -0.073 | 1.734 | -0.754 | -2.486 | -0.006 |
7 | A | 7 | SER | 0 | -0.014 | -0.015 | 4.556 | 0.275 | 0.355 | -0.001 | -0.017 | -0.062 | 0.000 |
8 | A | 8 | LYS | 1 | 0.809 | 0.886 | 7.614 | 0.777 | 0.777 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | ARG | 1 | 0.846 | 0.911 | 4.121 | -0.070 | 0.073 | -0.001 | -0.012 | -0.129 | 0.000 |
10 | A | 10 | PHE | 0 | -0.045 | -0.033 | 7.307 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | SER | 0 | -0.076 | -0.017 | 11.963 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | THR | 0 | 0.050 | -0.008 | 14.255 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | ILE | 0 | -0.028 | -0.001 | 16.761 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | SER | 0 | -0.061 | -0.029 | 15.053 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | GLY | 0 | 0.036 | 0.006 | 16.794 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | ILE | 0 | -0.078 | -0.034 | 17.948 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | ASN | 0 | 0.017 | 0.008 | 19.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | ILE | 0 | 0.008 | 0.007 | 21.836 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | VAL | 0 | 0.024 | 0.006 | 23.578 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | PRO | 0 | -0.010 | 0.028 | 26.036 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | PHE | 0 | 0.005 | 0.000 | 28.472 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | LEU | 0 | -0.065 | -0.045 | 32.050 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | GLU | -1 | -0.947 | -0.986 | 35.167 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | GLY | 0 | 0.016 | 0.016 | 38.860 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | THR | 0 | -0.064 | -0.037 | 37.073 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | ARG | 1 | 0.857 | 0.940 | 34.694 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | GLU | -1 | -0.873 | -0.929 | 32.826 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | ILE | 0 | 0.029 | 0.018 | 26.105 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | ASP | -1 | -0.785 | -0.853 | 29.918 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | TRP | 0 | 0.031 | -0.013 | 23.486 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | LYS | 1 | 0.790 | 0.890 | 26.782 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | GLY | 0 | 0.038 | 0.010 | 28.106 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | LEU | 0 | 0.008 | 0.000 | 22.218 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | ASP | -1 | -0.770 | -0.860 | 23.431 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | ASP | -1 | -0.787 | -0.886 | 24.014 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | ASN | 0 | -0.022 | -0.009 | 24.251 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | VAL | 0 | 0.039 | 0.009 | 18.941 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | GLU | -1 | -0.786 | -0.859 | 21.053 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | PHE | 0 | -0.054 | -0.010 | 23.095 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | LEU | 0 | 0.005 | 0.002 | 20.368 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | LEU | 0 | -0.009 | 0.002 | 16.475 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | GLN | 0 | -0.092 | -0.039 | 20.203 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | ASN | 0 | -0.094 | -0.075 | 23.176 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | GLY | 0 | 0.022 | 0.020 | 20.539 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | ILE | 0 | -0.053 | -0.016 | 16.862 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | GLU | -1 | -0.808 | -0.873 | 13.754 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | VAL | 0 | -0.035 | -0.015 | 11.506 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | ILE | 0 | 0.009 | 0.012 | 13.391 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | VAL | 0 | -0.060 | -0.049 | 13.877 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | PRO | 0 | 0.053 | 0.044 | 14.568 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | ASN | 0 | -0.017 | -0.026 | 17.146 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | GLY | 0 | 0.101 | 0.059 | 19.667 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | ASN | 0 | -0.035 | -0.047 | 20.408 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | THR | 0 | -0.007 | 0.002 | 23.248 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | GLY | 0 | 0.039 | 0.027 | 23.129 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | GLU | -1 | -0.809 | -0.910 | 24.114 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | PHE | 0 | 0.020 | 0.016 | 21.409 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | TYR | 0 | -0.011 | -0.023 | 23.972 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | ALA | 0 | -0.018 | 0.014 | 27.170 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | LEU | 0 | -0.050 | -0.008 | 23.918 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | THR | 0 | -0.029 | -0.036 | 27.435 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | ILE | 0 | 0.034 | -0.007 | 23.190 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | GLU | -1 | -0.957 | -0.978 | 23.662 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | GLU | -1 | -0.731 | -0.832 | 24.440 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | ALA | 0 | 0.021 | 0.016 | 21.607 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | LYS | 1 | 0.857 | 0.911 | 19.589 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | GLN | 0 | -0.016 | 0.000 | 19.703 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | VAL | 0 | 0.015 | 0.016 | 20.200 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | ALA | 0 | -0.002 | 0.003 | 15.932 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | THR | 0 | 0.010 | 0.025 | 16.407 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | ARG | 1 | 0.834 | 0.888 | 17.495 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | VAL | 0 | -0.014 | -0.015 | 16.128 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | THR | 0 | -0.020 | -0.018 | 11.965 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | GLU | -1 | -0.929 | -0.966 | 14.505 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | LEU | 0 | -0.067 | -0.007 | 16.717 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | VAL | 0 | -0.009 | 0.003 | 13.474 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | ASN | 0 | -0.044 | -0.017 | 14.339 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | GLY | 0 | 0.011 | 0.003 | 10.980 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | ARG | 1 | 0.662 | 0.779 | 11.980 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | ALA | 0 | 0.016 | 0.013 | 12.583 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | THR | 0 | -0.034 | 0.004 | 7.527 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | VAL | 0 | -0.003 | -0.008 | 9.305 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | VAL | 0 | -0.055 | -0.037 | 9.557 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | ALA | 0 | 0.045 | 0.014 | 11.555 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | GLY | 0 | -0.008 | 0.008 | 13.860 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | ILE | 0 | -0.034 | -0.014 | 14.548 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | GLY | 0 | 0.065 | 0.009 | 18.067 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | TYR | 0 | 0.034 | 0.013 | 21.119 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | SER | 0 | -0.025 | -0.015 | 23.435 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | VAL | 0 | 0.087 | 0.030 | 20.318 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | ASP | -1 | -0.871 | -0.936 | 20.323 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | THR | 0 | -0.004 | 0.006 | 21.096 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | ALA | 0 | -0.008 | 0.014 | 18.419 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | ILE | 0 | 0.043 | 0.013 | 15.990 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | GLU | -1 | -0.872 | -0.900 | 16.460 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | LEU | 0 | -0.041 | -0.038 | 17.939 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | GLY | 0 | 0.007 | 0.002 | 14.089 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | LYS | 1 | 0.884 | 0.929 | 12.934 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | SER | 0 | -0.032 | -0.005 | 13.855 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | ALA | 0 | 0.017 | 0.010 | 13.478 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | ILE | 0 | -0.010 | -0.010 | 8.143 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | ASP | -1 | -0.975 | -0.967 | 10.566 | 0.364 | 0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | SER | 0 | -0.050 | -0.044 | 12.913 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | GLY | 0 | -0.028 | -0.015 | 10.069 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | ALA | 0 | -0.065 | -0.028 | 9.289 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | ASP | -1 | -0.789 | -0.875 | 5.317 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | CYS | 0 | -0.109 | -0.057 | 5.303 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | VAL | 0 | 0.018 | 0.031 | 7.857 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | MET | 0 | -0.011 | -0.024 | 11.475 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | ILE | 0 | -0.026 | -0.010 | 14.296 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | HIS | 0 | -0.018 | -0.028 | 16.818 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | GLN | 0 | 0.001 | -0.002 | 20.227 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | PRO | 0 | -0.009 | -0.011 | 22.296 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | VAL | 0 | 0.019 | 0.011 | 24.574 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | HIS | 0 | -0.041 | -0.016 | 25.312 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | PRO | 0 | 0.010 | 0.013 | 29.610 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | TYR | 0 | -0.059 | -0.036 | 32.001 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | ILE | 0 | 0.038 | 0.021 | 24.903 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | THR | 0 | 0.004 | 0.001 | 28.475 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | ASP | -1 | -0.741 | -0.876 | 26.298 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | ALA | 0 | -0.011 | -0.015 | 25.069 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | GLY | 0 | 0.007 | 0.008 | 25.120 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | ALA | 0 | 0.012 | 0.004 | 23.251 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | VAL | 0 | -0.005 | 0.000 | 20.269 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | GLU | -1 | -0.860 | -0.921 | 19.897 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | TYR | 0 | -0.068 | -0.028 | 20.480 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | TYR | 0 | 0.022 | -0.019 | 16.943 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | ARG | 1 | 0.825 | 0.909 | 15.755 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | ASN | 0 | -0.036 | -0.035 | 15.721 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | ILE | 0 | -0.019 | -0.002 | 14.945 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | ILE | 0 | 0.003 | -0.002 | 10.471 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | GLU | -1 | -0.926 | -0.981 | 11.379 | -0.434 | -0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | ALA | 0 | -0.039 | -0.008 | 13.109 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | LEU | 0 | -0.048 | -0.019 | 10.509 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | ASP | -1 | -0.912 | -0.950 | 8.152 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | ALA | 0 | 0.042 | 0.019 | 4.882 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | PRO | 0 | -0.001 | 0.010 | 3.714 | -0.371 | -0.066 | 0.004 | -0.051 | -0.258 | 0.000 |
138 | A | 138 | SER | 0 | -0.014 | -0.010 | 6.612 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | ILE | 0 | -0.001 | 0.012 | 9.838 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | ILE | 0 | -0.019 | -0.006 | 12.021 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | TYR | 0 | -0.015 | 0.014 | 15.709 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | PHE | 0 | 0.008 | -0.002 | 18.686 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | LYS | 1 | 0.938 | 0.960 | 21.116 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | ASP | -1 | -0.844 | -0.919 | 24.648 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | ALA | 0 | 0.010 | -0.002 | 27.110 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | HIS | 0 | -0.044 | -0.011 | 29.163 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | LEU | 0 | -0.028 | 0.013 | 24.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | SER | 0 | 0.029 | 0.004 | 27.117 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | ASP | -1 | -0.751 | -0.847 | 23.687 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | ASP | -1 | -0.874 | -0.938 | 22.623 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | VAL | 0 | -0.025 | -0.004 | 20.723 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | ILE | 0 | 0.014 | 0.009 | 17.399 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | LYS | 1 | 0.824 | 0.895 | 18.043 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | GLU | -1 | -0.873 | -0.924 | 19.028 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | LEU | 0 | -0.022 | -0.010 | 15.587 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | ALA | 0 | -0.024 | -0.005 | 14.282 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | PRO | 0 | -0.051 | -0.033 | 12.908 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | LEU | 0 | -0.024 | 0.004 | 11.391 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | ASP | -1 | -0.857 | -0.935 | 6.597 | -1.869 | -1.869 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | LYS | 1 | 0.820 | 0.915 | 6.258 | 0.470 | 0.470 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | LEU | 0 | -0.040 | 0.002 | 7.328 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | VAL | 0 | 0.071 | 0.031 | 4.929 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | GLY | 0 | 0.016 | -0.006 | 8.414 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | ILE | 0 | -0.033 | -0.015 | 11.586 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | LYS | 1 | 0.901 | 0.977 | 13.845 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | TYR | 0 | -0.015 | -0.045 | 17.414 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | ALA | 0 | 0.013 | -0.012 | 20.519 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | ILE | 0 | -0.006 | 0.024 | 23.536 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | ASN | 0 | -0.002 | 0.013 | 26.440 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | ASP | -1 | -0.833 | -0.926 | 28.057 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | ILE | 0 | 0.027 | -0.003 | 27.611 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | GLN | 0 | 0.002 | 0.014 | 28.627 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | ARG | 1 | 0.793 | 0.848 | 26.305 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | VAL | 0 | 0.015 | 0.018 | 22.703 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | THR | 0 | 0.009 | -0.008 | 23.680 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | GLN | 0 | -0.084 | -0.050 | 25.118 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | VAL | 0 | -0.005 | 0.003 | 20.648 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | MET | 0 | -0.028 | 0.001 | 19.660 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | ARG | 1 | 0.898 | 0.959 | 20.833 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | ALA | 0 | -0.079 | -0.031 | 22.756 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | VAL | 0 | 0.010 | 0.013 | 16.076 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | PRO | 0 | -0.001 | 0.017 | 16.728 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | LYS | 1 | 1.042 | 0.993 | 14.665 | 0.484 | 0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | SER | 0 | -0.058 | -0.032 | 13.062 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | SER | 0 | -0.021 | -0.013 | 11.921 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | ASN | 0 | -0.044 | -0.007 | 8.335 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | VAL | 0 | 0.034 | 0.029 | 9.479 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | ALA | 0 | 0.001 | 0.011 | 11.081 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | PHE | 0 | 0.008 | -0.009 | 12.753 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | ILE | 0 | -0.008 | -0.001 | 12.819 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | CYS | 0 | -0.006 | 0.005 | 17.204 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | GLY | 0 | 0.016 | -0.005 | 20.500 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | THR | 0 | -0.089 | -0.079 | 21.157 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | ALA | 0 | -0.008 | 0.001 | 23.350 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | GLU | -1 | -0.662 | -0.793 | 24.667 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | LYS | 1 | 0.815 | 0.904 | 27.007 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | TRP | 0 | 0.015 | -0.011 | 26.612 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | ALA | 0 | 0.039 | 0.026 | 24.084 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | PRO | 0 | 0.063 | 0.033 | 25.154 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | PHE | 0 | -0.033 | -0.011 | 27.630 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | PHE | 0 | -0.015 | -0.020 | 22.285 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | TYR | 0 | 0.072 | 0.033 | 20.030 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | HIS | 0 | -0.055 | -0.006 | 23.979 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | ALA | 0 | -0.062 | -0.036 | 25.020 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | GLY | 0 | -0.030 | -0.021 | 22.028 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | ALA | 0 | -0.054 | -0.023 | 19.221 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | VAL | 0 | -0.004 | -0.008 | 14.577 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | GLY | 0 | 0.108 | 0.067 | 16.915 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | PHE | 0 | -0.092 | -0.041 | 17.926 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | THR | 0 | 0.018 | 0.014 | 18.136 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | SER | 0 | -0.006 | -0.045 | 20.086 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | GLY | 0 | 0.016 | 0.008 | 22.393 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | LEU | 0 | 0.056 | 0.026 | 25.090 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | VAL | 0 | 0.020 | 0.013 | 21.652 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | ASN | 0 | -0.036 | -0.031 | 23.815 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | VAL | 0 | -0.046 | -0.030 | 26.197 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | PHE | 0 | 0.050 | 0.016 | 29.050 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | PRO | 0 | 0.015 | 0.016 | 24.849 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | GLN | 0 | 0.025 | 0.009 | 26.202 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | LYS | 1 | 0.879 | 0.941 | 28.475 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | SER | 0 | -0.009 | -0.027 | 24.662 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | PHE | 0 | 0.020 | -0.012 | 19.728 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | ALA | 0 | -0.005 | 0.023 | 25.155 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | LEU | 0 | -0.018 | -0.013 | 26.314 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | LEU | 0 | -0.017 | -0.008 | 19.778 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | GLU | -1 | -0.869 | -0.925 | 23.900 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | ALA | 0 | -0.009 | -0.006 | 25.438 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | LEU | 0 | -0.040 | -0.036 | 24.106 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | GLU | -1 | -0.966 | -0.980 | 19.992 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | GLU | -1 | -0.964 | -0.972 | 23.929 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | GLY | 0 | -0.057 | -0.024 | 27.267 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | ASN | 0 | -0.074 | -0.035 | 28.887 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | GLN | 0 | 0.037 | -0.009 | 30.763 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | GLU | -1 | -0.924 | -0.963 | 33.211 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | LYS | 1 | 0.943 | 0.989 | 30.492 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | ILE | 0 | -0.025 | -0.006 | 28.723 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | TRP | 0 | -0.049 | -0.038 | 31.385 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | ASP | -1 | -0.866 | -0.918 | 34.333 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | VAL | 0 | -0.054 | -0.041 | 30.049 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | TRP | 0 | -0.068 | -0.040 | 30.454 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | GLU | -1 | -0.964 | -0.991 | 32.483 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | ASP | -1 | -0.824 | -0.882 | 34.604 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | VAL | 0 | 0.008 | -0.004 | 29.966 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | VAL | 0 | -0.024 | 0.000 | 32.848 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | PRO | 0 | 0.014 | 0.004 | 34.061 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | PHE | 0 | 0.022 | 0.015 | 30.115 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | GLU | -1 | -0.824 | -0.912 | 28.462 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | ASP | -1 | -0.814 | -0.900 | 32.274 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | LEU | 0 | -0.015 | -0.005 | 35.485 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | ARG | 1 | 0.771 | 0.861 | 26.458 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | ALA | 0 | 0.017 | 0.002 | 32.939 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | LYS | 1 | 0.756 | 0.888 | 34.062 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | HIS | 0 | -0.052 | -0.048 | 36.873 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | ASN | 0 | -0.047 | -0.022 | 34.972 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | ASN | 0 | -0.032 | -0.021 | 31.335 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | GLY | 0 | -0.003 | 0.016 | 32.781 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | ASN | 0 | -0.015 | -0.019 | 34.599 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | ASN | 0 | -0.032 | 0.011 | 28.371 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | VAL | 0 | 0.070 | 0.026 | 28.045 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | VAL | 0 | 0.017 | 0.015 | 30.505 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | ILE | 0 | 0.009 | 0.011 | 33.247 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | ILE | 0 | 0.001 | -0.002 | 27.360 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | LYS | 1 | 0.785 | 0.887 | 29.428 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | GLU | -1 | -0.729 | -0.842 | 32.644 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | ALA | 0 | -0.005 | 0.006 | 33.382 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | MET | 0 | -0.013 | -0.011 | 28.231 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | GLU | -1 | -0.774 | -0.863 | 33.245 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | GLN | 0 | -0.044 | -0.014 | 36.299 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | LEU | 0 | -0.056 | -0.021 | 33.578 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | GLY | 0 | -0.060 | -0.027 | 36.212 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | LEU | 0 | -0.078 | -0.038 | 30.219 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | ARG | 1 | 0.798 | 0.858 | 31.342 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | ALA | 0 | -0.007 | -0.017 | 30.640 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | GLY | 0 | -0.010 | -0.005 | 31.918 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | VAL | 0 | -0.015 | -0.017 | 34.667 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | THR | 0 | -0.012 | -0.018 | 31.896 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | ARG | 1 | 0.747 | 0.855 | 30.230 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | GLU | -1 | -0.839 | -0.898 | 33.963 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | PRO | 0 | -0.062 | -0.038 | 33.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | VAL | 0 | 0.009 | -0.006 | 33.405 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | ASN | 0 | -0.015 | -0.004 | 36.323 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | PRO | 0 | 0.015 | 0.001 | 38.238 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | LEU | 0 | 0.021 | 0.021 | 37.140 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | SER | 0 | -0.045 | -0.049 | 40.565 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | PRO | 0 | 0.020 | -0.020 | 43.863 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | ASN | 0 | 0.016 | 0.000 | 45.934 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | ASP | -1 | -0.738 | -0.820 | 40.627 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | ARG | 1 | 0.760 | 0.864 | 41.086 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | LEU | 0 | 0.012 | 0.012 | 42.619 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | GLU | -1 | -0.825 | -0.913 | 42.177 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | LEU | 0 | -0.014 | -0.003 | 36.386 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | GLU | -1 | -0.924 | -0.965 | 40.167 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | GLU | -1 | -0.968 | -0.990 | 42.367 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | LEU | 0 | -0.037 | -0.001 | 36.528 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | LEU | 0 | 0.022 | 0.009 | 36.183 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | LYS | 1 | 0.884 | 0.946 | 39.604 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | SER | 0 | -0.038 | -0.019 | 41.573 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | TRP | 0 | 0.021 | -0.012 | 33.272 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | ASN | 0 | 0.023 | 0.031 | 39.366 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | THR | 0 | -0.099 | -0.067 | 41.112 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | GLN | 0 | -0.093 | -0.044 | 37.537 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | GLU | -1 | -1.014 | -0.997 | 36.389 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |