FMODB ID: 2K6QR
Calculation Name: 1A0P-A-Xray307
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1A0P
Chain ID: A
UniProt ID: P0A8P8
Base Structure: X-ray
Registration Date: 2021-09-06
Reference: C. Watanabe, S. Koyama, K. Kamisaka, D. Takaya, T. Honma et. al., Interaction energy analysis of Apo structure dataset on FMODB, To be pubulished.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 1.20200116 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 277 |
LigandCharge | |
Software | MIZUHO/ABINIT-MP 3.0 |
Total energy (hartree)
FMO2-HF: Electronic energy | -3907062.481095 |
---|---|
FMO2-HF: Nuclear repulsion | 3797416.239339 |
FMO2-HF: Total energy | -109646.241756 |
FMO2-MP2: Total energy | -109971.408335 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:3:GLN )
Summations of interaction energy for
fragment #1(A:3:GLN )
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. |
-4.863 | -1.702 | 6.574 | -3.786 | -5.948 | -0.003 |
Interaction energy analysis for fragmet #1(A:3:GLN )
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 | 5 | LEU | 0 | 0.046 | 0.011 | 2.936 | -2.654 | -0.080 | 0.014 | -1.151 | -1.436 | 0.001 |
4 | A | 6 | ALA | 0 | 0.011 | 0.016 | 2.784 | 0.282 | 1.058 | 0.253 | -0.299 | -0.730 | 0.000 |
5 | A | 7 | ARG | 1 | 0.885 | 0.957 | 2.187 | -5.836 | -6.025 | 6.307 | -2.336 | -3.782 | -0.004 |
6 | A | 8 | ILE | 0 | 0.005 | 0.005 | 5.997 | 0.640 | 0.640 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 9 | GLU | -1 | -0.828 | -0.911 | 7.663 | -0.892 | -0.892 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 10 | GLN | 0 | 0.007 | -0.003 | 7.040 | 0.407 | 0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 11 | PHE | 0 | 0.037 | 0.019 | 9.731 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 12 | LEU | 0 | -0.024 | -0.016 | 11.920 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 13 | ASP | -1 | -0.861 | -0.922 | 11.978 | -0.403 | -0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 14 | ALA | 0 | -0.040 | -0.012 | 13.842 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 15 | LEU | 0 | -0.057 | -0.036 | 15.538 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 16 | TRP | 0 | -0.018 | -0.014 | 17.171 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 17 | LEU | 0 | 0.030 | 0.017 | 17.269 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 18 | GLU | -1 | -1.035 | -1.013 | 20.082 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 19 | LYS | 1 | 0.880 | 0.919 | 22.673 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 20 | ASN | 0 | 0.002 | 0.004 | 22.744 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 21 | LEU | 0 | -0.052 | -0.008 | 20.600 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 22 | ALA | 0 | 0.085 | 0.010 | 22.608 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 23 | GLU | -1 | -0.864 | -0.931 | 19.333 | -0.336 | -0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 24 | ASN | 0 | 0.037 | 0.028 | 20.503 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 25 | THR | 0 | -0.059 | 0.002 | 20.902 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 26 | LEU | 0 | 0.061 | 0.023 | 16.836 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 27 | ASN | 0 | -0.024 | -0.010 | 16.710 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 28 | ALA | 0 | 0.003 | 0.002 | 17.084 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 29 | TYR | 0 | 0.019 | -0.014 | 15.764 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 30 | ARG | 1 | 0.904 | 0.951 | 11.577 | 0.651 | 0.651 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 31 | ARG | 1 | 0.935 | 1.000 | 12.745 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 32 | ASP | -1 | -0.916 | -0.949 | 14.619 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 33 | LEU | 0 | -0.030 | -0.022 | 11.724 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 34 | SER | 0 | -0.027 | -0.058 | 9.997 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 35 | MET | 0 | 0.009 | 0.017 | 11.031 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 36 | MET | 0 | 0.005 | 0.024 | 13.229 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 37 | VAL | 0 | 0.007 | -0.018 | 6.655 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 38 | GLU | -1 | -0.952 | -0.974 | 10.087 | -0.531 | -0.531 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 39 | TRP | 0 | -0.051 | -0.036 | 11.434 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 40 | LEU | 0 | -0.014 | -0.024 | 11.203 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 41 | HIS | 0 | -0.026 | -0.010 | 5.692 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 42 | HIS | 0 | -0.028 | 0.002 | 10.827 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 43 | ARG | 1 | 0.787 | 0.886 | 14.359 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 44 | GLY | 0 | -0.027 | -0.006 | 13.140 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 45 | LEU | 0 | -0.075 | -0.038 | 11.107 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 46 | THR | 0 | 0.027 | 0.027 | 6.499 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 47 | LEU | 0 | -0.010 | -0.024 | 6.474 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 48 | ALA | 0 | 0.001 | -0.018 | 7.655 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 49 | THR | 0 | 0.002 | 0.006 | 9.383 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 50 | ALA | 0 | -0.031 | 0.003 | 11.614 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 51 | GLN | 0 | 0.061 | 0.031 | 13.615 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 52 | SER | 0 | 0.041 | 0.011 | 17.208 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 53 | ASP | -1 | -0.915 | -0.953 | 19.998 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 54 | ASP | -1 | -0.851 | -0.907 | 16.671 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 55 | LEU | 0 | -0.050 | -0.054 | 14.891 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 56 | GLN | 0 | 0.012 | -0.005 | 18.790 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 57 | ALA | 0 | 0.019 | 0.014 | 20.723 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 58 | LEU | 0 | -0.023 | -0.006 | 15.975 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 59 | LEU | 0 | -0.044 | -0.034 | 20.252 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 60 | ALA | 0 | 0.014 | 0.017 | 22.536 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 61 | GLU | -1 | -0.923 | -0.948 | 21.027 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 62 | ARG | 1 | 0.898 | 0.931 | 23.318 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 63 | LEU | 0 | 0.021 | 0.061 | 24.747 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 64 | NME | 0 | 0.030 | 0.012 | 25.289 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 70 | ACE | 0 | 0.046 | 0.013 | 23.062 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 71 | SER | 0 | -0.020 | -0.052 | 23.494 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 72 | SER | 0 | 0.056 | 0.066 | 23.698 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 73 | ALA | 0 | 0.018 | 0.017 | 23.911 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 74 | ARG | 1 | 0.912 | 0.960 | 22.541 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 75 | LEU | 0 | 0.137 | 0.110 | 17.661 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 76 | LEU | 0 | 0.045 | 0.015 | 19.525 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 77 | SER | 0 | -0.137 | -0.106 | 20.642 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 78 | ALA | 0 | 0.032 | 0.011 | 16.495 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 79 | VAL | 0 | 0.039 | 0.011 | 15.990 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 80 | ARG | 1 | 0.913 | 0.968 | 16.754 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 81 | ARG | 1 | 0.865 | 0.944 | 17.829 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 82 | LEU | 0 | 0.021 | 0.014 | 10.374 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 83 | PHE | 0 | 0.025 | 0.008 | 12.354 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 84 | GLN | 0 | 0.030 | 0.012 | 15.086 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 85 | TYR | 0 | -0.052 | -0.030 | 10.275 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 86 | LEU | 0 | 0.034 | -0.010 | 8.241 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 87 | TYR | 0 | 0.021 | 0.059 | 12.274 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 88 | ARG | 1 | 0.881 | 0.939 | 15.388 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 89 | GLU | -1 | -0.900 | -0.934 | 11.689 | 0.541 | 0.541 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 90 | LYS | 1 | 0.888 | 0.933 | 13.109 | -0.468 | -0.468 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 91 | PHE | 0 | -0.097 | -0.048 | 5.511 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 92 | ARG | 1 | 0.834 | 0.898 | 10.251 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 93 | GLU | -1 | -0.915 | -0.952 | 12.499 | 0.547 | 0.547 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 94 | ASP | -1 | -0.805 | -0.898 | 15.795 | 0.409 | 0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 95 | ASP | -1 | -0.803 | -0.895 | 15.980 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 96 | PRO | 0 | 0.034 | 0.024 | 14.736 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 97 | SER | 0 | -0.074 | -0.092 | 17.814 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 98 | ALA | 0 | -0.038 | -0.027 | 19.563 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 99 | HIS | 0 | 0.049 | 0.005 | 22.353 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 100 | LEU | 0 | -0.046 | -0.005 | 19.846 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 101 | NME | 0 | -0.020 | 0.014 | 24.514 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 110 | ACE | 0 | 0.046 | 0.001 | 20.715 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 111 | LYS | 1 | 0.929 | 0.961 | 19.328 | -0.632 | -0.632 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 112 | ASP | -1 | -0.866 | -0.931 | 22.244 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 113 | LEU | 0 | -0.050 | -0.016 | 24.991 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 114 | SER | 0 | -0.057 | -0.025 | 25.730 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 115 | GLU | -1 | -0.875 | -0.959 | 25.663 | 0.426 | 0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 116 | ALA | 0 | 0.073 | 0.041 | 27.911 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 117 | GLN | 0 | 0.021 | 0.011 | 29.925 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 118 | VAL | 0 | 0.008 | 0.009 | 25.624 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 119 | GLU | -1 | -0.856 | -0.914 | 28.687 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 120 | ARG | 1 | 0.963 | 0.972 | 31.252 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 121 | LEU | 0 | 0.015 | 0.012 | 28.970 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 122 | LEU | 0 | -0.009 | -0.010 | 27.258 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 123 | GLN | 0 | -0.044 | -0.013 | 31.744 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 124 | ALA | 0 | -0.033 | 0.004 | 34.981 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 125 | PRO | 0 | -0.088 | -0.052 | 34.225 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 126 | LEU | 0 | 0.040 | 0.021 | 37.458 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 127 | ILE | 0 | -0.049 | -0.044 | 37.439 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 128 | ASP | -1 | -0.901 | -0.936 | 40.284 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 129 | GLN | 0 | -0.009 | -0.008 | 42.527 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 130 | PRO | 0 | 0.052 | 0.021 | 41.224 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 131 | LEU | 0 | -0.023 | -0.031 | 38.624 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 132 | GLU | -1 | -0.856 | -0.914 | 37.502 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 133 | LEU | 0 | 0.059 | 0.066 | 36.734 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 134 | ARG | 1 | 0.810 | 0.872 | 33.998 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 135 | ASP | -1 | -0.786 | -0.827 | 33.112 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 136 | LYS | 1 | 0.873 | 0.924 | 32.145 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 137 | ALA | 0 | 0.016 | 0.012 | 31.341 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 138 | MET | 0 | -0.067 | -0.027 | 28.704 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 139 | LEU | 0 | 0.005 | -0.011 | 27.254 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 140 | GLU | -1 | -0.788 | -0.891 | 26.740 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 141 | VAL | 0 | 0.006 | 0.020 | 24.192 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 142 | LEU | 0 | -0.108 | -0.047 | 22.889 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 143 | TYR | 0 | -0.011 | -0.027 | 21.890 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 144 | ALA | 0 | 0.079 | 0.048 | 21.740 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 145 | THR | 0 | -0.047 | -0.039 | 19.441 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 146 | GLY | 0 | 0.020 | 0.001 | 17.490 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 147 | LEU | 0 | -0.035 | -0.003 | 17.980 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 148 | ARG | 1 | 0.908 | 0.946 | 14.612 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 149 | VAL | 0 | 0.055 | 0.025 | 20.757 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 150 | SER | 0 | -0.060 | -0.060 | 22.217 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 151 | GLU | -1 | -0.797 | -0.886 | 18.119 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 152 | LEU | 0 | -0.039 | -0.014 | 22.777 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 153 | VAL | 0 | -0.084 | -0.044 | 25.536 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 154 | GLY | 0 | 0.045 | 0.029 | 26.798 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 155 | LEU | 0 | -0.070 | -0.008 | 24.220 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 156 | THR | 0 | -0.021 | -0.051 | 27.618 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 157 | MET | 0 | -0.066 | -0.044 | 30.209 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 158 | SER | 0 | 0.011 | 0.007 | 30.496 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 159 | ASP | -1 | -0.864 | -0.865 | 25.868 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 160 | ILE | 0 | 0.020 | 0.003 | 26.475 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 161 | SER | 0 | 0.026 | 0.015 | 28.135 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 162 | LEU | 0 | 0.063 | 0.031 | 28.563 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 163 | ARG | 1 | 0.985 | 1.002 | 30.405 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 164 | GLN | 0 | -0.072 | -0.039 | 26.011 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 165 | GLY | 0 | 0.091 | 0.054 | 26.470 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 166 | VAL | 0 | -0.061 | -0.046 | 22.739 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 167 | VAL | 0 | 0.005 | 0.008 | 22.377 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 168 | ARG | 1 | 0.860 | 0.925 | 22.142 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 169 | VAL | 0 | -0.043 | -0.025 | 18.909 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 170 | ILE | 0 | 0.010 | 0.009 | 19.639 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 171 | GLY | 0 | 0.010 | -0.007 | 17.610 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 172 | LYS | 1 | 0.860 | 0.942 | 13.168 | 0.525 | 0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 173 | GLY | 0 | -0.022 | -0.025 | 17.034 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 174 | ASN | 0 | 0.031 | 0.000 | 19.631 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 175 | LYS | 1 | 0.912 | 0.985 | 13.507 | 0.573 | 0.573 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 176 | GLU | -1 | -0.848 | -0.929 | 18.306 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 177 | ARG | 1 | 0.894 | 0.946 | 14.713 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 178 | LEU | 0 | 0.017 | 0.019 | 18.309 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 179 | VAL | 0 | -0.051 | -0.020 | 17.563 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 180 | PRO | 0 | 0.067 | 0.017 | 18.242 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 181 | LEU | 0 | -0.070 | -0.031 | 20.921 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 182 | GLY | 0 | 0.025 | 0.014 | 23.610 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 183 | GLU | -1 | -0.858 | -0.949 | 24.528 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 184 | GLU | -1 | -0.904 | -0.947 | 27.626 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 185 | ALA | 0 | -0.014 | 0.001 | 26.081 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 186 | VAL | 0 | -0.007 | -0.005 | 27.528 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 187 | TYR | 0 | 0.080 | 0.055 | 29.725 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 188 | TRP | 0 | 0.021 | -0.005 | 30.697 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 189 | LEU | 0 | -0.049 | -0.041 | 28.365 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 190 | GLU | -1 | -0.920 | -0.968 | 32.446 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 191 | THR | 0 | -0.002 | 0.018 | 35.234 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 192 | TYR | 0 | -0.050 | -0.066 | 33.871 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 193 | LEU | 0 | -0.078 | -0.056 | 33.672 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 194 | GLU | -1 | -0.921 | -0.950 | 37.597 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 195 | HIS | 0 | 0.010 | -0.003 | 40.377 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 196 | GLY | 0 | 0.000 | -0.022 | 39.278 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 197 | ARG | 1 | 0.802 | 0.921 | 35.831 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 198 | PRO | 0 | 0.033 | -0.001 | 39.152 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 199 | TRP | 0 | 0.009 | 0.016 | 42.564 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 200 | LEU | 0 | -0.080 | -0.037 | 38.360 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 201 | LEU | 0 | -0.074 | -0.037 | 39.241 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 202 | ASN | 0 | -0.005 | 0.004 | 43.042 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 203 | GLY | 0 | 0.005 | 0.005 | 45.850 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 204 | VAL | 0 | 0.005 | 0.020 | 42.478 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 205 | SER | 0 | -0.037 | -0.031 | 41.506 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 206 | ILE | 0 | -0.017 | -0.018 | 36.873 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 207 | ASP | -1 | -0.858 | -0.926 | 33.741 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 208 | VAL | 0 | 0.054 | 0.031 | 32.826 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 209 | LEU | 0 | 0.044 | 0.035 | 29.055 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 210 | PHE | 0 | 0.030 | 0.020 | 28.254 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 211 | PRO | 0 | 0.004 | 0.024 | 33.359 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 212 | SER | 0 | -0.044 | -0.049 | 36.209 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 213 | GLN | 0 | 0.070 | 0.029 | 38.064 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 214 | ARG | 1 | 0.915 | 0.972 | 41.369 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 215 | ALA | 0 | 0.051 | 0.027 | 40.272 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 216 | GLN | 0 | 0.006 | -0.007 | 38.319 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 217 | GLN | 0 | 0.043 | 0.028 | 30.533 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 218 | MET | 0 | -0.019 | 0.018 | 32.227 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 219 | THR | 0 | 0.064 | 0.024 | 30.656 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 220 | ARG | 1 | 1.009 | 0.984 | 25.093 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 221 | GLN | 0 | -0.005 | -0.010 | 28.542 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 222 | THR | 0 | -0.045 | -0.020 | 31.286 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 223 | PHE | 0 | 0.075 | 0.010 | 28.450 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 224 | TRP | 0 | 0.001 | 0.014 | 25.925 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 225 | HIS | 0 | -0.012 | -0.004 | 30.831 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 226 | ARG | 1 | 0.867 | 0.912 | 33.453 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 227 | ILE | 0 | 0.025 | 0.029 | 27.655 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 228 | LYS | 1 | 0.924 | 0.963 | 31.775 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 229 | HIS | 0 | -0.012 | 0.024 | 33.730 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 230 | TYR | 0 | 0.041 | -0.014 | 33.220 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 231 | ALA | 0 | -0.010 | -0.017 | 31.684 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 232 | VAL | 0 | -0.027 | -0.022 | 33.416 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 233 | LEU | 0 | -0.006 | 0.003 | 36.801 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 234 | ALA | 0 | -0.016 | 0.004 | 33.869 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 235 | GLY | 0 | -0.036 | -0.021 | 35.395 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 236 | ILE | 0 | -0.082 | -0.041 | 30.222 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 237 | ASP | -1 | -0.851 | -0.933 | 32.321 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 238 | SER | 0 | 0.000 | -0.011 | 32.088 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 239 | GLU | -1 | -0.986 | -1.007 | 32.217 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 240 | LYS | 1 | 0.937 | 0.980 | 30.093 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 241 | LEU | 0 | 0.017 | 0.042 | 26.381 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 242 | SER | 0 | 0.000 | -0.010 | 23.058 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 243 | PRO | 0 | 0.035 | 0.000 | 22.108 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 244 | HIS | 0 | -0.001 | 0.014 | 18.591 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 245 | VAL | 0 | 0.020 | 0.034 | 19.663 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 246 | LEU | 0 | 0.026 | 0.027 | 21.898 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 247 | ARG | 1 | 0.818 | 0.883 | 14.094 | -0.394 | -0.394 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 248 | HIS | 0 | -0.028 | -0.035 | 15.054 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 249 | ALA | 0 | 0.021 | -0.003 | 18.595 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 250 | PHE | 0 | 0.015 | -0.006 | 21.456 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 251 | ALA | 0 | 0.026 | 0.015 | 16.536 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 252 | THR | 0 | -0.024 | -0.011 | 18.013 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 253 | HIS | 0 | -0.042 | -0.012 | 19.618 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 254 | LEU | 0 | 0.025 | 0.011 | 18.418 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 255 | LEU | 0 | -0.026 | -0.013 | 15.241 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 256 | ASN | 0 | -0.024 | -0.012 | 19.147 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 257 | HIS | 1 | 0.848 | 0.932 | 21.796 | -0.458 | -0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 258 | GLY | 0 | -0.026 | -0.003 | 22.729 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 259 | ALA | 0 | -0.004 | 0.008 | 23.703 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 260 | ASP | -1 | -0.816 | -0.913 | 21.150 | 0.475 | 0.475 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 261 | LEU | 0 | 0.007 | 0.011 | 18.390 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 262 | ARG | 1 | 0.991 | 0.982 | 19.524 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 263 | VAL | 0 | -0.029 | -0.004 | 17.918 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 264 | VAL | 0 | 0.025 | 0.011 | 14.417 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 265 | GLN | 0 | 0.050 | 0.022 | 14.469 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 266 | MET | 0 | -0.052 | -0.017 | 16.478 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 267 | LEU | 0 | 0.002 | -0.014 | 12.233 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 268 | LEU | 0 | -0.061 | -0.012 | 10.266 | 0.383 | 0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 269 | GLY | 0 | 0.022 | 0.014 | 11.951 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 270 | HIS | 0 | -0.030 | -0.009 | 14.042 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 271 | SER | 0 | -0.025 | -0.024 | 9.890 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 272 | ASP | -1 | -0.900 | -0.943 | 11.705 | 1.048 | 1.048 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 273 | LEU | 0 | -0.033 | -0.002 | 11.466 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 274 | SER | 0 | 0.046 | 0.023 | 9.330 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 275 | THR | 0 | -0.013 | -0.026 | 11.424 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 276 | THR | 0 | -0.046 | -0.048 | 9.184 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 277 | GLN | 0 | -0.003 | -0.002 | 6.797 | -0.426 | -0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 278 | ILE | 0 | 0.028 | 0.030 | 9.298 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 279 | TYR | 0 | -0.008 | -0.015 | 12.735 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 280 | THR | 0 | -0.070 | -0.007 | 7.852 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 281 | HIS | 0 | 0.006 | -0.005 | 8.540 | 0.455 | 0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 282 | VAL | 0 | 0.006 | 0.023 | 11.766 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 283 | ALA | 0 | -0.002 | -0.008 | 14.029 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 284 | THR | 0 | -0.028 | -0.024 | 11.737 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 285 | GLU | -1 | -0.813 | -0.913 | 14.029 | 0.498 | 0.498 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 286 | ARG | 1 | 0.801 | 0.899 | 16.586 | -0.523 | -0.523 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 287 | LEU | 0 | 0.011 | -0.001 | 17.155 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 288 | ARG | 1 | 0.822 | 0.922 | 17.218 | -0.461 | -0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 289 | GLN | 0 | -0.135 | -0.090 | 19.058 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 290 | LEU | 0 | 0.010 | 0.007 | 22.079 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 291 | HIS | 0 | -0.080 | -0.032 | 19.595 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 292 | GLN | -1 | -0.951 | -0.955 | 23.447 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |