![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: G65R1
Calculation Name: 1K0F-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1K0F
Chain ID: A
UniProt ID: P96116
Base Structure: X-ray
Registration Date: 2023-06-22
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
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 | 277 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3794073.942675 |
---|---|
FMO2-HF: Nuclear repulsion | 3688344.12588 |
FMO2-HF: Total energy | -105729.816796 |
FMO2-MP2: Total energy | -106042.185539 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F025747/ligand_interaction/ligand_F025747.png)
Ligand Interaction
![ligand interaction](./Kdata/F025747/ligand_interaction/ligand_interaction_F025747.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:32:GLY)
Summations of interaction energy for
fragment #1(A:32:GLY)
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. |
-1.776 | -0.751 | -0.001 | -0.451 | -0.573 | 0.002 |
Interaction energy analysis for fragmet #1(A:32:GLY)
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 | 34 | PRO | 0 | 0.066 | 0.037 | 3.799 | -0.770 | 0.135 | -0.004 | -0.418 | -0.483 | 0.002 |
4 | A | 35 | LEU | 0 | -0.027 | 0.003 | 6.572 | 0.611 | 0.611 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 36 | VAL | 0 | 0.014 | 0.010 | 8.849 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 37 | VAL | 0 | -0.009 | -0.023 | 12.262 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 38 | THR | 0 | 0.029 | 0.007 | 15.103 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 39 | THR | 0 | -0.017 | -0.025 | 18.516 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 40 | ILE | 0 | 0.060 | 0.028 | 21.903 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 41 | GLY | 0 | 0.022 | 0.002 | 22.108 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 42 | MET | 0 | 0.041 | 0.023 | 22.510 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 43 | ILE | 0 | -0.003 | 0.016 | 19.762 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 44 | ALA | 0 | 0.023 | 0.011 | 18.353 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 45 | ASP | -1 | -0.827 | -0.917 | 18.652 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 46 | ALA | 0 | 0.046 | 0.022 | 20.436 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 47 | VAL | 0 | -0.007 | -0.005 | 14.756 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 48 | LYS | 1 | 0.954 | 0.973 | 15.916 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 49 | ASN | 0 | -0.039 | -0.017 | 16.653 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 50 | ILE | 0 | 0.000 | 0.030 | 16.810 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 51 | ALA | 0 | 0.039 | -0.010 | 12.309 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 52 | GLN | 0 | -0.020 | -0.024 | 12.607 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 53 | GLY | 0 | -0.028 | -0.011 | 10.815 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 54 | ASP | -1 | -0.819 | -0.916 | 8.442 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 55 | VAL | 0 | -0.014 | -0.024 | 7.711 | -0.374 | -0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 56 | HIS | 0 | -0.065 | -0.017 | 3.701 | 0.994 | 1.114 | 0.003 | -0.033 | -0.090 | 0.000 |
26 | A | 57 | LEU | 0 | -0.014 | -0.009 | 8.620 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 58 | LYS | 1 | 0.940 | 0.985 | 12.291 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 59 | GLY | 0 | -0.028 | -0.015 | 14.651 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 60 | LEU | 0 | -0.049 | -0.039 | 18.043 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 61 | MET | 0 | -0.057 | 0.007 | 20.185 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 62 | GLY | 0 | -0.006 | 0.002 | 23.615 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 63 | PRO | 0 | 0.061 | 0.006 | 24.345 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 64 | GLY | 0 | -0.004 | -0.005 | 27.562 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 65 | VAL | 0 | -0.067 | -0.002 | 26.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 66 | ASP | -1 | -0.734 | -0.838 | 29.020 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 67 | PRO | 0 | 0.008 | -0.041 | 27.682 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 68 | HIS | 1 | 0.806 | 0.935 | 29.066 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 69 | LEU | 0 | -0.011 | -0.028 | 32.015 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 70 | TYR | 0 | 0.030 | 0.028 | 23.597 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 71 | THR | 0 | -0.031 | -0.028 | 27.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 72 | ALA | 0 | -0.047 | -0.021 | 22.282 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 73 | THR | 0 | -0.013 | -0.067 | 22.711 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 74 | ALA | 0 | 0.033 | 0.007 | 22.618 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 75 | GLY | 0 | 0.097 | 0.051 | 19.056 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 76 | ASP | -1 | -0.850 | -0.853 | 18.080 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 77 | VAL | 0 | 0.009 | -0.020 | 18.240 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 78 | GLU | -1 | -0.921 | -0.946 | 15.670 | -0.405 | -0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 79 | TRP | 0 | -0.002 | -0.020 | 11.617 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 80 | LEU | 0 | -0.043 | -0.027 | 13.679 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 81 | GLY | 0 | 0.062 | 0.029 | 15.286 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 82 | ASN | 0 | -0.076 | -0.045 | 10.750 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 83 | ALA | 0 | -0.048 | -0.015 | 10.642 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 84 | ASP | -1 | -0.814 | -0.885 | 7.864 | -2.387 | -2.387 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 85 | LEU | 0 | -0.045 | -0.038 | 11.255 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 86 | ILE | 0 | -0.005 | 0.011 | 14.095 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 87 | LEU | 0 | -0.049 | -0.039 | 17.160 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 88 | TYR | 0 | 0.014 | -0.006 | 19.596 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 89 | ASN | 0 | 0.023 | 0.022 | 23.109 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 90 | GLY | 0 | 0.043 | 0.012 | 26.543 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 91 | LEU | 0 | -0.066 | -0.031 | 28.649 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 92 | HIS | 0 | 0.006 | 0.003 | 31.670 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 93 | LEU | 0 | -0.001 | 0.018 | 28.088 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 94 | GLU | -1 | -0.756 | -0.868 | 25.642 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 95 | THR | 0 | -0.015 | -0.031 | 29.054 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 96 | LYS | 1 | 0.909 | 0.985 | 30.648 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 97 | MET | 0 | 0.036 | 0.014 | 23.229 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 98 | GLY | 0 | 0.015 | 0.022 | 26.458 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 99 | GLU | -1 | -0.915 | -0.953 | 27.651 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 100 | VAL | 0 | 0.039 | 0.008 | 22.823 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 101 | PHE | 0 | 0.037 | 0.009 | 20.894 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 102 | SER | 0 | -0.083 | -0.057 | 23.507 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 103 | LYS | 1 | 0.923 | 0.956 | 24.668 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 104 | LEU | 0 | 0.054 | 0.029 | 17.671 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 105 | ARG | 1 | 0.897 | 0.963 | 19.556 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 106 | GLY | 0 | -0.022 | 0.004 | 20.907 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 107 | SER | 0 | -0.032 | -0.018 | 18.125 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 108 | ARG | 1 | 0.829 | 0.918 | 14.039 | 0.669 | 0.669 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 109 | LEU | 0 | -0.016 | 0.003 | 13.961 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 110 | VAL | 0 | 0.001 | 0.010 | 16.799 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 111 | VAL | 0 | -0.027 | -0.021 | 19.776 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 112 | ALA | 0 | 0.012 | 0.017 | 21.851 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 113 | VAL | 0 | -0.010 | -0.025 | 22.221 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 114 | SER | 0 | 0.078 | 0.021 | 24.878 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 115 | GLU | -1 | -0.925 | -0.926 | 28.290 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 116 | THR | 0 | -0.043 | -0.039 | 26.256 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 117 | ILE | 0 | -0.003 | 0.003 | 29.622 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 118 | PRO | 0 | 0.026 | 0.015 | 32.780 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 119 | VAL | 0 | 0.063 | 0.001 | 35.693 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 120 | SER | 0 | -0.006 | 0.016 | 37.386 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 121 | GLN | 0 | -0.013 | -0.019 | 37.079 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 122 | ARG | 1 | 0.822 | 0.955 | 32.695 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 123 | LEU | 0 | -0.011 | 0.013 | 38.019 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 124 | SER | 0 | 0.014 | -0.006 | 39.777 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 125 | LEU | 0 | -0.036 | -0.030 | 40.178 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 126 | GLU | -1 | -0.835 | -0.905 | 43.823 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 127 | GLU | -1 | -1.008 | -1.013 | 45.053 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 128 | ALA | 0 | -0.050 | -0.018 | 43.707 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 129 | GLU | -1 | -0.896 | -0.952 | 38.281 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 130 | PHE | 0 | 0.007 | -0.011 | 36.520 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 131 | ASP | -1 | -0.775 | -0.887 | 36.432 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 132 | PRO | 0 | 0.068 | 0.059 | 32.495 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 133 | HIS | 1 | 0.769 | 0.916 | 32.159 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 134 | VAL | 0 | 0.054 | 0.018 | 30.864 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 135 | TRP | 0 | -0.041 | -0.005 | 29.315 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 136 | PHE | 0 | 0.008 | -0.006 | 31.218 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 137 | ASP | -1 | -0.896 | -0.940 | 34.223 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 138 | VAL | 0 | 0.001 | 0.003 | 31.806 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 139 | LYS | 1 | 1.001 | 0.999 | 32.169 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 140 | LEU | 0 | -0.071 | -0.014 | 33.531 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 141 | TRP | 0 | 0.039 | 0.029 | 25.431 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 142 | SER | 0 | 0.044 | -0.014 | 28.262 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 143 | TYR | 0 | -0.097 | -0.025 | 27.766 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 144 | SER | 0 | 0.073 | 0.019 | 26.230 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 145 | VAL | 0 | 0.019 | 0.011 | 23.384 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 146 | LYS | 1 | 0.931 | 0.973 | 22.935 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 147 | ALA | 0 | -0.001 | 0.017 | 23.107 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 148 | VAL | 0 | -0.004 | -0.008 | 18.689 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 149 | TYR | 0 | -0.037 | -0.064 | 18.603 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 150 | GLU | -1 | -0.909 | -0.973 | 18.568 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 151 | SER | 0 | -0.028 | -0.009 | 17.446 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 152 | LEU | 0 | -0.017 | -0.006 | 13.601 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 153 | CYS | 0 | -0.061 | -0.014 | 13.862 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 154 | LYS | 1 | 0.916 | 0.954 | 15.002 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 155 | LEU | 0 | -0.009 | 0.006 | 10.184 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 156 | LEU | 0 | -0.061 | -0.025 | 7.819 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 157 | PRO | 0 | 0.076 | 0.055 | 11.463 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 158 | GLY | 0 | -0.019 | -0.015 | 12.569 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 159 | LYS | 1 | 0.909 | 0.966 | 9.562 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 160 | THR | 0 | 0.056 | 0.019 | 13.843 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 161 | ARG | 1 | 0.960 | 0.994 | 17.419 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 162 | GLU | -1 | -0.870 | -0.951 | 14.066 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 163 | PHE | 0 | -0.014 | 0.000 | 11.570 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 164 | THR | 0 | 0.025 | 0.029 | 17.339 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 165 | GLN | 0 | -0.041 | -0.012 | 20.955 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 166 | ARG | 1 | 0.757 | 0.890 | 13.422 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 167 | TYR | 0 | 0.038 | 0.027 | 20.687 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 168 | GLN | 0 | 0.000 | -0.012 | 22.136 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 169 | ALA | 0 | -0.007 | -0.003 | 23.701 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 170 | TYR | 0 | 0.004 | -0.017 | 22.667 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 171 | GLN | 0 | 0.058 | 0.018 | 24.777 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 172 | GLN | 0 | -0.015 | 0.013 | 27.564 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 173 | GLN | 0 | -0.064 | -0.022 | 25.245 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 174 | LEU | 0 | 0.040 | 0.030 | 27.214 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 175 | ASP | -1 | -0.872 | -0.931 | 30.325 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 176 | LYS | 1 | 0.834 | 0.896 | 32.054 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 177 | LEU | 0 | -0.002 | 0.029 | 30.761 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 178 | ASP | -1 | -0.802 | -0.910 | 34.007 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 179 | ALA | 0 | 0.007 | 0.001 | 36.058 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 180 | TYR | 0 | -0.168 | -0.129 | 36.841 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 181 | VAL | 0 | 0.076 | 0.037 | 36.165 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 182 | ARG | 1 | 0.944 | 0.984 | 39.226 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 183 | ARG | 1 | 0.918 | 0.948 | 39.445 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 184 | LYS | 1 | 0.944 | 0.967 | 40.683 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 185 | ALA | 0 | 0.037 | 0.076 | 43.009 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 186 | GLN | 0 | -0.044 | -0.029 | 44.746 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 187 | SER | 0 | -0.165 | -0.101 | 46.289 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 188 | LEU | 0 | -0.016 | -0.006 | 47.409 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 189 | PRO | 0 | 0.020 | 0.013 | 49.624 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 190 | ALA | 0 | 0.052 | 0.009 | 51.660 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 191 | GLU | -1 | -0.911 | -0.957 | 52.201 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 192 | ARG | 1 | 0.855 | 0.918 | 51.434 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 193 | ARG | 1 | 0.850 | 0.946 | 47.667 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 194 | VAL | 0 | -0.002 | 0.011 | 48.058 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 195 | LEU | 0 | -0.023 | -0.001 | 41.792 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 196 | VAL | 0 | -0.007 | 0.006 | 46.147 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 197 | THR | 0 | -0.006 | -0.016 | 41.141 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 198 | ALA | 0 | 0.019 | 0.011 | 39.668 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 199 | HIS | 0 | -0.054 | -0.037 | 35.726 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 200 | ASP | -1 | -0.891 | -0.926 | 40.401 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 201 | ALA | 0 | -0.050 | -0.029 | 36.041 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 202 | PHE | 0 | -0.003 | -0.026 | 36.984 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 203 | GLY | 0 | 0.113 | 0.075 | 39.375 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 204 | TYR | 0 | -0.059 | -0.078 | 36.602 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 205 | PHE | 0 | 0.020 | 0.027 | 38.085 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 206 | SER | 0 | -0.070 | -0.052 | 39.641 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 207 | ARG | 1 | 0.847 | 0.905 | 39.006 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 208 | ALA | 0 | -0.063 | -0.014 | 39.445 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 209 | TYR | 0 | -0.113 | -0.098 | 36.954 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 210 | GLY | 0 | -0.005 | 0.015 | 43.146 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 211 | PHE | 0 | 0.008 | -0.015 | 43.265 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 212 | GLU | -1 | -0.890 | -0.931 | 46.482 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 213 | VAL | 0 | 0.015 | -0.016 | 43.006 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 214 | LYS | 1 | 0.901 | 0.949 | 45.815 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 215 | GLY | 0 | 0.047 | 0.035 | 43.630 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 216 | LEU | 0 | -0.059 | -0.025 | 44.610 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 217 | GLN | 0 | 0.038 | 0.013 | 40.028 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 218 | GLY | 0 | 0.127 | 0.067 | 42.661 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 219 | VAL | 0 | 0.012 | 0.007 | 37.644 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 220 | SER | 0 | -0.030 | -0.029 | 37.447 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 221 | THR | 0 | -0.005 | -0.043 | 35.627 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 222 | ALA | 0 | -0.089 | -0.028 | 37.377 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 223 | SER | 0 | -0.051 | -0.062 | 39.100 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 224 | GLU | -1 | -0.925 | -0.938 | 41.980 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 225 | ALA | 0 | 0.020 | 0.014 | 44.486 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 226 | SER | 0 | -0.051 | -0.022 | 47.409 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 227 | ALA | 0 | 0.076 | 0.025 | 50.844 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 228 | HIS | 1 | 0.817 | 0.912 | 53.264 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 229 | ASP | -1 | -0.741 | -0.878 | 50.190 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 230 | MET | 0 | -0.008 | 0.015 | 48.953 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 231 | GLN | 0 | 0.002 | -0.019 | 51.785 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 232 | GLU | -1 | -0.869 | -0.927 | 54.251 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 233 | LEU | 0 | 0.020 | 0.017 | 48.216 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 234 | ALA | 0 | 0.030 | -0.006 | 52.737 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 235 | ALA | 0 | -0.006 | -0.008 | 54.360 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 236 | PHE | 0 | 0.034 | 0.025 | 50.991 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 237 | ILE | 0 | 0.004 | -0.011 | 50.243 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 238 | ALA | 0 | 0.037 | 0.015 | 54.287 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 239 | GLN | 0 | -0.089 | -0.050 | 57.674 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 240 | ARG | 1 | 0.822 | 0.908 | 54.133 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 241 | LYS | 1 | 0.909 | 0.973 | 56.874 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 242 | LEU | 0 | 0.011 | 0.017 | 50.123 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 243 | PRO | 0 | -0.041 | 0.011 | 51.040 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 244 | ALA | 0 | 0.011 | -0.022 | 47.685 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 245 | ILE | 0 | 0.005 | 0.022 | 47.022 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 246 | PHE | 0 | -0.003 | 0.008 | 41.725 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 247 | ILE | 0 | 0.008 | 0.022 | 40.108 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 248 | GLU | -1 | -0.724 | -0.877 | 36.569 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 249 | SER | 0 | 0.047 | 0.016 | 32.304 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 250 | SER | 0 | -0.013 | 0.007 | 31.893 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 251 | ILE | 0 | 0.043 | 0.034 | 33.696 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 252 | PRO | 0 | -0.016 | -0.013 | 37.190 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 253 | HIS | 1 | 0.950 | 0.971 | 37.251 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 254 | LYS | 1 | 0.955 | 0.968 | 41.628 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 255 | ASN | 0 | 0.005 | 0.019 | 42.258 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 256 | VAL | 0 | 0.068 | 0.037 | 43.391 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 257 | GLU | -1 | -0.988 | -0.998 | 45.059 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 258 | ALA | 0 | 0.046 | 0.033 | 47.630 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 259 | LEU | 0 | 0.011 | 0.014 | 47.945 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 260 | ARG | 1 | 0.809 | 0.882 | 48.561 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 261 | ASP | -1 | -0.806 | -0.885 | 51.175 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 262 | ALA | 0 | -0.007 | 0.005 | 53.370 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 263 | VAL | 0 | -0.050 | -0.035 | 52.446 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 264 | GLN | 0 | 0.107 | 0.049 | 54.303 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 265 | ALA | 0 | -0.109 | -0.042 | 57.245 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 266 | ARG | 1 | 0.792 | 0.894 | 57.342 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 267 | GLY | 0 | -0.030 | -0.008 | 60.364 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 268 | HIS | 0 | -0.083 | -0.061 | 54.217 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 269 | VAL | 0 | 0.000 | 0.005 | 54.493 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 270 | VAL | 0 | -0.034 | 0.028 | 50.212 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 271 | GLN | 0 | 0.022 | -0.009 | 48.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 272 | ILE | 0 | 0.059 | 0.040 | 43.882 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 273 | GLY | 0 | -0.025 | -0.037 | 45.462 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 274 | GLY | 0 | 0.061 | -0.001 | 41.798 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 275 | GLU | -1 | -0.896 | -0.971 | 36.551 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 276 | LEU | 0 | -0.053 | -0.013 | 37.085 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 277 | PHE | 0 | 0.010 | 0.007 | 31.340 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 278 | SER | 0 | 0.013 | -0.006 | 33.799 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 279 | ASP | -1 | -0.821 | -0.945 | 30.590 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 280 | ALA | 0 | -0.030 | -0.004 | 28.114 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 281 | MET | 0 | -0.069 | -0.014 | 23.557 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 282 | GLY | 0 | 0.068 | 0.016 | 28.074 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 283 | ASP | -1 | -0.897 | -0.942 | 25.801 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 284 | ALA | 0 | -0.024 | -0.016 | 20.893 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 285 | GLY | 0 | 0.003 | -0.002 | 23.008 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 286 | THR | 0 | -0.015 | -0.005 | 24.011 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 287 | SER | 0 | 0.032 | -0.002 | 26.691 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 288 | GLU | -1 | -0.825 | -0.907 | 28.974 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 289 | GLY | 0 | -0.047 | 0.004 | 25.778 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 290 | THR | 0 | -0.062 | -0.037 | 24.039 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 291 | TYR | 0 | 0.056 | 0.002 | 25.517 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 292 | VAL | 0 | 0.028 | -0.009 | 27.463 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 293 | GLY | 0 | 0.020 | 0.009 | 28.827 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 294 | MET | 0 | -0.023 | 0.003 | 29.315 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 295 | VAL | 0 | 0.013 | -0.013 | 31.032 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 296 | THR | 0 | -0.069 | -0.034 | 33.077 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 297 | HIS | 1 | 0.858 | 0.911 | 34.060 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 298 | ASN | 0 | 0.003 | -0.005 | 35.058 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 299 | ILE | 0 | 0.018 | 0.020 | 37.258 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 300 | ASP | -1 | -0.850 | -0.893 | 38.568 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 301 | THR | 0 | -0.027 | -0.007 | 38.965 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 302 | ILE | 0 | 0.060 | 0.012 | 40.036 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 303 | VAL | 0 | 0.008 | 0.001 | 43.254 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 304 | ALA | 0 | -0.066 | -0.016 | 44.271 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 305 | ALA | 0 | -0.060 | -0.013 | 45.274 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 306 | LEU | 0 | 0.000 | -0.004 | 46.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 307 | ALA | 0 | -0.007 | 0.006 | 49.166 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 308 | ARG | 1 | 0.939 | 0.972 | 51.118 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |