![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: N9N8Q
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 | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 277 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3774801.680752 |
---|---|
FMO2-HF: Nuclear repulsion | 3669066.649329 |
FMO2-HF: Total energy | -105735.031423 |
FMO2-MP2: Total energy | -106046.477455 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F025745/ligand_interaction/ligand_F025745.png)
Ligand Interaction
![ligand interaction](./Kdata/F025745/ligand_interaction/ligand_interaction_F025745.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. |
-1.02 | 0.608 | -0.002 | -0.844 | -0.782 | 0.004 |
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 | 0.051 | 0.041 | 3.860 | -0.665 | 0.830 | -0.004 | -0.812 | -0.679 | 0.004 |
4 | A | 35 | LEU | 0 | -0.050 | -0.025 | 6.487 | 0.500 | 0.500 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 36 | VAL | 0 | 0.001 | -0.009 | 8.797 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 37 | VAL | 0 | -0.002 | -0.010 | 12.360 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 38 | THR | 0 | -0.001 | -0.014 | 15.192 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 39 | THR | 0 | -0.015 | -0.032 | 18.650 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 40 | ILE | 0 | 0.077 | 0.033 | 22.196 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 41 | GLY | 0 | 0.032 | 0.011 | 22.461 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 42 | MET | 0 | 0.049 | 0.013 | 22.912 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 43 | ILE | 0 | -0.038 | -0.006 | 20.073 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 44 | ALA | 0 | 0.029 | 0.016 | 18.683 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 45 | ASP | -1 | -0.769 | -0.865 | 18.903 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 46 | ALA | 0 | 0.044 | 0.039 | 20.973 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 47 | VAL | 0 | 0.019 | 0.009 | 14.586 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 48 | LYS | 1 | 0.830 | 0.906 | 16.475 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 49 | ASN | 0 | -0.034 | -0.031 | 17.503 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 50 | ILE | 0 | 0.006 | 0.002 | 17.406 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 51 | ALA | 0 | 0.011 | -0.005 | 12.845 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 52 | GLN | 0 | -0.035 | -0.016 | 13.041 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 53 | GLY | 0 | 0.020 | 0.013 | 11.472 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 54 | ASP | -1 | -0.802 | -0.907 | 8.847 | -0.803 | -0.803 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 55 | VAL | 0 | -0.004 | -0.009 | 7.931 | -0.498 | -0.498 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 56 | HIS | 0 | -0.024 | -0.012 | 3.751 | 0.893 | 1.026 | 0.002 | -0.032 | -0.103 | 0.000 |
26 | A | 57 | LEU | 0 | 0.001 | -0.002 | 8.871 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 58 | LYS | 1 | 0.850 | 0.947 | 12.549 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 59 | GLY | 0 | 0.006 | 0.007 | 14.999 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 60 | LEU | 0 | -0.055 | -0.040 | 18.200 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 61 | MET | 0 | -0.030 | 0.010 | 20.747 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 62 | GLY | 0 | 0.021 | 0.016 | 23.826 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 63 | PRO | 0 | 0.013 | -0.003 | 24.384 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 64 | GLY | 0 | 0.028 | 0.001 | 27.814 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 65 | VAL | 0 | -0.062 | -0.007 | 25.905 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 66 | ASP | -1 | -0.723 | -0.840 | 28.928 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 67 | PRO | 0 | 0.031 | -0.018 | 27.988 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 68 | HIS | 1 | 0.789 | 0.905 | 29.331 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 69 | LEU | 0 | -0.030 | -0.017 | 32.162 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 70 | TYR | 0 | -0.055 | -0.031 | 23.256 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 71 | THR | 0 | 0.003 | -0.008 | 27.576 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 72 | ALA | 0 | -0.040 | -0.015 | 22.285 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 73 | THR | 0 | 0.034 | -0.001 | 22.460 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 74 | ALA | 0 | 0.029 | 0.003 | 22.352 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 75 | GLY | 0 | 0.101 | 0.056 | 19.058 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 76 | ASP | -1 | -0.815 | -0.869 | 17.872 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 77 | VAL | 0 | -0.004 | -0.010 | 18.377 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 78 | GLU | -1 | -0.902 | -0.932 | 15.259 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 79 | TRP | 0 | 0.003 | -0.018 | 11.260 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 80 | LEU | 0 | -0.026 | -0.022 | 13.774 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 81 | GLY | 0 | 0.016 | 0.006 | 15.606 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 82 | ASN | 0 | -0.045 | -0.035 | 10.483 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 83 | ALA | 0 | -0.028 | 0.007 | 10.408 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 84 | ASP | -1 | -0.811 | -0.886 | 8.278 | -2.012 | -2.012 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 85 | LEU | 0 | -0.066 | -0.040 | 11.418 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 86 | ILE | 0 | 0.001 | 0.013 | 14.297 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 87 | LEU | 0 | -0.043 | -0.023 | 17.256 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 88 | TYR | 0 | 0.012 | -0.003 | 19.703 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 89 | ASN | 0 | 0.008 | -0.021 | 23.196 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 90 | GLY | 0 | 0.006 | 0.002 | 26.602 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 91 | LEU | 0 | -0.057 | -0.032 | 28.752 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 92 | HIS | 0 | -0.034 | -0.028 | 32.076 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 93 | LEU | 0 | -0.026 | 0.011 | 27.876 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 94 | GLU | -1 | -0.714 | -0.851 | 25.855 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 95 | THR | 0 | -0.006 | -0.007 | 29.076 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 96 | LYS | 1 | 0.880 | 0.951 | 30.707 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 97 | MET | 0 | -0.007 | -0.003 | 22.897 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 98 | GLY | 0 | 0.026 | 0.024 | 26.168 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 99 | GLU | -1 | -0.825 | -0.882 | 27.643 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 100 | VAL | 0 | 0.006 | -0.001 | 22.261 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 101 | PHE | 0 | 0.025 | -0.015 | 21.186 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 102 | SER | 0 | -0.056 | -0.050 | 23.303 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 103 | LYS | 1 | 0.859 | 0.912 | 24.707 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 104 | LEU | 0 | 0.021 | 0.020 | 18.312 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 105 | ARG | 1 | 0.874 | 0.934 | 19.588 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 106 | GLY | 0 | -0.021 | 0.005 | 20.902 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 107 | SER | 0 | -0.029 | -0.022 | 17.468 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 108 | ARG | 1 | 0.829 | 0.919 | 13.944 | 0.455 | 0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 109 | LEU | 0 | -0.006 | 0.011 | 14.270 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 110 | VAL | 0 | 0.031 | 0.014 | 16.990 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 111 | VAL | 0 | -0.038 | -0.023 | 19.805 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 112 | ALA | 0 | 0.052 | 0.034 | 22.094 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 113 | VAL | 0 | -0.015 | -0.013 | 22.004 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 114 | SER | 0 | 0.009 | -0.006 | 25.013 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 115 | GLU | -1 | -0.767 | -0.872 | 28.348 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 116 | THR | 0 | -0.085 | -0.053 | 26.618 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 117 | ILE | 0 | -0.005 | 0.011 | 29.775 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 118 | PRO | 0 | 0.022 | 0.008 | 32.805 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 119 | VAL | 0 | 0.050 | 0.012 | 36.004 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 120 | SER | 0 | 0.007 | 0.007 | 38.178 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 121 | GLN | 0 | -0.004 | 0.004 | 37.168 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 122 | ARG | 1 | 0.799 | 0.914 | 32.983 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 123 | LEU | 0 | -0.004 | 0.005 | 38.220 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 124 | SER | 0 | -0.042 | -0.037 | 39.700 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 125 | LEU | 0 | 0.006 | -0.004 | 40.993 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 126 | GLU | -1 | -0.877 | -0.951 | 44.370 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 127 | GLU | -1 | -0.988 | -0.988 | 45.238 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 128 | ALA | 0 | -0.042 | 0.000 | 43.720 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 129 | GLU | -1 | -0.850 | -0.904 | 37.926 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 130 | PHE | 0 | -0.018 | -0.020 | 36.806 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 131 | ASP | -1 | -0.775 | -0.885 | 37.094 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 132 | PRO | 0 | 0.042 | 0.017 | 32.699 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 133 | HIS | 1 | 0.774 | 0.906 | 32.433 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 134 | VAL | 0 | 0.004 | -0.013 | 30.880 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 135 | TRP | 0 | -0.052 | -0.007 | 29.705 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 136 | PHE | 0 | -0.015 | 0.003 | 31.699 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 137 | ASP | -1 | -0.796 | -0.895 | 34.870 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 138 | VAL | 0 | 0.009 | 0.002 | 32.074 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 139 | LYS | 1 | 0.876 | 0.934 | 32.496 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 140 | LEU | 0 | 0.026 | 0.025 | 33.449 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 141 | TRP | 0 | 0.033 | 0.024 | 25.546 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 142 | SER | 0 | 0.014 | -0.013 | 28.498 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 143 | TYR | 0 | -0.079 | -0.027 | 28.067 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 144 | SER | 0 | 0.065 | 0.038 | 26.432 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 145 | VAL | 0 | 0.000 | 0.004 | 23.739 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 146 | LYS | 1 | 0.901 | 0.954 | 23.185 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 147 | ALA | 0 | 0.032 | 0.020 | 23.392 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 148 | VAL | 0 | -0.010 | 0.007 | 18.804 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 149 | TYR | 0 | -0.018 | -0.027 | 18.859 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 150 | GLU | -1 | -0.822 | -0.899 | 18.856 | -0.398 | -0.398 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 151 | SER | 0 | -0.024 | -0.027 | 18.021 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 152 | LEU | 0 | -0.009 | -0.002 | 13.860 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 153 | CYS | 0 | -0.045 | -0.011 | 14.341 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 154 | LYS | 1 | 0.846 | 0.904 | 16.093 | 0.433 | 0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 155 | LEU | 0 | -0.018 | 0.011 | 10.191 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 156 | LEU | 0 | -0.021 | -0.008 | 8.106 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 157 | PRO | 0 | 0.071 | 0.052 | 12.155 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 158 | GLY | 0 | -0.022 | -0.012 | 13.203 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 159 | LYS | 1 | 0.810 | 0.917 | 10.812 | 0.873 | 0.873 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 160 | THR | 0 | 0.037 | -0.014 | 14.190 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 161 | ARG | 1 | 0.929 | 0.999 | 17.695 | 0.408 | 0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 162 | GLU | -1 | -0.803 | -0.906 | 14.700 | -0.536 | -0.536 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 163 | PHE | 0 | 0.009 | 0.005 | 11.959 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 164 | THR | 0 | 0.010 | -0.010 | 18.008 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 165 | GLN | 0 | -0.022 | -0.001 | 21.370 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 166 | ARG | 1 | 0.807 | 0.898 | 13.985 | 0.551 | 0.551 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 167 | TYR | 0 | -0.003 | 0.012 | 21.412 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 168 | GLN | 0 | -0.007 | -0.010 | 22.943 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 169 | ALA | 0 | -0.011 | 0.004 | 24.081 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 170 | TYR | 0 | 0.001 | -0.028 | 23.330 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 171 | GLN | 0 | -0.013 | -0.028 | 25.440 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 172 | GLN | 0 | 0.005 | 0.006 | 28.202 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 173 | GLN | 0 | -0.032 | -0.011 | 25.091 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 174 | LEU | 0 | 0.028 | 0.013 | 27.641 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 175 | ASP | -1 | -0.836 | -0.913 | 30.950 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 176 | LYS | 1 | 0.802 | 0.883 | 32.677 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 177 | LEU | 0 | 0.015 | 0.032 | 31.159 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 178 | ASP | -1 | -0.738 | -0.826 | 34.612 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 179 | ALA | 0 | 0.005 | 0.003 | 36.785 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 180 | TYR | 0 | -0.127 | -0.093 | 37.208 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 181 | VAL | 0 | 0.044 | 0.026 | 36.603 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 182 | ARG | 1 | 0.805 | 0.878 | 39.514 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 183 | ARG | 1 | 0.925 | 0.964 | 39.682 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 184 | LYS | 1 | 0.848 | 0.916 | 41.547 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 185 | ALA | 0 | 0.038 | 0.036 | 43.620 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 186 | GLN | 0 | -0.006 | -0.008 | 45.344 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 187 | SER | 0 | -0.112 | -0.058 | 46.913 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 188 | LEU | 0 | -0.011 | 0.019 | 47.560 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 189 | PRO | 0 | 0.023 | 0.006 | 50.066 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 190 | ALA | 0 | 0.058 | 0.026 | 51.983 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 191 | GLU | -1 | -0.898 | -0.960 | 52.603 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 192 | ARG | 1 | 0.822 | 0.895 | 52.051 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 193 | ARG | 1 | 0.836 | 0.928 | 48.069 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 194 | VAL | 0 | -0.042 | -0.006 | 48.310 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 195 | LEU | 0 | -0.010 | 0.010 | 42.245 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 196 | VAL | 0 | 0.017 | -0.003 | 46.281 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 197 | THR | 0 | -0.009 | -0.017 | 40.904 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 198 | ALA | 0 | 0.032 | 0.006 | 40.013 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 199 | HIS | 0 | -0.060 | -0.039 | 35.918 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 200 | ASP | -1 | -0.856 | -0.919 | 40.929 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 201 | ALA | 0 | -0.047 | -0.038 | 36.367 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 202 | PHE | 0 | -0.010 | -0.020 | 37.248 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 203 | GLY | 0 | 0.130 | 0.077 | 39.897 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 204 | TYR | 0 | -0.036 | -0.019 | 36.197 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 205 | PHE | 0 | 0.005 | 0.007 | 38.293 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 206 | SER | 0 | -0.067 | -0.048 | 40.262 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 207 | ARG | 1 | 0.851 | 0.911 | 38.616 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 208 | ALA | 0 | -0.033 | -0.003 | 39.623 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 209 | TYR | 0 | -0.066 | -0.075 | 37.355 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 210 | GLY | 0 | 0.004 | 0.026 | 43.402 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 211 | PHE | 0 | 0.003 | -0.014 | 43.508 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 212 | GLU | -1 | -0.752 | -0.847 | 46.709 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 213 | VAL | 0 | -0.023 | -0.029 | 43.225 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 214 | LYS | 1 | 0.833 | 0.907 | 46.130 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 215 | GLY | 0 | 0.030 | 0.030 | 43.752 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 216 | LEU | 0 | -0.050 | -0.023 | 44.565 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 217 | GLN | 0 | -0.028 | -0.039 | 40.386 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 218 | GLY | 0 | 0.081 | 0.032 | 43.026 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 219 | VAL | 0 | 0.018 | 0.010 | 38.047 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 220 | SER | 0 | -0.015 | -0.018 | 37.214 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 221 | THR | 0 | 0.009 | -0.034 | 35.590 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 222 | ALA | 0 | -0.075 | -0.025 | 37.301 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 223 | SER | 0 | -0.027 | -0.026 | 39.072 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 224 | GLU | -1 | -0.826 | -0.893 | 42.840 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 225 | ALA | 0 | 0.002 | 0.016 | 44.614 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 226 | SER | 0 | -0.017 | -0.036 | 47.369 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 227 | ALA | 0 | 0.022 | -0.007 | 50.747 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 228 | HIS | 1 | 0.812 | 0.881 | 53.498 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 229 | ASP | -1 | -0.745 | -0.825 | 50.255 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 230 | MET | 0 | 0.009 | 0.011 | 49.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 231 | GLN | 0 | -0.018 | -0.018 | 52.039 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 232 | GLU | -1 | -0.829 | -0.888 | 54.654 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 233 | LEU | 0 | 0.004 | 0.009 | 48.267 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 234 | ALA | 0 | 0.036 | 0.005 | 52.895 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 235 | ALA | 0 | -0.036 | -0.017 | 54.670 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 236 | PHE | 0 | 0.043 | 0.020 | 51.703 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 237 | ILE | 0 | 0.011 | 0.001 | 50.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 238 | ALA | 0 | 0.039 | 0.022 | 54.563 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 239 | GLN | 0 | -0.071 | -0.038 | 58.004 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 240 | ARG | 1 | 0.808 | 0.876 | 54.407 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 241 | LYS | 1 | 0.870 | 0.943 | 57.117 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 242 | LEU | 0 | 0.024 | 0.028 | 50.925 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 243 | PRO | 0 | 0.004 | 0.018 | 51.554 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 244 | ALA | 0 | -0.001 | -0.009 | 47.739 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 245 | ILE | 0 | -0.008 | 0.013 | 47.098 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 246 | PHE | 0 | -0.008 | -0.007 | 41.922 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 247 | ILE | 0 | 0.034 | 0.026 | 40.598 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 248 | GLU | -1 | -0.726 | -0.842 | 36.777 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 249 | SER | 0 | 0.022 | 0.002 | 32.486 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 250 | SER | 0 | -0.044 | -0.020 | 32.252 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 251 | ILE | 0 | 0.034 | 0.031 | 33.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 252 | PRO | 0 | 0.012 | -0.003 | 37.256 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 253 | HIS | 1 | 0.835 | 0.897 | 37.056 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 254 | LYS | 1 | 0.909 | 0.950 | 41.648 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 255 | ASN | 0 | 0.024 | 0.025 | 42.763 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 256 | VAL | 0 | 0.045 | 0.014 | 43.322 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 257 | GLU | -1 | -0.863 | -0.912 | 45.346 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 258 | ALA | 0 | 0.021 | 0.012 | 47.860 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 259 | LEU | 0 | -0.010 | 0.001 | 47.965 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 260 | ARG | 1 | 0.803 | 0.869 | 48.718 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 261 | ASP | -1 | -0.801 | -0.891 | 51.536 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 262 | ALA | 0 | -0.014 | 0.001 | 53.570 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 263 | VAL | 0 | -0.062 | -0.041 | 53.145 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 264 | GLN | 0 | 0.003 | -0.002 | 54.564 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 265 | ALA | 0 | -0.033 | -0.013 | 57.618 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 266 | ARG | 1 | 0.786 | 0.897 | 58.106 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 267 | GLY | 0 | -0.010 | 0.005 | 60.522 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 268 | HIS | 0 | -0.084 | -0.066 | 55.224 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 269 | VAL | 0 | 0.012 | 0.014 | 55.456 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 270 | VAL | 0 | -0.043 | 0.007 | 50.773 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 271 | GLN | 0 | -0.008 | -0.016 | 49.426 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 272 | ILE | 0 | 0.028 | 0.012 | 44.214 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 273 | GLY | 0 | -0.021 | -0.027 | 45.979 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 274 | GLY | 0 | 0.004 | -0.007 | 42.080 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 275 | GLU | -1 | -0.836 | -0.914 | 36.436 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 276 | LEU | 0 | -0.026 | 0.000 | 37.078 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 277 | PHE | 0 | 0.017 | 0.006 | 31.575 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 278 | SER | 0 | 0.015 | 0.007 | 33.683 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 279 | ASP | -1 | -0.754 | -0.908 | 30.719 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 280 | ALA | 0 | -0.018 | 0.007 | 28.067 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 281 | MET | 0 | -0.064 | -0.023 | 23.901 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 282 | GLY | 0 | 0.054 | 0.012 | 28.428 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 283 | ASP | -1 | -0.889 | -0.947 | 26.191 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 284 | ALA | 0 | -0.030 | -0.019 | 21.151 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 285 | GLY | 0 | 0.021 | 0.011 | 23.311 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 286 | THR | 0 | -0.029 | -0.016 | 24.648 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 287 | SER | 0 | 0.017 | -0.020 | 27.066 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 288 | GLU | -1 | -0.784 | -0.863 | 28.788 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 289 | GLY | 0 | 0.017 | 0.043 | 25.721 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 290 | THR | 0 | -0.085 | -0.064 | 24.187 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 291 | TYR | 0 | 0.022 | -0.032 | 25.805 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 292 | VAL | 0 | 0.006 | -0.002 | 27.492 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 293 | GLY | 0 | 0.031 | 0.029 | 29.207 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 294 | MET | 0 | -0.030 | 0.009 | 29.425 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 295 | VAL | 0 | 0.021 | 0.002 | 31.362 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 296 | THR | 0 | -0.038 | -0.036 | 33.409 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 297 | HIS | 1 | 0.834 | 0.904 | 34.348 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 298 | ASN | 0 | -0.005 | 0.002 | 34.711 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 299 | ILE | 0 | 0.002 | 0.009 | 37.509 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 300 | ASP | -1 | -0.782 | -0.866 | 39.274 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 301 | THR | 0 | -0.045 | -0.029 | 39.097 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 302 | ILE | 0 | -0.009 | 0.000 | 40.456 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 303 | VAL | 0 | 0.002 | -0.015 | 43.557 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 304 | ALA | 0 | -0.056 | -0.026 | 44.862 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 305 | ALA | 0 | -0.025 | 0.002 | 46.083 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 306 | LEU | 0 | 0.011 | 0.018 | 46.915 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 307 | ALA | 0 | 0.032 | 0.029 | 49.599 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 308 | ARG | 1 | 0.967 | 0.986 | 51.448 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |