FMODB ID: 76N8K
Calculation Name: 2EFK-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2EFK
Chain ID: A
UniProt ID: Q15642
Base Structure: X-ray
Registration Date: 2023-09-23
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 | 273 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -2790468.606322 |
---|---|
FMO2-HF: Nuclear repulsion | 2678499.100638 |
FMO2-HF: Total energy | -111969.505685 |
FMO2-MP2: Total energy | -112295.513487 |
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:9:GLY)
Summations of interaction energy for
fragment #1(A:9: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. |
-8.145 | -9.191 | 10.597 | -4.958 | -4.593 | -0.041 |
Interaction energy analysis for fragmet #1(A:9: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 | 11 | PHE | 0 | 0.021 | 0.021 | 2.921 | -2.474 | -0.587 | 0.061 | -0.885 | -1.062 | 0.003 |
4 | A | 12 | GLU | -1 | -0.694 | -0.848 | 1.854 | -11.526 | -14.697 | 10.538 | -4.014 | -3.353 | -0.044 |
5 | A | 13 | VAL | 0 | -0.059 | -0.018 | 4.378 | 1.123 | 1.324 | -0.001 | -0.058 | -0.142 | 0.000 |
6 | A | 14 | LEU | 0 | 0.065 | 0.042 | 6.138 | 0.556 | 0.556 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 15 | GLU | -1 | -0.885 | -0.901 | 7.542 | -1.153 | -1.153 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 16 | ARG | 1 | 0.894 | 0.940 | 5.173 | 2.034 | 2.034 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 17 | HIS | 0 | -0.022 | -0.005 | 10.170 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 18 | THR | 0 | 0.025 | -0.021 | 11.710 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 19 | GLN | 0 | -0.114 | -0.056 | 13.365 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 20 | TRP | 0 | 0.072 | 0.036 | 14.520 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 21 | GLY | 0 | 0.026 | 0.002 | 16.318 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 22 | LEU | 0 | -0.056 | -0.035 | 17.486 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 23 | ASP | -1 | -0.817 | -0.902 | 17.672 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 24 | LEU | 0 | -0.071 | -0.037 | 20.448 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 25 | LEU | 0 | 0.002 | 0.009 | 22.341 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 26 | ASP | -1 | -0.762 | -0.850 | 23.776 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 27 | ARG | 1 | 0.914 | 0.954 | 22.560 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 28 | TYR | 0 | -0.026 | -0.025 | 26.443 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 29 | VAL | 0 | 0.020 | 0.008 | 28.215 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 30 | LYS | 1 | 0.836 | 0.899 | 29.456 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 31 | PHE | 0 | 0.003 | 0.004 | 30.704 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 32 | VAL | 0 | 0.049 | 0.019 | 32.481 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 33 | LYS | 1 | 0.883 | 0.955 | 34.044 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 34 | GLU | -1 | -0.806 | -0.883 | 33.981 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 35 | ARG | 1 | 0.777 | 0.872 | 36.610 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 36 | THR | 0 | -0.039 | -0.033 | 38.131 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 37 | GLU | -1 | -0.909 | -0.970 | 38.300 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 38 | VAL | 0 | -0.013 | -0.013 | 40.781 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 39 | GLU | -1 | -0.769 | -0.831 | 42.758 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 40 | GLN | 0 | 0.008 | -0.006 | 43.907 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 41 | ALA | 0 | -0.045 | -0.015 | 45.736 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 42 | TYR | 0 | 0.026 | 0.009 | 47.121 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 43 | ALA | 0 | 0.059 | 0.031 | 48.755 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 44 | LYS | 1 | 0.980 | 0.992 | 50.273 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 45 | GLN | 0 | -0.046 | -0.018 | 50.487 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 46 | LEU | 0 | 0.028 | 0.025 | 52.101 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 47 | ARG | 1 | 0.768 | 0.849 | 53.571 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 48 | SER | 0 | -0.099 | -0.067 | 55.727 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 49 | LEU | 0 | -0.029 | -0.012 | 57.589 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 50 | VAL | 0 | 0.032 | 0.009 | 59.328 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 51 | LYS | 1 | 0.931 | 0.964 | 59.040 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 52 | LYS | 1 | 0.857 | 0.940 | 62.265 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 53 | TYR | 0 | -0.006 | -0.014 | 62.735 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 54 | LEU | 0 | 0.033 | 0.041 | 64.827 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 55 | PRO | 0 | 0.000 | -0.004 | 67.222 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 56 | LYS | 1 | 0.976 | 1.002 | 69.908 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 64 | GLU | -1 | -0.879 | -0.939 | 76.491 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 65 | SER | 0 | 0.038 | 0.002 | 75.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 66 | LYS | 1 | 0.896 | 0.958 | 77.097 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 67 | PHE | 0 | -0.047 | -0.001 | 78.339 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 68 | SER | 0 | 0.032 | -0.006 | 75.880 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 69 | GLN | 0 | -0.048 | -0.036 | 74.048 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 70 | GLN | 0 | -0.025 | -0.020 | 72.603 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 71 | GLN | 0 | -0.047 | -0.028 | 71.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 72 | SER | 0 | 0.041 | -0.003 | 70.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 73 | PHE | 0 | -0.022 | -0.001 | 66.576 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 74 | VAL | 0 | 0.004 | -0.005 | 66.984 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 75 | GLN | 0 | -0.010 | -0.008 | 66.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 76 | ILE | 0 | 0.007 | 0.005 | 62.945 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 77 | LEU | 0 | -0.027 | -0.015 | 62.371 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 78 | GLN | 0 | -0.062 | -0.044 | 61.716 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 79 | GLU | -1 | -0.770 | -0.863 | 60.078 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 80 | VAL | 0 | 0.016 | 0.009 | 57.320 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 81 | ASN | 0 | -0.040 | -0.012 | 56.674 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 82 | ASP | -1 | -0.822 | -0.904 | 56.354 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 83 | PHE | 0 | 0.028 | 0.005 | 51.047 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 84 | ALA | 0 | -0.012 | -0.012 | 52.303 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 85 | GLY | 0 | 0.015 | 0.006 | 51.416 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 86 | GLN | 0 | 0.005 | -0.004 | 50.704 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 87 | ARG | 1 | 0.740 | 0.830 | 45.014 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 88 | GLU | -1 | -0.798 | -0.877 | 46.657 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 89 | LEU | 0 | -0.005 | 0.013 | 46.581 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 90 | VAL | 0 | 0.008 | 0.015 | 42.546 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 91 | ALA | 0 | -0.012 | -0.006 | 42.375 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 92 | GLU | -1 | -0.853 | -0.945 | 41.656 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 93 | ASN | 0 | -0.032 | -0.015 | 41.764 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 94 | LEU | 0 | 0.038 | 0.029 | 37.411 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 95 | SER | 0 | 0.002 | 0.006 | 37.146 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 96 | VAL | 0 | -0.011 | -0.010 | 37.633 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 97 | ARG | 1 | 0.805 | 0.850 | 36.641 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 98 | VAL | 0 | 0.000 | 0.018 | 32.340 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 99 | CYS | 0 | -0.049 | -0.015 | 32.665 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 100 | LEU | 0 | 0.002 | 0.022 | 32.972 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 101 | GLU | -1 | -0.828 | -0.903 | 32.521 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 102 | LEU | 0 | -0.006 | -0.006 | 28.292 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 103 | THR | 0 | -0.022 | -0.017 | 28.006 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 104 | LYS | 1 | 0.833 | 0.914 | 28.311 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 105 | TYR | 0 | 0.005 | -0.028 | 23.335 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 106 | SER | 0 | 0.047 | -0.005 | 23.992 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 107 | GLN | 0 | -0.027 | -0.008 | 23.154 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 108 | GLU | -1 | -0.872 | -0.933 | 23.645 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 109 | MET | 0 | 0.002 | 0.028 | 20.446 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 110 | LYS | 1 | 0.837 | 0.904 | 19.201 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 111 | GLN | 0 | -0.006 | -0.015 | 18.857 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 112 | GLU | -1 | -0.757 | -0.850 | 18.960 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 113 | ARG | 1 | 0.916 | 0.949 | 12.158 | 0.582 | 0.582 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 114 | LYS | 1 | 0.867 | 0.946 | 14.451 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 115 | MET | 0 | -0.026 | -0.005 | 15.376 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 116 | HIS | 0 | 0.027 | 0.004 | 13.380 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 117 | PHE | 0 | 0.024 | 0.011 | 7.371 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 118 | GLN | 0 | -0.016 | -0.022 | 11.269 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 119 | GLU | -1 | -0.883 | -0.926 | 13.563 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 120 | GLY | 0 | 0.049 | 0.025 | 9.447 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 121 | ARG | 1 | 0.750 | 0.836 | 5.477 | 1.776 | 1.776 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 122 | ARG | 1 | 0.955 | 0.982 | 10.246 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 123 | ALA | 0 | 0.018 | 0.021 | 10.418 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 124 | GLN | 0 | 0.015 | 0.014 | 4.449 | 0.140 | 0.177 | -0.001 | -0.001 | -0.036 | 0.000 |
110 | A | 125 | GLN | 0 | -0.013 | -0.011 | 9.506 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 126 | GLN | 0 | -0.030 | -0.005 | 12.793 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 127 | LEU | 0 | 0.008 | 0.015 | 9.671 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 128 | GLU | -1 | -0.793 | -0.893 | 11.508 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 129 | ASN | 0 | -0.017 | -0.022 | 13.225 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 130 | GLY | 0 | 0.009 | 0.010 | 16.139 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 131 | PHE | 0 | -0.014 | -0.006 | 13.792 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 132 | LYS | 1 | 0.866 | 0.916 | 15.194 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 133 | GLN | 0 | 0.012 | 0.020 | 18.749 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 134 | LEU | 0 | -0.013 | 0.006 | 17.327 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 135 | GLU | -1 | -0.781 | -0.872 | 17.911 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 136 | ASN | 0 | -0.033 | -0.022 | 20.749 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 137 | SER | 0 | 0.013 | 0.001 | 23.398 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 138 | LYS | 1 | 0.839 | 0.907 | 19.737 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 139 | ARG | 1 | 0.838 | 0.894 | 23.419 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 140 | LYS | 1 | 0.817 | 0.912 | 26.284 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 141 | PHE | 0 | 0.079 | 0.027 | 27.455 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 142 | GLU | -1 | -0.782 | -0.857 | 27.506 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 143 | ARG | 1 | 0.886 | 0.926 | 28.546 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 144 | ASP | -1 | -0.745 | -0.871 | 32.451 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 145 | CYS | 0 | -0.019 | 0.000 | 32.560 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 146 | ARG | 1 | 0.874 | 0.927 | 30.465 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 147 | GLU | -1 | -0.889 | -0.934 | 35.940 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 148 | ALA | 0 | 0.010 | 0.010 | 38.070 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 149 | GLU | -1 | -0.896 | -0.940 | 38.608 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 150 | LYS | 1 | 0.824 | 0.891 | 38.772 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 151 | ALA | 0 | -0.009 | 0.011 | 42.194 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 152 | ALA | 0 | 0.036 | 0.013 | 43.253 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 153 | GLN | 0 | 0.028 | 0.026 | 43.112 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 154 | THR | 0 | -0.072 | -0.052 | 45.925 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 155 | ALA | 0 | 0.002 | -0.008 | 48.018 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 156 | GLU | -1 | -0.871 | -0.914 | 48.474 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 157 | ARG | 1 | 0.880 | 0.929 | 47.280 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 158 | LEU | 0 | -0.034 | -0.025 | 51.957 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 159 | ASP | -1 | -0.799 | -0.888 | 53.233 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 160 | GLN | 0 | -0.112 | -0.064 | 51.412 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 161 | ASP | -1 | -0.859 | -0.911 | 55.990 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 162 | ILE | 0 | -0.029 | -0.015 | 58.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 163 | ASN | 0 | -0.097 | -0.058 | 61.265 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 164 | ALA | 0 | 0.009 | 0.025 | 58.169 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 165 | THR | 0 | -0.039 | -0.047 | 60.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 166 | LYS | 1 | 0.988 | 0.961 | 59.275 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 167 | ALA | 0 | 0.011 | 0.019 | 58.541 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 168 | ASP | -1 | -0.823 | -0.890 | 56.288 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 169 | VAL | 0 | 0.042 | 0.029 | 54.549 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 170 | GLU | -1 | -0.858 | -0.912 | 53.547 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 171 | LYS | 1 | 0.843 | 0.914 | 52.890 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 172 | ALA | 0 | -0.009 | 0.000 | 50.239 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 173 | LYS | 1 | 0.828 | 0.892 | 48.877 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 174 | GLN | 0 | -0.032 | -0.028 | 48.481 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 175 | GLN | 0 | -0.035 | -0.008 | 44.241 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 176 | ALA | 0 | 0.016 | 0.002 | 44.491 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 177 | HIS | 0 | 0.007 | 0.004 | 43.646 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 178 | LEU | 0 | -0.007 | 0.004 | 43.354 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 179 | ARG | 1 | 0.878 | 0.916 | 36.444 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 180 | SER | 0 | 0.028 | 0.010 | 39.173 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 181 | HIS | 0 | -0.001 | 0.007 | 39.094 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 182 | MET | 0 | 0.000 | 0.019 | 37.063 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 183 | ALA | 0 | -0.016 | -0.010 | 34.869 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 184 | GLU | -1 | -0.848 | -0.910 | 34.473 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 185 | GLU | -1 | -0.912 | -0.949 | 34.264 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 186 | SER | 0 | 0.030 | 0.015 | 30.495 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 187 | LYS | 1 | 0.790 | 0.886 | 29.983 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 188 | ASN | 0 | -0.034 | -0.026 | 29.385 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 189 | GLU | -1 | -0.918 | -0.952 | 28.675 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 190 | TYR | 0 | -0.022 | -0.019 | 22.491 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 191 | ALA | 0 | 0.010 | 0.003 | 24.685 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 192 | ALA | 0 | -0.001 | 0.005 | 25.246 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 193 | GLN | 0 | 0.025 | -0.003 | 22.285 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 194 | LEU | 0 | 0.002 | 0.014 | 19.647 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 195 | GLN | 0 | 0.021 | 0.018 | 20.403 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 196 | ARG | 1 | 0.835 | 0.903 | 20.423 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 197 | PHE | 0 | 0.039 | 0.012 | 12.661 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 198 | ASN | 0 | -0.017 | -0.025 | 16.231 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 199 | ARG | 1 | 0.894 | 0.952 | 16.735 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 200 | ASP | -1 | -0.827 | -0.897 | 16.123 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 201 | GLN | 0 | -0.019 | -0.010 | 11.313 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 202 | ALA | 0 | 0.002 | 0.000 | 12.243 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 203 | HIS | 0 | 0.034 | 0.011 | 14.052 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 204 | PHE | 0 | 0.003 | -0.005 | 6.866 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 205 | TYR | 0 | -0.007 | -0.016 | 5.597 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 206 | PHE | 0 | -0.041 | -0.009 | 10.236 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 207 | SER | 0 | -0.005 | 0.001 | 13.468 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 208 | GLN | 0 | -0.026 | -0.016 | 11.802 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 209 | MET | 0 | -0.030 | -0.006 | 6.377 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 210 | PRO | 0 | 0.041 | 0.019 | 9.188 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 211 | GLN | 0 | 0.042 | 0.025 | 11.472 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 212 | ILE | 0 | -0.061 | -0.022 | 9.921 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 213 | PHE | 0 | -0.023 | -0.037 | 5.384 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 214 | ASP | -1 | -0.846 | -0.915 | 10.863 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 215 | LYS | 1 | 0.815 | 0.889 | 14.576 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 216 | LEU | 0 | -0.049 | -0.016 | 9.648 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 217 | GLN | 0 | -0.040 | -0.026 | 13.635 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 218 | ASP | -1 | -0.805 | -0.891 | 15.107 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 219 | MET | 0 | -0.026 | -0.003 | 15.730 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 220 | ASP | -1 | -0.809 | -0.887 | 15.379 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 221 | GLU | -1 | -0.834 | -0.918 | 17.531 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 222 | ARG | 1 | 0.746 | 0.846 | 20.289 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 223 | ARG | 1 | 0.782 | 0.888 | 16.630 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 224 | ALA | 0 | -0.045 | -0.026 | 20.525 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 225 | THR | 0 | 0.005 | -0.011 | 22.508 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 226 | ARG | 1 | 0.861 | 0.925 | 25.615 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 227 | LEU | 0 | -0.018 | -0.008 | 23.357 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 228 | GLY | 0 | 0.016 | 0.007 | 26.511 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 229 | ALA | 0 | 0.009 | -0.003 | 28.209 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 230 | GLY | 0 | 0.023 | 0.012 | 29.924 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 231 | TYR | 0 | -0.054 | -0.013 | 25.739 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 232 | GLY | 0 | 0.021 | 0.029 | 31.760 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 233 | LEU | 0 | 0.063 | 0.025 | 33.645 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 234 | LEU | 0 | -0.056 | -0.022 | 34.104 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 235 | SER | 0 | -0.066 | -0.042 | 36.834 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 236 | GLU | -1 | -0.893 | -0.958 | 36.948 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 237 | ALA | 0 | 0.013 | 0.005 | 40.132 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 238 | GLU | -1 | -0.814 | -0.888 | 41.653 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 239 | LEU | 0 | -0.015 | -0.021 | 41.606 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 240 | GLU | -1 | -0.814 | -0.866 | 43.276 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 241 | VAL | 0 | 0.019 | 0.015 | 46.681 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 242 | VAL | 0 | -0.030 | 0.001 | 47.443 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 243 | PRO | 0 | 0.003 | -0.006 | 50.049 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 244 | ILE | 0 | 0.002 | 0.005 | 52.638 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 245 | ILE | 0 | 0.023 | 0.004 | 49.504 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 246 | ALA | 0 | -0.011 | -0.002 | 53.690 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 247 | LYS | 1 | 0.801 | 0.887 | 55.865 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 248 | CYS | 0 | -0.034 | -0.006 | 56.452 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 249 | LEU | 0 | -0.021 | -0.011 | 54.587 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 250 | GLU | -1 | -0.774 | -0.876 | 58.833 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 251 | GLY | 0 | 0.007 | 0.011 | 61.459 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 252 | MET | 0 | -0.037 | -0.029 | 59.320 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 253 | LYS | 1 | 0.834 | 0.907 | 62.999 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 254 | VAL | 0 | -0.009 | -0.015 | 64.682 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 255 | ALA | 0 | 0.008 | 0.017 | 66.519 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 256 | ALA | 0 | -0.015 | -0.004 | 66.909 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 257 | ASN | 0 | -0.098 | -0.064 | 67.935 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 258 | ALA | 0 | -0.001 | 0.017 | 70.952 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 259 | VAL | 0 | -0.048 | -0.016 | 72.068 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 260 | ASP | -1 | -0.776 | -0.893 | 74.721 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 261 | PRO | 0 | 0.037 | 0.010 | 77.547 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 262 | LYS | 1 | 0.936 | 0.982 | 80.130 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 263 | ASN | 0 | -0.025 | -0.014 | 81.404 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 264 | ASP | -1 | -0.709 | -0.831 | 78.686 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 265 | SER | 0 | -0.032 | -0.039 | 82.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 266 | HIS | 0 | -0.050 | -0.024 | 85.290 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 267 | VAL | 0 | 0.008 | -0.011 | 83.018 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 268 | LEU | 0 | 0.010 | 0.009 | 85.024 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 269 | ILE | 0 | -0.028 | -0.021 | 86.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 270 | GLU | -1 | -0.868 | -0.909 | 88.832 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 271 | LEU | 0 | -0.016 | -0.015 | 85.734 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 272 | HIS | 0 | 0.029 | 0.018 | 86.939 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 273 | LYS | 1 | 0.804 | 0.895 | 91.972 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 274 | SER | 0 | -0.025 | -0.011 | 94.637 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 275 | GLY | 0 | 0.037 | 0.022 | 96.033 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 276 | PHE | 0 | -0.086 | -0.032 | 92.659 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 277 | ALA | 0 | 0.008 | -0.003 | 98.609 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 278 | ARG | 1 | 0.931 | 0.969 | 100.626 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 279 | PRO | 0 | -0.008 | 0.005 | 104.291 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 280 | GLY | 0 | 0.014 | -0.005 | 107.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 281 | ASP | -1 | -0.949 | -0.973 | 110.749 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 282 | VAL | 0 | -0.051 | -0.022 | 113.031 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 283 | GLU | -1 | -0.933 | -0.964 | 115.289 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 284 | PHE | 0 | -0.070 | -0.039 | 118.785 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 285 | GLU | -1 | -0.916 | -0.955 | 120.746 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 286 | ASP | -1 | -0.877 | -0.916 | 122.816 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 287 | PHE | 0 | -0.031 | -0.019 | 122.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 288 | SER | 0 | -0.136 | -0.078 | 128.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |