FMODB ID: VQGJ1
Calculation Name: 2O6X-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2O6X
Chain ID: A
UniProt ID: Q24940
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 | 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 | 308 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4767853.095234 |
---|---|
FMO2-HF: Nuclear repulsion | 4642282.090777 |
FMO2-HF: Total energy | -125571.004456 |
FMO2-MP2: Total energy | -125930.287775 |
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:8:ASN)
Summations of interaction energy for
fragment #1(A:8:ASN)
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. |
-35.496 | -32.544 | 17.604 | -9.3 | -11.257 | -0.084 |
Interaction energy analysis for fragmet #1(A:8:ASN)
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 | 10 | ASP | -1 | -0.946 | -0.965 | 3.853 | 0.225 | 1.660 | -0.004 | -0.522 | -0.910 | 0.002 |
4 | A | 11 | LEU | 0 | 0.005 | 0.005 | 2.897 | -2.657 | -1.285 | 0.234 | -0.436 | -1.171 | 0.001 |
5 | A | 12 | TRP | 0 | 0.017 | 0.009 | 3.849 | -0.775 | -0.284 | 0.001 | -0.231 | -0.260 | 0.000 |
6 | A | 13 | HIS | 0 | -0.042 | -0.035 | 5.142 | 0.243 | 0.355 | -0.001 | -0.004 | -0.106 | 0.000 |
7 | A | 14 | GLN | 0 | 0.017 | 0.015 | 7.680 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 15 | TRP | 0 | -0.025 | -0.025 | 7.531 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 16 | LYS | 1 | 0.877 | 0.942 | 9.056 | 1.248 | 1.248 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 17 | ARG | 1 | 0.921 | 0.973 | 10.038 | -0.434 | -0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 18 | MET | 0 | -0.057 | -0.014 | 12.489 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 19 | TYR | 0 | -0.019 | -0.034 | 12.208 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 20 | ASN | 0 | -0.014 | 0.008 | 15.223 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 21 | LYS | 1 | 0.825 | 0.941 | 12.911 | 0.817 | 0.817 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 22 | GLU | -1 | -0.938 | -0.972 | 14.444 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 23 | TYR | 0 | -0.085 | -0.101 | 11.252 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 24 | ASN | 0 | 0.053 | 0.035 | 16.234 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 25 | GLY | 0 | 0.016 | -0.012 | 16.633 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 26 | ALA | 0 | -0.055 | -0.027 | 17.050 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 27 | ASP | -1 | -0.869 | -0.933 | 16.255 | -0.921 | -0.921 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 28 | ASP | -1 | -0.831 | -0.917 | 10.769 | -1.840 | -1.840 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 29 | GLN | 0 | 0.024 | 0.002 | 8.301 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 30 | HIS | 0 | -0.016 | -0.014 | 10.903 | -0.524 | -0.524 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 31 | ARG | 1 | 0.800 | 0.884 | 11.630 | 1.068 | 1.068 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 32 | ARG | 1 | 0.804 | 0.891 | 2.252 | 6.913 | 7.726 | 0.666 | -0.492 | -0.987 | -0.001 |
26 | A | 33 | ASN | 0 | 0.011 | -0.003 | 6.789 | -1.678 | -1.678 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 34 | ILE | 0 | -0.023 | 0.001 | 8.086 | -0.366 | -0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 35 | TRP | 0 | 0.029 | 0.010 | 2.077 | -0.432 | 0.064 | 1.698 | -0.738 | -1.457 | -0.001 |
29 | A | 36 | GLU | -1 | -0.781 | -0.876 | 1.779 | -38.554 | -41.088 | 14.956 | -6.673 | -5.750 | -0.086 |
30 | A | 37 | LYS | 1 | 0.923 | 0.978 | 4.585 | 2.212 | 2.282 | -0.001 | -0.001 | -0.067 | 0.000 |
31 | A | 38 | ASN | 0 | -0.048 | -0.053 | 7.641 | 0.555 | 0.555 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 39 | VAL | 0 | 0.020 | 0.011 | 3.216 | 0.496 | 1.021 | 0.056 | -0.170 | -0.411 | 0.001 |
33 | A | 40 | LYS | 1 | 0.900 | 0.967 | 5.621 | 3.365 | 3.365 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 41 | HIS | 0 | -0.002 | -0.003 | 6.186 | 0.797 | 0.797 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 42 | ILE | 0 | -0.002 | -0.007 | 8.190 | 0.467 | 0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 43 | GLN | 0 | -0.052 | -0.029 | 4.046 | -1.885 | -1.713 | -0.001 | -0.033 | -0.138 | 0.000 |
37 | A | 44 | GLU | -1 | -0.916 | -0.971 | 8.416 | -1.148 | -1.148 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 45 | HIS | 0 | -0.076 | -0.037 | 10.965 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 46 | ASN | 0 | 0.022 | -0.020 | 11.667 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 47 | LEU | 0 | 0.022 | 0.022 | 11.222 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 48 | ARG | 1 | 0.934 | 0.964 | 14.357 | 0.450 | 0.450 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 49 | HIS | 0 | 0.005 | -0.002 | 16.646 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 50 | ASP | -1 | -0.943 | -0.952 | 16.724 | 0.462 | 0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 51 | LEU | 0 | -0.094 | -0.043 | 18.760 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 52 | GLY | 0 | -0.017 | 0.004 | 21.054 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 53 | LEU | 0 | -0.069 | -0.043 | 19.857 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 54 | VAL | 0 | -0.022 | -0.005 | 18.113 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 55 | THR | 0 | -0.002 | -0.010 | 21.515 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 56 | TYR | 0 | -0.084 | -0.069 | 18.046 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 57 | THR | 0 | 0.048 | 0.042 | 15.439 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 58 | LEU | 0 | 0.039 | 0.018 | 12.697 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 59 | GLY | 0 | -0.034 | -0.033 | 11.823 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 60 | LEU | 0 | -0.011 | 0.003 | 7.550 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 61 | ASN | 0 | 0.008 | 0.002 | 11.434 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 62 | GLN | 0 | 0.092 | 0.041 | 12.846 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 63 | PHE | 0 | 0.005 | -0.012 | 14.964 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 64 | THR | 0 | -0.021 | -0.001 | 8.544 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 65 | ASP | -1 | -0.756 | -0.833 | 10.350 | -1.795 | -1.795 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 66 | MET | 0 | 0.012 | 0.038 | 11.510 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 67 | THR | 0 | 0.030 | 0.016 | 13.799 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 68 | PHE | 0 | 0.055 | 0.010 | 15.536 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 69 | GLU | -1 | -0.952 | -0.974 | 18.018 | -0.772 | -0.772 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 70 | GLU | -1 | -0.786 | -0.882 | 17.270 | -0.956 | -0.956 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 71 | PHE | 0 | 0.019 | -0.011 | 18.573 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 72 | LYS | 1 | 0.965 | 0.969 | 20.539 | 0.561 | 0.561 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 73 | ALA | 0 | -0.041 | -0.008 | 23.345 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 74 | LYS | 1 | 0.880 | 0.943 | 21.677 | 0.609 | 0.609 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 75 | TYR | 0 | -0.068 | -0.056 | 22.693 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 76 | LEU | 0 | -0.096 | -0.010 | 23.419 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 77 | THR | 0 | -0.042 | -0.027 | 27.375 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 78 | GLU | -1 | -0.918 | -0.966 | 30.820 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 79 | MET | 0 | -0.067 | -0.027 | 33.131 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 80 | SER | 0 | 0.026 | 0.038 | 35.512 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 81 | ARG | 1 | 0.918 | 0.938 | 37.847 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 82 | ALA | 0 | 0.034 | 0.014 | 40.859 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 83 | SER | 0 | -0.021 | -0.029 | 43.524 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 84 | ASP | -1 | -0.816 | -0.900 | 40.582 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 85 | ILE | 0 | -0.033 | 0.004 | 44.099 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 86 | LEU | 0 | -0.009 | 0.003 | 45.932 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 87 | SER | 0 | -0.014 | -0.006 | 46.108 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 88 | HIS | 0 | 0.019 | -0.002 | 47.555 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 89 | GLY | 0 | -0.042 | -0.023 | 48.459 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 90 | VAL | 0 | -0.046 | -0.025 | 49.384 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 91 | PRO | 0 | 0.010 | 0.002 | 47.757 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 92 | TYR | 0 | -0.072 | -0.034 | 46.040 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 93 | GLU | -1 | -0.832 | -0.920 | 47.466 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 94 | ALA | 0 | -0.023 | -0.002 | 49.613 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 95 | ASN | 0 | -0.053 | -0.038 | 51.355 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 96 | ASN | 0 | 0.051 | 0.028 | 50.289 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 97 | ARG | 1 | 0.909 | 0.934 | 46.486 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 98 | ALA | 0 | -0.033 | -0.008 | 48.841 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 99 | VAL | 0 | -0.009 | 0.024 | 44.324 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 100 | PRO | 0 | 0.042 | 0.025 | 43.334 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 101 | ASP | -1 | -0.918 | -0.962 | 41.565 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 102 | LYS | 1 | 0.906 | 0.953 | 37.659 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 103 | ILE | 0 | 0.011 | 0.002 | 38.183 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 104 | ASP | -1 | -0.707 | -0.845 | 34.039 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 105 | TRP | 0 | -0.002 | -0.006 | 37.088 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 106 | ARG | 1 | 0.801 | 0.872 | 29.373 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 107 | GLU | -1 | -0.965 | -0.977 | 36.530 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 108 | SER | 0 | -0.064 | -0.030 | 38.883 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 109 | GLY | 0 | -0.015 | 0.006 | 39.505 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 110 | TYR | 0 | -0.043 | -0.019 | 40.259 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 111 | VAL | 0 | -0.006 | -0.009 | 33.985 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 112 | THR | 0 | -0.023 | -0.015 | 34.740 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 113 | GLU | -1 | -0.860 | -0.926 | 29.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 114 | VAL | 0 | -0.076 | -0.047 | 25.709 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 115 | LYS | 1 | 0.804 | 0.910 | 28.160 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 116 | ASP | -1 | -0.866 | -0.953 | 23.053 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 117 | GLN | 0 | 0.029 | 0.018 | 25.621 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 118 | GLY | 0 | 0.054 | 0.051 | 23.922 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 119 | ASN | 0 | -0.005 | -0.008 | 23.796 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 120 | CYS | 0 | -0.034 | -0.030 | 24.951 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 121 | GLY | 0 | 0.096 | 0.072 | 27.431 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 122 | SER | 0 | -0.030 | -0.035 | 28.890 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 123 | GLY | 0 | 0.052 | 0.033 | 29.893 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 124 | TRP | 0 | 0.033 | 0.009 | 30.600 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 125 | ALA | 0 | -0.008 | 0.001 | 33.777 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 126 | PHE | 0 | 0.026 | 0.002 | 30.578 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 127 | SER | 0 | -0.058 | -0.017 | 33.422 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 128 | THR | 0 | -0.006 | -0.025 | 34.796 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 129 | THR | 0 | -0.018 | -0.041 | 35.516 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 130 | GLY | 0 | 0.054 | 0.040 | 35.818 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 131 | THR | 0 | -0.042 | -0.043 | 36.711 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 132 | MET | 0 | -0.033 | -0.017 | 39.584 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 133 | GLU | -1 | -0.793 | -0.896 | 36.615 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 134 | GLY | 0 | 0.028 | 0.018 | 40.242 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 135 | GLN | 0 | -0.049 | -0.035 | 41.438 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 136 | TYR | 0 | 0.022 | 0.006 | 44.351 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 137 | MET | 0 | -0.032 | -0.004 | 39.047 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 138 | LYS | 1 | 0.937 | 0.993 | 44.781 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 139 | ASN | 0 | -0.074 | -0.044 | 46.595 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 140 | GLU | -1 | -0.955 | -0.988 | 48.359 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 141 | ARG | 1 | 0.874 | 0.962 | 47.783 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 142 | THR | 0 | -0.009 | -0.002 | 46.542 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 143 | SER | 0 | 0.033 | 0.011 | 41.518 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 144 | ILE | 0 | -0.054 | -0.030 | 41.573 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 145 | SER | 0 | 0.033 | 0.005 | 36.335 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 146 | PHE | 0 | -0.064 | -0.039 | 38.544 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 147 | SER | 0 | 0.005 | 0.006 | 37.501 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 148 | GLH | 0 | 0.007 | -0.032 | 33.435 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 149 | GLN | 0 | 0.011 | 0.001 | 34.354 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 150 | GLN | 0 | 0.070 | 0.037 | 36.873 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 151 | LEU | 0 | -0.046 | -0.023 | 38.100 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 152 | VAL | 0 | -0.016 | 0.002 | 34.135 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 153 | ASP | -1 | -0.721 | -0.834 | 37.426 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 154 | CYS | 0 | -0.133 | -0.050 | 39.908 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 155 | SER | 0 | -0.031 | -0.030 | 40.625 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 156 | ARG | 1 | 0.821 | 0.864 | 37.358 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 157 | PRO | 0 | -0.038 | -0.020 | 43.014 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 158 | TRP | 0 | -0.022 | 0.001 | 44.981 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 159 | GLY | 0 | 0.014 | 0.009 | 43.359 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 160 | ASN | 0 | -0.050 | -0.013 | 38.854 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 161 | ASN | 0 | 0.025 | 0.004 | 35.327 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 162 | GLY | 0 | 0.094 | 0.055 | 35.655 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 164 | GLY | 0 | 0.019 | 0.014 | 30.629 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 165 | GLY | 0 | 0.029 | 0.025 | 32.764 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 166 | GLY | 0 | 0.003 | -0.019 | 33.650 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 167 | LEU | 0 | 0.005 | 0.006 | 35.901 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 168 | MET | 0 | 0.039 | 0.023 | 36.010 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 169 | GLU | -1 | -0.804 | -0.888 | 39.569 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 170 | ASN | 0 | 0.002 | 0.003 | 41.277 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 171 | ALA | 0 | -0.003 | -0.005 | 40.601 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 172 | TYR | 0 | 0.020 | -0.022 | 41.202 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 173 | GLN | 0 | 0.057 | 0.037 | 45.282 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 174 | TYR | 0 | 0.021 | 0.027 | 44.208 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 175 | LEU | 0 | 0.010 | -0.009 | 42.984 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 176 | LYS | 1 | 0.838 | 0.934 | 47.396 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 177 | GLN | 0 | -0.077 | -0.018 | 50.448 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 178 | PHE | 0 | -0.080 | -0.042 | 48.178 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 179 | GLY | 0 | 0.002 | 0.009 | 48.310 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 180 | LEU | 0 | -0.002 | -0.014 | 41.136 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 181 | GLU | -1 | -0.785 | -0.909 | 43.256 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 182 | THR | 0 | 0.045 | 0.007 | 41.656 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 183 | GLU | -1 | -0.765 | -0.854 | 34.936 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 184 | SER | 0 | -0.047 | -0.036 | 38.590 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 185 | SER | 0 | -0.033 | -0.003 | 40.413 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 186 | TYR | 0 | -0.093 | -0.048 | 39.341 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 187 | PRO | 0 | 0.035 | 0.034 | 35.788 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 188 | TYR | 0 | -0.045 | -0.057 | 28.817 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 189 | THR | 0 | -0.027 | -0.024 | 31.942 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 190 | ALA | 0 | -0.035 | -0.009 | 28.285 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 191 | VAL | 0 | 0.006 | 0.007 | 29.962 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 192 | GLU | -1 | -0.806 | -0.864 | 32.507 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 193 | GLY | 0 | -0.010 | -0.017 | 35.711 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 194 | GLN | 0 | -0.010 | 0.003 | 38.759 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 196 | ARG | 1 | 0.953 | 0.968 | 38.539 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 197 | TYR | 0 | 0.019 | 0.011 | 44.880 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 198 | ASN | 0 | 0.030 | 0.017 | 46.677 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 199 | LYS | 1 | 0.962 | 0.975 | 49.195 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 200 | GLN | 0 | -0.041 | -0.035 | 51.653 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 201 | LEU | 0 | 0.014 | 0.025 | 46.476 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 202 | GLY | 0 | -0.046 | -0.006 | 47.495 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 203 | VAL | 0 | 0.005 | -0.002 | 46.406 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 204 | ALA | 0 | -0.022 | -0.011 | 46.128 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 205 | LYS | 1 | 0.930 | 0.980 | 47.809 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 206 | VAL | 0 | 0.009 | 0.001 | 46.021 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 207 | THR | 0 | -0.052 | -0.038 | 49.163 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 208 | GLY | 0 | 0.008 | 0.001 | 50.415 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 209 | PHE | 0 | -0.030 | -0.005 | 45.664 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 210 | TYR | 0 | 0.056 | 0.042 | 45.970 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 211 | THR | 0 | -0.034 | -0.010 | 43.857 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 212 | VAL | 0 | 0.007 | 0.002 | 41.377 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 213 | HIS | 1 | 0.769 | 0.840 | 40.956 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 214 | SER | 0 | -0.002 | 0.002 | 42.012 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 215 | GLY | 0 | 0.028 | 0.027 | 39.088 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 216 | SER | 0 | -0.004 | 0.005 | 39.614 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 217 | GLU | -1 | -0.712 | -0.893 | 35.245 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 218 | VAL | 0 | -0.039 | -0.016 | 39.479 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 219 | GLU | -1 | -0.852 | -0.923 | 42.635 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 220 | LEU | 0 | 0.028 | 0.022 | 36.409 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 221 | LYS | 1 | 0.932 | 0.970 | 40.028 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 222 | ASN | 0 | -0.025 | -0.022 | 41.001 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 223 | LEU | 0 | 0.029 | 0.025 | 41.790 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 224 | VAL | 0 | -0.001 | -0.007 | 38.051 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 225 | GLY | 0 | -0.017 | -0.012 | 41.262 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 226 | ALA | 0 | -0.021 | -0.005 | 43.120 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 227 | GLU | -1 | -0.888 | -0.951 | 44.828 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 228 | GLY | 0 | -0.014 | 0.005 | 42.112 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 229 | PRO | 0 | -0.029 | -0.026 | 37.131 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 230 | ALA | 0 | 0.025 | 0.040 | 37.893 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 231 | ALA | 0 | -0.001 | 0.013 | 36.305 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 232 | VAL | 0 | -0.009 | -0.009 | 32.613 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 233 | ALA | 0 | 0.032 | 0.012 | 32.381 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 234 | VAL | 0 | -0.016 | -0.010 | 27.726 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 235 | ASP | -1 | -0.762 | -0.854 | 27.534 | -0.372 | -0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 236 | VAL | 0 | -0.034 | -0.010 | 22.721 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 237 | GLU | -1 | -0.713 | -0.827 | 21.792 | -0.444 | -0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 238 | SER | 0 | 0.031 | -0.005 | 15.943 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 239 | ASP | -1 | -0.756 | -0.851 | 16.353 | -0.690 | -0.690 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 240 | PHE | 0 | -0.006 | -0.007 | 17.784 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 241 | MET | 0 | 0.001 | 0.012 | 14.709 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 242 | MET | 0 | -0.036 | -0.022 | 12.637 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 243 | TYR | 0 | 0.012 | 0.014 | 15.215 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 244 | ARG | 1 | 0.777 | 0.898 | 14.391 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 245 | SER | 0 | -0.035 | -0.036 | 17.567 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 246 | GLY | 0 | 0.043 | 0.030 | 20.229 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 247 | ILE | 0 | -0.018 | 0.002 | 22.821 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 248 | TYR | 0 | 0.032 | 0.011 | 20.642 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 249 | GLN | 0 | -0.015 | -0.030 | 23.440 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 250 | SER | 0 | 0.021 | -0.044 | 23.449 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 251 | GLN | 0 | 0.007 | -0.010 | 23.960 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 252 | THR | 0 | -0.077 | -0.063 | 24.430 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 253 | CYS | 0 | -0.092 | 0.010 | 26.526 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 254 | SER | 0 | 0.018 | 0.001 | 27.943 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 255 | PRO | 0 | 0.002 | -0.009 | 31.514 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 256 | LEU | 0 | -0.031 | -0.034 | 34.079 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 257 | ARG | 1 | 0.813 | 0.916 | 26.768 | 0.377 | 0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 258 | VAL | 0 | -0.054 | -0.017 | 30.560 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 259 | ASN | 0 | 0.039 | 0.008 | 26.613 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 260 | HIS | 0 | 0.023 | -0.003 | 26.954 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 261 | ALA | 0 | -0.019 | 0.002 | 29.503 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 262 | VAL | 0 | -0.022 | -0.001 | 27.821 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 263 | LEU | 0 | 0.010 | 0.017 | 31.169 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 264 | ALA | 0 | 0.013 | 0.013 | 32.505 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 265 | VAL | 0 | 0.027 | -0.004 | 32.750 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 266 | GLY | 0 | 0.032 | 0.007 | 34.983 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 267 | TYR | 0 | -0.092 | -0.046 | 34.465 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 268 | GLY | 0 | 0.031 | 0.016 | 34.556 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 269 | THR | 0 | 0.006 | 0.004 | 33.832 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 270 | GLN | 0 | 0.003 | 0.010 | 27.641 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 271 | GLY | 0 | 0.005 | 0.008 | 31.613 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 272 | GLY | 0 | 0.012 | 0.003 | 32.707 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 273 | THR | 0 | -0.017 | 0.002 | 29.340 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 274 | ASP | -1 | -0.809 | -0.893 | 32.353 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 275 | TYR | 0 | -0.019 | -0.032 | 29.942 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 276 | TRP | 0 | -0.003 | -0.013 | 31.137 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 277 | ILE | 0 | -0.033 | -0.019 | 30.189 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 278 | VAL | 0 | 0.000 | -0.003 | 28.499 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 279 | LYS | 1 | 0.897 | 0.974 | 28.186 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 280 | ASN | 0 | 0.038 | 0.028 | 23.972 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 281 | SER | 0 | -0.010 | -0.017 | 26.958 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 282 | TRP | 0 | -0.002 | 0.003 | 21.349 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 283 | GLY | 0 | 0.072 | 0.039 | 21.673 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 284 | LEU | 0 | -0.013 | -0.022 | 22.886 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 285 | SER | 0 | -0.023 | -0.017 | 17.260 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 286 | TRP | 0 | -0.038 | 0.002 | 17.621 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 287 | GLY | 0 | 0.011 | 0.019 | 18.893 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 288 | GLU | -1 | -0.747 | -0.868 | 20.309 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 289 | ARG | 1 | 0.933 | 0.957 | 22.186 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 290 | GLY | 0 | 0.062 | 0.033 | 22.945 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 291 | TYR | 0 | -0.065 | -0.030 | 24.491 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 292 | ILE | 0 | 0.019 | 0.010 | 22.850 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 293 | ARG | 1 | 0.776 | 0.881 | 24.917 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 294 | MET | 0 | 0.012 | 0.025 | 25.836 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 295 | VAL | 0 | 0.001 | -0.004 | 27.900 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 296 | ARG | 1 | 0.819 | 0.924 | 29.811 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 297 | ASN | 0 | -0.062 | -0.044 | 33.569 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 298 | ARG | 1 | 0.893 | 0.941 | 29.577 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 299 | GLY | 0 | -0.004 | 0.001 | 33.019 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 300 | ASN | 0 | 0.030 | 0.023 | 34.789 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 301 | MET | 0 | 0.020 | 0.031 | 28.516 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 302 | CYS | 0 | -0.014 | -0.041 | 27.368 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 303 | GLY | 0 | 0.066 | 0.031 | 30.013 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 304 | ILE | 0 | -0.028 | 0.013 | 31.510 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 305 | ALA | 0 | 0.000 | -0.006 | 33.878 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 306 | SER | 0 | -0.026 | -0.025 | 36.316 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 307 | LEU | 0 | -0.020 | -0.002 | 36.591 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 308 | ALA | 0 | -0.004 | 0.019 | 38.037 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 309 | SER | 0 | 0.017 | 0.008 | 39.136 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 310 | LEU | 0 | -0.014 | -0.008 | 40.688 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 311 | PRO | 0 | -0.010 | 0.012 | 42.682 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 312 | MET | 0 | 0.038 | 0.023 | 45.786 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 313 | VAL | 0 | 0.019 | 0.002 | 45.480 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 314 | ALA | 0 | -0.035 | -0.019 | 48.884 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 315 | ARG | 1 | 0.988 | 0.991 | 50.652 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 316 | PHE | 0 | -0.070 | -0.055 | 50.767 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 317 | PRO | 0 | -0.015 | 0.023 | 52.562 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |