FMODB ID: YV4K2
Calculation Name: 1U0K-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1U0K
Chain ID: A
UniProt ID: Q9HV82
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 | 284 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3877575.797018 |
---|---|
FMO2-HF: Nuclear repulsion | 3770675.576601 |
FMO2-HF: Total energy | -106900.220418 |
FMO2-MP2: Total energy | -107217.585526 |
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:1:MET)
Summations of interaction energy for
fragment #1(A:1:MET)
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. |
-1.934 | -0.085 | 0.005 | -0.811 | -1.043 | 0.001 |
Interaction energy analysis for fragmet #1(A:1:MET)
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 | 3 | ARG | 1 | 0.906 | 0.939 | 3.629 | 0.150 | 1.999 | 0.005 | -0.811 | -1.043 | 0.001 |
4 | A | 4 | ARG | 1 | 0.815 | 0.877 | 6.359 | 0.837 | 0.837 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 5 | TYR | 0 | 0.043 | 0.032 | 9.865 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | TRP | 0 | -0.040 | -0.048 | 12.017 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | GLN | 0 | -0.018 | 0.003 | 16.279 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | LEU | 0 | -0.005 | -0.021 | 18.871 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | ASP | -1 | -0.734 | -0.858 | 22.412 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | VAL | 0 | -0.040 | -0.027 | 25.245 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | PHE | 0 | 0.036 | 0.017 | 27.855 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | ALA | 0 | -0.018 | 0.009 | 28.908 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | GLU | -1 | -0.837 | -0.901 | 30.153 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | ARG | 1 | 0.924 | 0.963 | 30.881 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | PRO | 0 | 0.026 | 0.025 | 26.904 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | LEU | 0 | -0.032 | -0.019 | 27.869 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | THR | 0 | -0.078 | -0.041 | 30.100 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | GLY | 0 | 0.079 | 0.046 | 30.383 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | ASN | 0 | -0.055 | -0.046 | 29.427 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | GLY | 0 | 0.047 | 0.038 | 26.360 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | LEU | 0 | -0.037 | -0.009 | 21.674 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | ALA | 0 | 0.017 | 0.015 | 18.524 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | VAL | 0 | 0.003 | -0.004 | 16.094 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | PHE | 0 | 0.039 | 0.009 | 11.772 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | ASP | -1 | -0.787 | -0.866 | 10.078 | -0.640 | -0.640 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | ASP | -1 | -0.815 | -0.895 | 8.199 | -1.354 | -1.354 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | ALA | 0 | -0.007 | 0.006 | 9.703 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | SER | 0 | -0.044 | -0.064 | 9.896 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | ALA | 0 | -0.099 | -0.038 | 7.173 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | LEU | 0 | -0.038 | -0.012 | 9.296 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | ASP | -1 | -0.826 | -0.908 | 12.511 | -0.370 | -0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | ASP | -1 | -0.771 | -0.873 | 16.214 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | ALA | 0 | -0.016 | -0.001 | 19.380 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | ALA | 0 | -0.010 | -0.007 | 14.576 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | MET | 0 | -0.035 | -0.007 | 14.640 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | GLN | 0 | 0.007 | 0.010 | 17.365 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | ALA | 0 | -0.029 | -0.018 | 18.264 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | TRP | 0 | 0.015 | -0.009 | 11.988 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | THR | 0 | 0.001 | -0.007 | 17.682 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | ARG | 1 | 0.789 | 0.882 | 20.827 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | GLU | -1 | -0.974 | -0.968 | 17.846 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | LEU | 0 | -0.052 | -0.039 | 16.489 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | ARG | 1 | 0.874 | 0.945 | 20.876 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | GLN | 0 | -0.009 | 0.011 | 22.446 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | PHE | 0 | 0.030 | 0.016 | 24.985 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | GLU | -1 | -0.846 | -0.937 | 24.935 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | SER | 0 | -0.059 | -0.043 | 19.535 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | ILE | 0 | -0.038 | -0.002 | 19.065 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | PHE | 0 | -0.012 | -0.013 | 14.622 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | LEU | 0 | -0.001 | 0.004 | 14.379 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | LEU | 0 | 0.006 | -0.001 | 13.682 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | PRO | 0 | 0.027 | 0.014 | 11.087 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | GLY | 0 | -0.002 | -0.004 | 14.366 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | ASP | -1 | -0.941 | -0.964 | 15.717 | -0.339 | -0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | ASP | -1 | -0.835 | -0.910 | 17.901 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | PRO | 0 | -0.042 | -0.024 | 16.936 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | ARG | 1 | 0.788 | 0.870 | 17.969 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | ALA | 0 | -0.005 | -0.001 | 19.975 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | PHE | 0 | -0.002 | 0.008 | 13.507 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | ARG | 1 | 0.881 | 0.937 | 15.630 | 0.538 | 0.538 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | ALA | 0 | -0.008 | -0.010 | 18.059 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | ARG | 1 | 0.739 | 0.816 | 18.871 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | ILE | 0 | -0.001 | -0.007 | 20.256 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | PHE | 0 | 0.020 | 0.011 | 19.826 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | THR | 0 | 0.068 | 0.017 | 23.800 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | LEU | 0 | 0.005 | -0.001 | 25.217 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | GLU | -1 | -0.898 | -0.906 | 26.817 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | GLU | -1 | -0.897 | -0.960 | 27.328 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | GLU | -1 | -0.810 | -0.880 | 23.160 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | LEU | 0 | 0.013 | 0.004 | 26.027 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | PRO | 0 | 0.008 | 0.027 | 25.625 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | PHE | 0 | 0.000 | -0.013 | 26.896 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | ALA | 0 | 0.017 | -0.004 | 28.132 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | GLY | 0 | 0.077 | 0.033 | 27.949 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | HIS | 0 | 0.065 | 0.034 | 27.339 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | PRO | 0 | 0.021 | 0.008 | 23.040 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | LEU | 0 | 0.000 | 0.001 | 22.701 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | LEU | 0 | -0.009 | 0.000 | 23.594 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | GLY | 0 | 0.040 | 0.012 | 22.675 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | ALA | 0 | 0.007 | 0.007 | 19.219 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | ALA | 0 | 0.012 | 0.007 | 19.572 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | ALA | 0 | 0.009 | 0.007 | 21.665 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | LEU | 0 | -0.009 | -0.002 | 14.859 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | LEU | 0 | 0.016 | 0.011 | 15.830 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | HIS | 0 | -0.042 | -0.012 | 18.097 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | HIS | 0 | -0.041 | -0.033 | 16.610 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | LEU | 0 | -0.043 | -0.019 | 12.234 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | ARG | 1 | 0.884 | 0.963 | 15.311 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | GLY | 0 | 0.022 | 0.019 | 17.501 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | GLY | 0 | -0.013 | -0.014 | 20.271 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | ASP | -1 | -0.862 | -0.926 | 23.894 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | ASN | 0 | -0.038 | -0.012 | 27.066 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | GLU | -1 | -0.796 | -0.879 | 27.317 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | GLN | 0 | -0.086 | -0.020 | 23.128 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | HIS | 0 | -0.003 | -0.019 | 25.730 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | TRP | 0 | 0.002 | -0.010 | 19.573 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | THR | 0 | -0.047 | -0.030 | 22.912 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | LEU | 0 | -0.003 | 0.011 | 20.169 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | HIS | 0 | 0.014 | 0.015 | 22.056 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | LEU | 0 | 0.007 | 0.008 | 22.676 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | ALA | 0 | -0.006 | -0.014 | 25.116 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | SER | 0 | -0.037 | -0.019 | 26.803 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | LYS | 1 | 0.832 | 0.896 | 28.800 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | SER | 0 | -0.004 | -0.012 | 26.485 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | VAL | 0 | 0.005 | 0.005 | 26.792 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | ALA | 0 | 0.030 | 0.030 | 26.533 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | LEU | 0 | -0.016 | -0.020 | 24.621 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | ARG | 1 | 0.768 | 0.856 | 27.242 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | SER | 0 | 0.022 | 0.008 | 24.709 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | VAL | 0 | 0.004 | -0.002 | 27.041 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | ARG | 1 | 0.874 | 0.923 | 21.989 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | ALA | 0 | -0.005 | -0.011 | 27.999 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | GLY | 0 | -0.007 | -0.001 | 29.719 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | SER | 0 | -0.060 | -0.046 | 27.869 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | GLY | 0 | 0.007 | 0.010 | 25.229 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | PHE | 0 | -0.035 | -0.009 | 21.693 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | TYR | 0 | -0.065 | -0.054 | 26.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | ALA | 0 | -0.002 | -0.002 | 26.299 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | GLU | -1 | -0.778 | -0.858 | 28.388 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | MET | 0 | -0.023 | 0.013 | 28.435 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | ASP | -1 | -0.810 | -0.904 | 30.311 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | GLN | 0 | -0.002 | -0.016 | 32.028 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | GLY | 0 | 0.043 | 0.035 | 33.736 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | ARG | 1 | 0.840 | 0.912 | 36.415 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | ALA | 0 | 0.018 | 0.011 | 39.202 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | GLU | -1 | -0.987 | -0.982 | 40.503 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | PHE | 0 | -0.029 | -0.031 | 42.215 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | GLY | 0 | 0.047 | 0.033 | 44.797 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | ALA | 0 | 0.022 | 0.018 | 45.916 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | THR | 0 | -0.012 | -0.009 | 48.193 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | PRO | 0 | 0.017 | 0.016 | 49.174 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | ASP | -1 | -0.779 | -0.856 | 51.927 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | ALA | 0 | 0.035 | 0.004 | 55.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | GLY | 0 | -0.030 | -0.005 | 57.014 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | THR | 0 | -0.012 | -0.043 | 50.819 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | CYS | 0 | -0.062 | -0.032 | 52.029 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | ARG | 1 | 0.796 | 0.871 | 52.700 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | TRP | 0 | -0.008 | -0.001 | 47.162 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | PHE | 0 | 0.061 | 0.010 | 45.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | ALA | 0 | 0.014 | 0.017 | 48.891 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | GLU | -1 | -0.815 | -0.882 | 50.884 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | ALA | 0 | -0.055 | -0.019 | 47.660 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | PHE | 0 | 0.047 | 0.004 | 42.385 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | SER | 0 | -0.038 | -0.022 | 48.012 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | LEU | 0 | -0.046 | 0.001 | 49.620 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | SER | 0 | 0.021 | -0.015 | 52.927 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | ALA | 0 | 0.031 | -0.011 | 55.423 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | ASN | 0 | -0.058 | -0.014 | 57.450 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | ASP | -1 | -0.792 | -0.871 | 53.627 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | LEU | 0 | -0.021 | -0.006 | 51.923 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | SER | 0 | -0.004 | 0.000 | 52.486 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | GLY | 0 | -0.031 | -0.013 | 54.625 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | HIS | 0 | 0.010 | -0.003 | 52.487 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | PRO | 0 | -0.006 | 0.009 | 52.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | PRO | 0 | 0.056 | 0.029 | 49.469 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | ARG | 1 | 0.821 | 0.904 | 47.697 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | VAL | 0 | 0.011 | 0.019 | 42.417 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | VAL | 0 | -0.053 | -0.017 | 41.581 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | SER | 0 | 0.057 | 0.032 | 37.721 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | THR | 0 | 0.017 | -0.004 | 34.954 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | GLY | 0 | -0.028 | -0.023 | 33.273 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | LEU | 0 | 0.015 | 0.030 | 32.093 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | PRO | 0 | -0.015 | -0.002 | 34.917 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | TYR | 0 | 0.054 | 0.006 | 33.715 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | LEU | 0 | -0.008 | -0.006 | 39.997 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | LEU | 0 | -0.023 | -0.004 | 41.393 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | LEU | 0 | 0.028 | -0.010 | 44.706 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | PRO | 0 | 0.006 | 0.002 | 47.536 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | VAL | 0 | -0.002 | 0.012 | 48.228 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | THR | 0 | 0.036 | 0.017 | 50.993 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | ALA | 0 | 0.052 | 0.022 | 49.890 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | GLU | -1 | -0.915 | -0.936 | 50.371 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | ALA | 0 | 0.016 | 0.002 | 51.886 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | LEU | 0 | -0.001 | -0.001 | 44.648 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | GLY | 0 | 0.005 | 0.011 | 46.823 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | ARG | 1 | 0.676 | 0.795 | 47.890 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | ALA | 0 | -0.005 | 0.012 | 46.198 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | ARG | 1 | 0.919 | 0.946 | 43.872 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | GLN | 0 | 0.001 | 0.022 | 41.002 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | VAL | 0 | -0.073 | -0.034 | 44.982 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | ASN | 0 | -0.059 | -0.015 | 46.517 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | ASP | -1 | -0.856 | -0.932 | 42.702 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | LEU | 0 | 0.020 | -0.006 | 41.672 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | GLN | 0 | 0.001 | 0.012 | 38.657 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | GLU | -1 | -0.784 | -0.880 | 42.063 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | ALA | 0 | -0.025 | -0.015 | 45.068 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | LEU | 0 | -0.026 | -0.017 | 40.449 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | ASP | -1 | -0.816 | -0.900 | 41.153 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | LYS | 1 | 0.704 | 0.835 | 43.458 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | LEU | 0 | -0.062 | -0.026 | 45.572 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | GLY | 0 | -0.017 | -0.002 | 42.550 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | ALA | 0 | -0.050 | -0.037 | 40.579 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | ALA | 0 | 0.009 | 0.004 | 35.866 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | PHE | 0 | 0.025 | 0.020 | 33.100 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | VAL | 0 | 0.004 | 0.008 | 38.767 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | TYR | 0 | -0.041 | -0.025 | 37.742 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | LEU | 0 | -0.010 | 0.010 | 41.716 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | LEU | 0 | 0.005 | -0.012 | 43.658 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | ASP | -1 | -0.814 | -0.890 | 45.792 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | VAL | 0 | -0.018 | -0.033 | 47.230 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | ASP | -1 | -0.954 | -0.968 | 48.830 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | GLY | 0 | -0.028 | -0.018 | 48.761 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | ARG | 1 | 0.849 | 0.921 | 44.567 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | GLU | -1 | -0.815 | -0.872 | 42.730 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | GLY | 0 | 0.058 | 0.011 | 41.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | ARG | 1 | 0.700 | 0.820 | 40.287 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | THR | 0 | -0.007 | -0.018 | 36.220 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | TRP | 0 | 0.000 | 0.000 | 36.391 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | ASP | -1 | -0.749 | -0.859 | 33.486 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | ASN | 0 | -0.029 | -0.028 | 34.909 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | LEU | 0 | -0.021 | -0.007 | 36.295 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | GLY | 0 | -0.001 | 0.009 | 38.278 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | LEU | 0 | -0.107 | -0.052 | 36.267 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | VAL | 0 | -0.047 | -0.033 | 32.079 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | GLU | -1 | -0.787 | -0.866 | 35.408 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | ASP | -1 | -0.747 | -0.834 | 32.066 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | VAL | 0 | -0.042 | -0.010 | 32.054 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | ALA | 0 | -0.024 | -0.030 | 32.611 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | THR | 0 | 0.039 | 0.004 | 32.135 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | GLY | 0 | 0.031 | 0.001 | 31.491 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | SER | 0 | 0.040 | 0.019 | 31.223 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | ALA | 0 | 0.008 | 0.022 | 33.017 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | ALA | 0 | 0.001 | -0.003 | 35.284 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | GLY | 0 | 0.032 | 0.017 | 36.053 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | PRO | 0 | -0.007 | -0.013 | 36.922 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | VAL | 0 | 0.046 | 0.026 | 39.924 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | ALA | 0 | 0.012 | 0.005 | 40.311 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | ALA | 0 | 0.014 | 0.000 | 41.545 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | TYR | 0 | -0.032 | -0.039 | 43.270 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | LEU | 0 | -0.011 | -0.012 | 44.430 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | VAL | 0 | -0.018 | -0.010 | 45.246 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | GLU | -1 | -0.886 | -0.910 | 47.389 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | TYR | 0 | -0.044 | -0.026 | 49.160 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | GLY | 0 | -0.015 | 0.000 | 51.142 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | LEU | 0 | -0.008 | 0.007 | 49.833 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | ALA | 0 | -0.028 | -0.012 | 46.865 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | ALA | 0 | 0.025 | 0.026 | 48.526 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | ARG | 1 | 0.804 | 0.871 | 46.339 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | GLY | 0 | -0.027 | -0.020 | 44.917 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | GLU | -1 | -0.946 | -0.965 | 45.282 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | PRO | 0 | -0.051 | -0.019 | 41.093 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | PHE | 0 | -0.054 | -0.035 | 41.741 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | VAL | 0 | -0.006 | -0.003 | 39.862 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | LEU | 0 | -0.009 | 0.006 | 38.902 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | HIS | 0 | -0.047 | -0.025 | 39.536 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | GLN | 0 | 0.028 | 0.005 | 36.021 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | GLY | 0 | 0.099 | 0.041 | 36.859 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | ARG | 1 | 0.808 | 0.863 | 37.749 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | PHE | 0 | -0.031 | -0.007 | 40.749 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | LEU | 0 | -0.001 | 0.007 | 35.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | GLU | -1 | -0.957 | -0.982 | 37.099 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | ARG | 1 | 0.774 | 0.878 | 28.982 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | PRO | 0 | -0.024 | -0.008 | 36.219 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | SER | 0 | -0.014 | -0.004 | 34.806 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | ARG | 1 | 0.822 | 0.878 | 35.810 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | LEU | 0 | 0.002 | 0.006 | 34.684 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | ASP | -1 | -0.795 | -0.869 | 35.531 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | VAL | 0 | -0.024 | -0.021 | 36.113 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | GLN | 0 | -0.005 | 0.006 | 37.012 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | VAL | 0 | 0.016 | 0.007 | 39.699 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | ALA | 0 | 0.031 | 0.024 | 41.232 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | THR | 0 | 0.016 | -0.012 | 43.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | ASP | -1 | -0.944 | -0.953 | 42.074 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | GLY | 0 | 0.031 | 0.012 | 43.675 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | SER | 0 | -0.044 | -0.035 | 38.225 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | VAL | 0 | -0.007 | 0.019 | 37.328 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | ARG | 1 | 0.778 | 0.871 | 33.767 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | VAL | 0 | 0.029 | 0.011 | 32.970 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | GLY | 0 | 0.024 | -0.003 | 31.514 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | GLY | 0 | 0.040 | 0.025 | 31.421 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | HIS | 0 | 0.009 | 0.003 | 30.144 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | VAL | 0 | -0.020 | -0.004 | 24.089 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | GLN | 0 | -0.030 | 0.002 | 25.273 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | LEU | 0 | 0.026 | 0.006 | 18.352 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | LEU | 0 | -0.057 | -0.026 | 21.536 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | ALA | 0 | -0.028 | -0.017 | 18.962 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | ARG | 1 | 0.821 | 0.909 | 11.231 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | ALA | 0 | 0.001 | 0.011 | 13.534 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | GLU | -1 | -0.782 | -0.869 | 8.026 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | LEU | 0 | -0.004 | -0.005 | 7.918 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | LEU | 0 | -0.029 | -0.022 | 7.199 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | THR | 0 | 0.016 | 0.023 | 8.889 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | SER | 0 | 0.011 | 0.005 | 7.178 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | ALA | 0 | 0.002 | 0.012 | 5.060 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |