FMODB ID: 49MLN
Calculation Name: 4NDK-A-Xray372
Preferred Name:
Target Type:
Ligand Name: {(4z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
ligand 3-letter code: CR2
PDB ID: 4NDK
Chain ID: A
UniProt ID: P42212
Base Structure: X-ray
Registration Date: 2023-09-20
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 | OptHSide |
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 | 272 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3802281.170324 |
---|---|
FMO2-HF: Nuclear repulsion | 3692838.765159 |
FMO2-HF: Total energy | -109442.405165 |
FMO2-MP2: Total energy | -109765.591994 |
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:GLN)
Summations of interaction energy for
fragment #1(A:8:GLN)
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. |
-36.636 | -35.218 | 7.714 | -3.764 | -5.367 | 0.03 |
Interaction energy analysis for fragmet #1(A:8:GLN)
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 | LYS | 1 | 0.969 | 0.993 | 1.962 | -33.972 | -34.134 | 7.283 | -3.209 | -3.911 | 0.034 |
4 | A | 11 | ALA | 0 | 0.064 | 0.029 | 3.961 | -0.928 | -0.706 | -0.001 | -0.024 | -0.196 | 0.000 |
5 | A | 12 | LEU | 0 | -0.027 | -0.009 | 4.822 | -0.377 | -0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 13 | ASP | -1 | -0.844 | -0.924 | 6.880 | 0.999 | 0.999 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 14 | LEU | 0 | -0.004 | 0.013 | 8.750 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 15 | ALA | 0 | -0.002 | -0.011 | 8.910 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 16 | PHE | 0 | -0.012 | -0.016 | 10.581 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 17 | TYR | 0 | -0.051 | -0.032 | 12.765 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 18 | PHE | 0 | -0.035 | -0.026 | 12.374 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 19 | ASP | -1 | -0.785 | -0.868 | 14.866 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 20 | ARG | 1 | 0.944 | 0.973 | 14.865 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 21 | ARG | 1 | 0.866 | 0.915 | 16.919 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 22 | LEU | 0 | -0.064 | -0.010 | 13.068 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 23 | THR | 0 | 0.018 | -0.007 | 16.715 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 24 | PRO | 0 | 0.023 | -0.003 | 17.131 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 25 | GLU | -1 | -0.841 | -0.910 | 17.036 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 26 | TRP | 0 | -0.001 | -0.003 | 12.222 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 27 | ARG | 1 | 0.839 | 0.889 | 12.790 | 0.453 | 0.453 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 28 | ARG | 1 | 0.920 | 0.939 | 12.079 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 29 | TYR | 0 | 0.000 | 0.017 | 10.991 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 30 | LEU | 0 | 0.007 | -0.009 | 8.201 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 31 | SER | 0 | -0.106 | -0.069 | 7.667 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 32 | GLN | 0 | 0.020 | -0.009 | 8.621 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 33 | ARG | 1 | 0.911 | 0.987 | 7.632 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 34 | LEU | 0 | -0.047 | -0.033 | 3.170 | -0.377 | 0.032 | 0.019 | -0.105 | -0.323 | -0.001 |
28 | A | 35 | GLY | 0 | -0.021 | 0.014 | 4.158 | -1.341 | -1.133 | -0.001 | -0.034 | -0.173 | 0.000 |
29 | A | 36 | LEU | 0 | -0.047 | -0.028 | 2.623 | -0.744 | -0.003 | 0.414 | -0.392 | -0.764 | -0.003 |
30 | A | 37 | ASN | 0 | 0.058 | 0.045 | 6.621 | 0.440 | 0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 38 | GLU | -1 | -0.704 | -0.853 | 9.939 | -0.634 | -0.634 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 39 | GLU | -1 | -0.847 | -0.919 | 12.531 | -0.683 | -0.683 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 40 | GLN | 0 | -0.094 | -0.056 | 7.431 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 41 | ILE | 0 | -0.009 | 0.014 | 8.003 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 42 | GLU | -1 | -0.738 | -0.851 | 10.113 | -0.347 | -0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 43 | ARG | 1 | 0.915 | 0.951 | 11.232 | 1.344 | 1.344 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 44 | TRP | 0 | -0.082 | -0.040 | 7.555 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 45 | PHE | 0 | 0.042 | 0.015 | 10.078 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 46 | ARG | 1 | 0.912 | 0.948 | 13.634 | 0.548 | 0.548 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 47 | ARG | 1 | 0.929 | 0.971 | 9.972 | 0.862 | 0.862 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 48 | LYS | 1 | 0.902 | 0.951 | 11.577 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 49 | GLU | -1 | -0.824 | -0.925 | 15.600 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 50 | GLN | 0 | -0.008 | 0.008 | 18.651 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 51 | GLN | 0 | -0.011 | -0.006 | 14.311 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 52 | ILE | 0 | -0.010 | 0.005 | 17.518 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 53 | MET | 0 | -0.010 | 0.010 | 21.320 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 54 | VAL | 0 | -0.011 | -0.005 | 22.690 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 55 | SER | 0 | -0.031 | -0.025 | 21.828 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 56 | LYS | 1 | 0.907 | 0.958 | 24.474 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 57 | GLY | 0 | 0.014 | 0.012 | 27.006 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 58 | GLU | -1 | -0.832 | -0.926 | 26.372 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 59 | GLU | -1 | -0.956 | -0.959 | 28.314 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 60 | LEU | 0 | -0.048 | -0.028 | 30.214 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 61 | PHE | 0 | -0.035 | -0.029 | 32.611 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 62 | THR | 0 | -0.017 | -0.004 | 31.817 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 63 | GLY | 0 | -0.042 | -0.011 | 34.418 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 64 | VAL | 0 | -0.038 | -0.018 | 37.880 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 65 | VAL | 0 | 0.024 | 0.015 | 38.017 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 66 | PRO | 0 | 0.020 | 0.016 | 41.218 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 67 | ILE | 0 | -0.011 | -0.014 | 43.371 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 68 | LEU | 0 | 0.018 | 0.007 | 45.807 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 69 | VAL | 0 | -0.062 | -0.033 | 47.203 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 70 | GLU | -1 | -0.871 | -0.938 | 49.479 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 71 | LEU | 0 | -0.041 | -0.016 | 50.816 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 72 | ASP | -1 | -0.915 | -0.959 | 53.110 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 73 | GLY | 0 | 0.022 | 0.010 | 55.055 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 74 | ASP | -1 | -0.802 | -0.896 | 57.465 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 75 | VAL | 0 | 0.022 | 0.015 | 59.098 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 76 | ASN | 0 | -0.014 | -0.014 | 61.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 77 | GLY | 0 | -0.027 | -0.003 | 63.363 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 78 | HIS | 0 | -0.055 | -0.028 | 64.616 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 79 | LYS | 1 | 0.845 | 0.910 | 61.387 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 80 | PHE | 0 | -0.032 | -0.027 | 57.525 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 81 | SER | 0 | 0.043 | 0.028 | 57.879 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 82 | VAL | 0 | -0.057 | -0.032 | 54.905 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 83 | SER | 0 | 0.043 | 0.046 | 54.090 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 84 | GLY | 0 | -0.017 | -0.035 | 52.421 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 85 | GLU | -1 | -0.948 | -0.956 | 50.105 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 86 | GLY | 0 | -0.003 | -0.014 | 48.975 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 87 | GLU | -1 | -0.886 | -0.936 | 44.639 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 88 | GLY | 0 | 0.029 | -0.002 | 41.785 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 89 | ASP | -1 | -0.832 | -0.921 | 38.599 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 90 | ALA | 0 | 0.043 | 0.014 | 35.381 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 91 | THR | 0 | -0.021 | -0.008 | 34.170 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 92 | TYR | 0 | -0.081 | -0.053 | 35.851 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 93 | GLY | 0 | -0.052 | -0.010 | 37.977 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 94 | LYS | 1 | 0.847 | 0.931 | 39.280 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 95 | LEU | 0 | 0.047 | 0.037 | 42.386 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 96 | THR | 0 | -0.015 | -0.016 | 44.642 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 97 | LEU | 0 | 0.017 | 0.014 | 47.405 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 98 | LYS | 1 | 0.813 | 0.893 | 50.466 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 99 | LEU | 0 | -0.004 | 0.000 | 51.454 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 100 | ILE | 0 | 0.013 | -0.011 | 55.312 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 101 | CYS | 0 | -0.037 | -0.009 | 58.455 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 102 | THR | 0 | -0.027 | -0.018 | 59.268 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 103 | THR | 0 | 0.043 | 0.024 | 61.792 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 104 | GLY | 0 | -0.014 | -0.003 | 64.145 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 105 | LYS | 1 | 0.873 | 0.947 | 65.262 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 106 | LEU | 0 | 0.010 | 0.016 | 59.542 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 107 | PRO | 0 | -0.003 | 0.000 | 62.392 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 108 | VAL | 0 | 0.062 | 0.028 | 59.145 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 109 | PRO | 0 | 0.010 | 0.011 | 60.819 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 110 | PHE | 0 | 0.073 | 0.029 | 56.802 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 111 | PRO | 0 | 0.058 | 0.026 | 55.894 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 112 | THR | 0 | -0.069 | -0.028 | 55.043 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 113 | LEU | 0 | 0.004 | 0.000 | 54.022 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 114 | VAL | 0 | 0.027 | 0.023 | 50.398 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 115 | THR | 0 | -0.039 | -0.027 | 48.184 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 116 | THR | 0 | -0.044 | -0.014 | 47.675 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 117 | LEU | 0 | 0.016 | 0.018 | 48.201 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 118 | CR2 | 1 | 0.176 | 0.377 | 43.421 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 121 | LEU | -1 | -0.125 | -0.293 | 42.124 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 122 | GLN | 0 | 0.014 | -0.053 | 39.196 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 123 | CYS | 0 | -0.030 | -0.003 | 36.293 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 124 | PHE | 0 | 0.037 | 0.007 | 36.354 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 125 | ALA | 0 | -0.020 | 0.003 | 36.257 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 126 | ARG | 1 | 0.968 | 0.991 | 33.707 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 127 | TYR | 0 | -0.008 | -0.041 | 30.446 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 128 | PRO | 0 | -0.019 | -0.019 | 30.461 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 129 | ASP | -1 | -0.799 | -0.895 | 25.850 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 130 | HIS | 0 | -0.032 | -0.020 | 24.860 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 131 | MET | 0 | -0.063 | -0.030 | 25.319 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 132 | LYS | 1 | 0.865 | 0.923 | 25.757 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 133 | GLN | 0 | -0.025 | -0.010 | 22.872 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 134 | HIS | 0 | -0.020 | -0.017 | 25.128 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 135 | ASP | -1 | -0.780 | -0.874 | 28.334 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 136 | PHE | 0 | 0.012 | 0.001 | 30.133 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 137 | PHE | 0 | 0.008 | 0.017 | 31.383 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 138 | LYS | 1 | 0.844 | 0.910 | 31.207 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 139 | SER | 0 | -0.085 | -0.042 | 27.685 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 140 | ALA | 0 | -0.011 | -0.004 | 29.373 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 141 | MET | 0 | -0.040 | 0.048 | 32.004 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 142 | PRO | 0 | 0.003 | -0.018 | 30.965 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 143 | GLU | -1 | -0.871 | -0.957 | 31.609 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 144 | GLY | 0 | 0.052 | 0.003 | 34.647 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 145 | TYR | 0 | -0.059 | -0.045 | 35.461 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 146 | VAL | 0 | 0.022 | 0.010 | 37.496 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 147 | GLN | 0 | -0.021 | -0.009 | 39.958 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 148 | GLU | -1 | -0.911 | -0.949 | 42.214 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 149 | ARG | 1 | 0.817 | 0.860 | 43.824 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 150 | THR | 0 | -0.043 | -0.009 | 47.130 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 151 | ILE | 0 | -0.027 | -0.022 | 50.143 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 152 | PHE | 0 | 0.007 | 0.005 | 51.214 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 153 | PHE | 0 | 0.004 | 0.004 | 55.206 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 154 | LYS | 1 | 0.852 | 0.915 | 58.080 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 155 | ASP | -1 | -0.832 | -0.906 | 59.691 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 156 | ASP | -1 | -0.796 | -0.894 | 61.633 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 157 | GLY | 0 | 0.071 | 0.059 | 60.798 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 158 | ASN | 0 | -0.078 | -0.042 | 55.427 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 159 | TYR | 0 | 0.045 | -0.007 | 53.743 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 160 | LYS | 1 | 0.889 | 0.949 | 51.511 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 161 | THR | 0 | -0.013 | -0.016 | 49.007 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 162 | ARG | 1 | 0.867 | 0.944 | 43.371 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 163 | ALA | 0 | 0.008 | 0.011 | 44.800 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 164 | GLU | -1 | -0.787 | -0.876 | 42.004 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 165 | VAL | 0 | -0.008 | -0.003 | 40.068 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 166 | LYS | 1 | 0.868 | 0.926 | 38.413 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 167 | PHE | 0 | 0.017 | 0.017 | 35.836 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 168 | GLU | -1 | -0.917 | -0.948 | 39.133 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 169 | GLY | 0 | -0.007 | -0.010 | 39.917 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 170 | ASP | -1 | -0.883 | -0.953 | 39.160 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 171 | THR | 0 | -0.079 | -0.035 | 40.607 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 172 | LEU | 0 | -0.029 | 0.000 | 38.690 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 173 | VAL | 0 | 0.023 | 0.005 | 41.894 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 174 | ASN | 0 | 0.020 | -0.015 | 43.188 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 175 | ARG | 1 | 0.860 | 0.929 | 45.554 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 176 | ILE | 0 | -0.042 | -0.037 | 47.081 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 177 | GLU | -1 | -0.801 | -0.874 | 49.120 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 178 | LEU | 0 | -0.024 | -0.027 | 51.326 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 179 | LYS | 1 | 0.849 | 0.912 | 53.835 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 180 | GLY | 0 | 0.001 | -0.018 | 55.838 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 181 | ILE | 0 | -0.052 | -0.023 | 58.389 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 182 | ASP | -1 | -0.886 | -0.957 | 60.850 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 183 | PHE | 0 | -0.035 | -0.014 | 58.545 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 184 | LYS | 1 | 0.881 | 0.935 | 64.257 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 185 | GLU | -1 | -0.808 | -0.906 | 67.440 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 186 | ASP | -1 | -0.917 | -0.942 | 69.568 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 187 | GLY | 0 | 0.007 | -0.009 | 66.890 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 188 | ASN | 0 | -0.029 | -0.044 | 63.693 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 189 | ILE | 0 | -0.003 | 0.001 | 60.459 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 190 | LEU | 0 | -0.003 | -0.004 | 63.583 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 191 | GLY | 0 | 0.030 | 0.031 | 66.097 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 192 | HIS | 0 | -0.149 | -0.076 | 64.460 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 193 | LYS | 1 | 0.920 | 0.966 | 65.819 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 194 | LEU | 0 | -0.065 | -0.025 | 59.928 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 195 | GLU | -1 | -0.757 | -0.857 | 61.427 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 196 | TYR | 0 | -0.065 | -0.055 | 58.751 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 197 | ASN | 0 | -0.108 | -0.080 | 57.530 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 198 | TYR | 0 | 0.030 | -0.005 | 50.244 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 199 | ASN | 0 | -0.037 | 0.010 | 52.689 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 200 | SER | 0 | 0.013 | -0.019 | 47.611 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 201 | HIS | 0 | -0.013 | -0.010 | 47.067 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 202 | ASN | 0 | 0.015 | 0.015 | 42.181 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 203 | VAL | 0 | -0.015 | 0.000 | 41.140 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 204 | TYR | 0 | 0.021 | -0.003 | 38.607 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 205 | ILE | 0 | 0.007 | 0.015 | 34.940 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 206 | THR | 0 | -0.007 | 0.000 | 34.571 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 207 | ALA | 0 | 0.059 | 0.023 | 31.202 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 208 | ASP | -1 | -0.917 | -0.989 | 33.169 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 209 | LYS | 1 | 0.996 | 0.976 | 29.031 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 210 | GLN | 0 | -0.022 | 0.008 | 31.417 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 211 | LYS | 1 | 0.915 | 0.965 | 33.766 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 212 | ASN | 0 | -0.026 | -0.013 | 28.635 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 213 | GLY | 0 | 0.120 | 0.050 | 31.503 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 214 | ILE | 0 | -0.080 | 0.005 | 33.122 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 215 | LYS | 1 | 0.886 | 0.938 | 35.414 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 216 | ALA | 0 | 0.003 | 0.004 | 38.652 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 217 | ASN | 0 | -0.036 | -0.016 | 41.299 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 218 | PHE | 0 | 0.007 | 0.005 | 44.340 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 219 | LYS | 1 | 0.857 | 0.919 | 46.729 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 220 | ILE | 0 | -0.009 | 0.011 | 48.901 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 221 | ARG | 1 | 0.911 | 0.955 | 52.022 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 222 | HIS | 0 | 0.025 | 0.010 | 54.774 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 223 | ASN | 0 | -0.001 | -0.007 | 57.812 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 224 | ILE | 0 | -0.045 | -0.021 | 60.726 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 225 | GLU | -1 | -0.916 | -0.969 | 64.045 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 226 | ASP | -1 | -0.924 | -0.950 | 66.740 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 227 | GLY | 0 | -0.022 | 0.004 | 65.568 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 228 | GLY | 0 | 0.004 | 0.000 | 64.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 229 | VAL | 0 | -0.064 | -0.039 | 58.817 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 230 | GLN | 0 | 0.002 | 0.016 | 59.308 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 231 | LEU | 0 | -0.049 | -0.034 | 54.456 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 232 | ALA | 0 | 0.051 | 0.024 | 54.054 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 233 | ASP | -1 | -0.818 | -0.876 | 50.661 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 234 | HIS | 0 | 0.019 | 0.025 | 47.755 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 235 | TYR | 0 | -0.047 | -0.051 | 46.100 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 236 | GLN | 0 | 0.006 | -0.008 | 40.781 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 237 | GLN | 0 | -0.022 | -0.025 | 40.294 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 238 | ASN | 0 | 0.000 | 0.006 | 37.307 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 239 | THR | 0 | -0.003 | 0.000 | 35.898 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 240 | PRO | 0 | -0.005 | 0.007 | 31.770 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 241 | ILE | 0 | -0.020 | 0.000 | 34.538 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 242 | GLY | 0 | 0.022 | 0.015 | 32.712 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 243 | ASP | -1 | -0.928 | -0.967 | 29.221 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 244 | GLY | 0 | -0.079 | -0.026 | 26.559 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 245 | PRO | 0 | -0.048 | -0.019 | 22.671 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 246 | VAL | 0 | 0.048 | 0.011 | 25.410 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 247 | LEU | 0 | -0.060 | -0.034 | 23.945 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 248 | LEU | 0 | -0.035 | -0.029 | 26.346 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 249 | PRO | 0 | -0.048 | -0.002 | 27.281 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 250 | ASP | -1 | -0.912 | -0.957 | 26.280 | -0.285 | -0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 251 | ASN | 0 | -0.057 | -0.052 | 29.497 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 252 | HIS | 0 | -0.004 | 0.025 | 32.060 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 253 | TYR | 0 | -0.009 | -0.007 | 34.309 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 254 | LEU | 0 | 0.038 | 0.024 | 36.194 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 255 | SER | 0 | -0.009 | -0.012 | 39.099 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 256 | TYR | 0 | 0.030 | 0.021 | 41.664 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 257 | GLN | 0 | -0.038 | -0.007 | 44.521 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 258 | SER | 0 | -0.008 | -0.034 | 47.185 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 259 | LYS | 1 | 0.939 | 0.981 | 49.844 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 260 | LEU | 0 | 0.022 | 0.019 | 52.830 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 261 | SER | 0 | -0.073 | -0.045 | 55.530 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 262 | LYS | 1 | 0.905 | 0.951 | 57.878 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 263 | ASP | -1 | -0.765 | -0.879 | 59.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 264 | PRO | 0 | -0.038 | -0.031 | 60.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 265 | ASN | 0 | -0.023 | -0.014 | 62.889 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 266 | GLU | -1 | -0.826 | -0.853 | 61.136 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 267 | LYS | 1 | 0.966 | 0.966 | 63.895 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 268 | ARG | 1 | 0.859 | 0.917 | 61.098 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 269 | ASP | -1 | -0.797 | -0.906 | 63.690 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 270 | HIS | 0 | -0.003 | 0.003 | 59.023 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 271 | MET | 0 | -0.017 | 0.009 | 53.539 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 272 | VAL | 0 | -0.010 | 0.007 | 54.062 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 273 | LEU | 0 | -0.017 | -0.011 | 49.619 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 274 | LEU | 0 | -0.015 | 0.003 | 47.525 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 275 | GLU | -1 | -0.775 | -0.894 | 45.710 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 276 | PHE | 0 | -0.005 | 0.006 | 42.845 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 277 | VAL | 0 | 0.009 | 0.004 | 39.336 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 278 | THR | 0 | 0.008 | 0.002 | 36.315 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 279 | ALA | 0 | -0.016 | 0.014 | 33.438 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 280 | ALA | 0 | -0.018 | 0.001 | 34.348 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 281 | GLY | 0 | -0.044 | -0.024 | 32.395 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |