![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 9GZ52
Calculation Name: 3LZC-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3LZC
Chain ID: A
UniProt ID: O58832
Base Structure: X-ray
Registration Date: 2023-06-19
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 | 342 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -5309703.592334 |
---|---|
FMO2-HF: Nuclear repulsion | 5176672.772577 |
FMO2-HF: Total energy | -133030.819756 |
FMO2-MP2: Total energy | -133424.676594 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F021181/ligand_interaction/ligand_F021181.png)
Ligand Interaction
![ligand interaction](./Kdata/F021181/ligand_interaction/ligand_interaction_F021181.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A: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. |
-17.501 | -12.344 | 1.48 | -2.892 | -3.748 | -0.035 |
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 | HIS | 0 | -0.091 | -0.061 | 3.165 | -0.585 | 1.298 | 0.092 | -0.564 | -1.411 | -0.001 |
4 | A | 4 | GLU | -1 | -0.917 | -0.956 | 2.328 | -14.911 | -11.928 | 1.390 | -2.283 | -2.091 | -0.034 |
5 | A | 5 | ILE | 0 | 0.003 | 0.000 | 5.561 | -0.729 | -0.729 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | PRO | 0 | 0.089 | 0.056 | 4.713 | 0.081 | 0.176 | -0.001 | -0.008 | -0.087 | 0.000 |
7 | A | 7 | LYS | 1 | 0.906 | 0.953 | 6.313 | 1.931 | 1.931 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | SER | 0 | 0.048 | 0.015 | 8.066 | 0.305 | 0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | GLU | -1 | -0.943 | -0.966 | 4.165 | -4.294 | -4.098 | -0.001 | -0.037 | -0.159 | 0.000 |
10 | A | 10 | ILE | 0 | 0.011 | 0.001 | 8.726 | 0.402 | 0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | LEU | 0 | 0.014 | 0.012 | 11.253 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | LYS | 1 | 0.929 | 0.963 | 9.956 | 1.435 | 1.435 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | GLU | -1 | -0.891 | -0.967 | 12.031 | -0.604 | -0.604 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | LEU | 0 | 0.005 | 0.013 | 14.571 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | LYS | 1 | 0.951 | 0.973 | 16.650 | 0.670 | 0.670 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | ARG | 1 | 0.853 | 0.938 | 13.722 | 0.681 | 0.681 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | ILE | 0 | -0.057 | -0.025 | 18.787 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | GLY | 0 | -0.012 | 0.007 | 20.918 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | ALA | 0 | -0.056 | -0.023 | 20.327 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | LYS | 1 | 0.905 | 0.946 | 21.744 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | ARG | 1 | 0.803 | 0.890 | 23.975 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | VAL | 0 | -0.003 | 0.003 | 18.859 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | LEU | 0 | 0.021 | 0.018 | 22.069 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | ILE | 0 | 0.018 | 0.008 | 16.924 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | GLN | 0 | 0.028 | 0.009 | 19.798 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | SER | 0 | 0.035 | 0.010 | 18.261 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | PRO | 0 | -0.007 | 0.004 | 17.599 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | GLU | -1 | -0.839 | -0.925 | 19.865 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | GLY | 0 | -0.038 | -0.024 | 18.367 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | LEU | 0 | 0.001 | 0.010 | 13.146 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | ARG | 1 | 0.830 | 0.925 | 16.731 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | ARG | 1 | 0.994 | 0.985 | 17.489 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | GLU | -1 | -0.847 | -0.925 | 12.499 | -0.552 | -0.552 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | ALA | 0 | -0.037 | -0.031 | 14.653 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | GLU | -1 | -0.904 | -0.952 | 16.820 | -0.471 | -0.471 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | GLU | -1 | -0.869 | -0.917 | 13.093 | -0.808 | -0.808 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | LEU | 0 | -0.072 | -0.043 | 12.165 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | ALA | 0 | 0.006 | -0.007 | 14.548 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | GLY | 0 | 0.089 | 0.049 | 18.261 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | PHE | 0 | 0.024 | 0.007 | 12.894 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | LEU | 0 | -0.040 | -0.039 | 14.571 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | GLU | -1 | -0.854 | -0.928 | 17.490 | -0.359 | -0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | GLU | -1 | -0.964 | -0.972 | 17.877 | -0.566 | -0.566 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | ASN | 0 | -0.122 | -0.059 | 16.664 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | ASN | 0 | -0.094 | -0.054 | 19.791 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | ILE | 0 | -0.038 | -0.018 | 18.161 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | GLU | -1 | -0.861 | -0.915 | 21.916 | -0.295 | -0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | VAL | 0 | -0.007 | -0.004 | 19.610 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | PHE | 0 | -0.006 | 0.012 | 22.711 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | LEU | 0 | 0.040 | 0.011 | 20.181 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | HIS | 0 | -0.016 | -0.026 | 22.949 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | GLY | 0 | 0.030 | 0.010 | 24.365 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | GLU | -1 | -0.933 | -0.958 | 27.040 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | ILE | 0 | -0.008 | 0.005 | 24.124 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | ASN | 0 | 0.001 | -0.003 | 21.347 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | TYR | 0 | -0.026 | -0.043 | 23.030 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | GLY | 0 | -0.020 | -0.023 | 20.953 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | ALA | 0 | 0.047 | 0.034 | 18.726 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | CYS | 0 | -0.090 | -0.038 | 20.842 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | ASP | -1 | -0.885 | -0.957 | 23.785 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | PRO | 0 | -0.013 | 0.026 | 22.386 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | ALA | 0 | 0.043 | 0.030 | 23.687 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | ASP | -1 | -0.723 | -0.855 | 24.423 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | ARG | 1 | 0.903 | 0.947 | 26.011 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | GLU | -1 | -0.865 | -0.938 | 28.155 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | ALA | 0 | 0.016 | 0.009 | 25.163 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | LYS | 1 | 0.938 | 0.966 | 27.126 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | LEU | 0 | -0.062 | -0.032 | 29.788 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | VAL | 0 | -0.009 | 0.005 | 28.523 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | GLY | 0 | 0.012 | 0.001 | 30.308 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | CYS | 0 | -0.078 | -0.009 | 24.616 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | ASP | -1 | -0.801 | -0.884 | 23.644 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | ALA | 0 | -0.044 | -0.037 | 20.101 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | LEU | 0 | -0.043 | -0.012 | 20.427 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | ILE | 0 | 0.029 | 0.013 | 14.828 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | HIS | 0 | -0.036 | -0.020 | 16.638 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | LEU | 0 | 0.040 | 0.014 | 12.861 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | GLY | 0 | 0.015 | 0.009 | 13.705 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | HIS | 1 | 0.776 | 0.880 | 14.859 | 0.348 | 0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | SER | 0 | 0.048 | 0.012 | 13.307 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | TYR | 0 | -0.004 | 0.009 | 14.859 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | MET | 0 | -0.005 | 0.025 | 17.423 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | LYS | 1 | 0.975 | 0.976 | 20.777 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | LEU | 0 | -0.034 | -0.013 | 23.431 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | PRO | 0 | -0.014 | 0.008 | 24.663 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | LEU | 0 | 0.021 | -0.007 | 21.401 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | GLU | -1 | -0.977 | -1.017 | 25.757 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | VAL | 0 | 0.010 | 0.020 | 23.435 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | PRO | 0 | 0.012 | 0.007 | 20.951 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | THR | 0 | -0.028 | -0.009 | 18.138 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | ILE | 0 | 0.037 | 0.022 | 12.995 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | PHE | 0 | -0.057 | -0.032 | 14.043 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | VAL | 0 | 0.040 | 0.012 | 9.590 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | PRO | 0 | -0.027 | -0.005 | 9.382 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | ALA | 0 | 0.029 | 0.025 | 9.601 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | PHE | 0 | 0.006 | -0.006 | 6.945 | 0.328 | 0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | ALA | 0 | -0.003 | 0.009 | 9.898 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | ARG | 1 | 0.974 | 0.961 | 6.182 | -1.308 | -1.308 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | VAL | 0 | -0.040 | -0.002 | 10.902 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | SER | 0 | -0.014 | -0.005 | 13.771 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | VAL | 0 | 0.039 | -0.004 | 14.645 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | VAL | 0 | 0.024 | 0.011 | 17.152 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | GLU | -1 | -0.844 | -0.915 | 17.948 | 0.635 | 0.635 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | ALA | 0 | 0.006 | -0.002 | 20.790 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | LEU | 0 | -0.048 | -0.017 | 20.633 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | LYS | 1 | 0.936 | 0.959 | 21.703 | -0.536 | -0.536 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | GLU | -1 | -0.965 | -0.976 | 25.218 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | ASN | 0 | -0.031 | -0.017 | 26.493 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | ILE | 0 | 0.040 | 0.026 | 26.767 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | GLY | 0 | -0.001 | -0.007 | 29.125 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | GLU | -1 | -0.804 | -0.920 | 31.186 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | ILE | 0 | 0.004 | -0.005 | 25.911 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | LYS | 1 | 0.989 | 0.997 | 30.182 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | LYS | 1 | 0.823 | 0.936 | 32.706 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | LEU | 0 | -0.019 | -0.008 | 29.488 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | GLY | 0 | -0.011 | 0.015 | 33.434 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | ARG | 1 | 0.930 | 0.957 | 32.396 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | LYS | 1 | 0.895 | 0.949 | 29.951 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | ILE | 0 | -0.005 | -0.001 | 26.292 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | ILE | 0 | -0.021 | 0.002 | 26.400 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | VAL | 0 | 0.013 | 0.021 | 21.072 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | THR | 0 | -0.049 | -0.029 | 21.623 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | THR | 0 | 0.026 | -0.007 | 16.706 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | THR | 0 | -0.011 | -0.005 | 18.333 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | ALA | 0 | 0.034 | -0.007 | 14.438 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | GLN | 0 | 0.009 | 0.020 | 12.923 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | HIS | 0 | 0.065 | 0.027 | 12.797 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | ILE | 0 | 0.004 | 0.017 | 11.543 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | HIS | 0 | -0.028 | -0.028 | 8.549 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | GLN | 0 | 0.106 | 0.068 | 10.559 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | LEU | 0 | -0.049 | -0.012 | 12.917 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | LYS | 1 | 0.833 | 0.929 | 10.957 | -1.282 | -1.282 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | GLU | -1 | -0.818 | -0.914 | 11.365 | 1.492 | 1.492 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | ALA | 0 | -0.024 | -0.006 | 15.355 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | LYS | 1 | 0.899 | 0.944 | 18.072 | -0.504 | -0.504 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | GLU | -1 | -0.904 | -0.954 | 17.402 | 0.504 | 0.504 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | PHE | 0 | 0.037 | 0.017 | 19.371 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | LEU | 0 | -0.024 | -0.012 | 21.155 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | GLU | -1 | -0.884 | -0.948 | 22.419 | 0.369 | 0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | SER | 0 | -0.063 | -0.013 | 23.024 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | GLU | -1 | -0.946 | -0.977 | 25.088 | 0.303 | 0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | GLY | 0 | -0.064 | -0.036 | 27.544 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | PHE | 0 | -0.107 | -0.047 | 26.715 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | GLU | -1 | -0.862 | -0.919 | 27.524 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | VAL | 0 | 0.019 | 0.001 | 22.052 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | SER | 0 | -0.074 | -0.036 | 24.653 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | ILE | 0 | 0.033 | 0.008 | 19.222 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | GLY | 0 | 0.001 | 0.011 | 23.134 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | ARG | 1 | 0.905 | 0.935 | 20.680 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | GLY | 0 | 0.051 | 0.027 | 21.649 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | ASP | -1 | -0.780 | -0.877 | 24.062 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | SER | 0 | -0.062 | -0.045 | 23.279 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | ARG | 1 | 0.858 | 0.905 | 23.014 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | ILE | 0 | -0.096 | -0.024 | 19.589 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | SER | 0 | 0.022 | 0.006 | 15.449 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | TRP | 0 | -0.010 | -0.012 | 11.222 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | PRO | 0 | 0.005 | -0.002 | 16.582 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | GLY | 0 | 0.052 | 0.024 | 17.780 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | GLN | 0 | 0.014 | 0.014 | 17.235 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | VAL | 0 | -0.027 | -0.010 | 19.192 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | LEU | 0 | 0.001 | -0.008 | 20.240 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | GLY | 0 | 0.007 | 0.006 | 23.147 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | CYS | 0 | -0.047 | -0.025 | 26.180 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | ASN | 0 | -0.024 | -0.022 | 25.287 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | TYR | 0 | 0.092 | 0.046 | 25.306 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | SER | 0 | 0.023 | 0.003 | 25.691 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | VAL | 0 | -0.046 | -0.006 | 21.340 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | ALA | 0 | 0.035 | 0.010 | 24.735 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | LYS | 1 | 0.828 | 0.937 | 27.449 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | VAL | 0 | 0.034 | 0.020 | 27.131 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | ARG | 1 | 0.939 | 0.967 | 30.262 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | GLY | 0 | 0.021 | -0.016 | 30.574 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | GLU | -1 | -0.873 | -0.921 | 32.057 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | GLY | 0 | 0.039 | 0.014 | 32.108 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | ILE | 0 | -0.031 | -0.005 | 27.108 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | LEU | 0 | 0.060 | 0.026 | 23.592 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | PHE | 0 | -0.030 | -0.022 | 22.480 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | ILE | 0 | 0.045 | 0.026 | 19.223 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | GLY | 0 | 0.001 | 0.004 | 20.268 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | SER | 0 | 0.023 | 0.014 | 21.453 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | GLY | 0 | -0.033 | -0.013 | 23.628 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | ILE | 0 | 0.037 | 0.012 | 26.581 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | PHE | 0 | 0.004 | -0.016 | 27.706 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | HIS | 0 | 0.035 | 0.018 | 22.881 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | PRO | 0 | 0.044 | 0.040 | 26.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | LEU | 0 | 0.016 | 0.005 | 28.472 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | GLY | 0 | 0.013 | -0.002 | 30.131 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | LEU | 0 | -0.007 | -0.005 | 25.835 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | ALA | 0 | 0.028 | 0.035 | 30.010 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | VAL | 0 | -0.032 | -0.013 | 33.373 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | ALA | 0 | -0.032 | -0.005 | 31.605 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | THR | 0 | -0.083 | -0.067 | 30.890 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | ARG | 1 | 0.847 | 0.927 | 34.069 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | LYS | 1 | 0.865 | 0.944 | 32.763 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | LYS | 1 | 0.866 | 0.925 | 34.579 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | VAL | 0 | -0.017 | -0.008 | 29.155 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | LEU | 0 | -0.004 | 0.020 | 28.977 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | ALA | 0 | -0.040 | -0.030 | 26.903 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | ILE | 0 | 0.036 | 0.006 | 23.649 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | ASP | -1 | -0.817 | -0.895 | 22.990 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | PRO | 0 | 0.000 | -0.017 | 18.416 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | TYR | 0 | -0.034 | -0.019 | 16.461 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | THR | 0 | -0.013 | -0.021 | 21.128 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | LYS | 1 | 0.960 | 0.991 | 22.779 | -0.356 | -0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | ALA | 0 | 0.017 | 0.035 | 25.158 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | PHE | 0 | 0.010 | -0.006 | 27.143 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | SER | 0 | -0.028 | -0.019 | 29.546 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | TRP | 0 | -0.009 | 0.001 | 31.465 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | ILE | 0 | -0.038 | -0.018 | 30.772 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | ASP | -1 | -0.780 | -0.885 | 34.270 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | PRO | 0 | -0.008 | -0.013 | 36.484 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | GLU | -1 | -0.771 | -0.853 | 37.945 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | ARG | 1 | 0.868 | 0.908 | 37.386 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | PHE | 0 | -0.050 | -0.023 | 36.671 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | ILE | 0 | 0.065 | 0.015 | 39.477 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | ARG | 1 | 0.915 | 0.935 | 41.527 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | LYS | 1 | 0.918 | 0.962 | 39.233 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | ARG | 1 | 0.792 | 0.876 | 39.082 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | TRP | 0 | 0.066 | 0.036 | 42.884 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | ALA | 0 | -0.001 | 0.007 | 46.409 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | GLN | 0 | -0.043 | -0.025 | 43.115 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | ILE | 0 | 0.028 | 0.011 | 44.483 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | ALA | 0 | -0.005 | 0.000 | 47.535 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | LYS | 1 | 0.932 | 0.962 | 47.347 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | ALA | 0 | -0.011 | 0.003 | 48.297 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | MET | 0 | -0.041 | -0.024 | 50.415 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | ASP | -1 | -0.870 | -0.930 | 53.340 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | ALA | 0 | -0.050 | 0.002 | 51.936 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | LYS | 1 | 0.904 | 0.950 | 53.914 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | LYS | 1 | 0.880 | 0.971 | 53.175 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | PHE | 0 | 0.044 | 0.012 | 47.422 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | GLY | 0 | -0.001 | 0.004 | 46.487 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | VAL | 0 | -0.041 | -0.031 | 42.911 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | ILE | 0 | 0.019 | 0.009 | 38.386 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | VAL | 0 | -0.013 | -0.003 | 37.519 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | SER | 0 | 0.005 | -0.010 | 33.047 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | ILE | 0 | -0.002 | -0.021 | 34.049 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | LYS | 1 | 0.833 | 0.931 | 28.656 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | LYS | 1 | 0.841 | 0.894 | 27.429 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | GLY | 0 | 0.019 | 0.019 | 26.885 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | GLN | 0 | -0.053 | -0.058 | 27.884 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | LEU | 0 | 0.003 | 0.026 | 30.768 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | ARG | 1 | 0.834 | 0.901 | 33.388 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | LEU | 0 | 0.037 | 0.016 | 36.270 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | ALA | 0 | -0.006 | -0.012 | 39.433 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | GLU | -1 | -0.821 | -0.927 | 38.537 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | ALA | 0 | 0.030 | 0.031 | 40.419 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | LYS | 1 | 0.968 | 0.955 | 41.996 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | ARG | 1 | 0.866 | 0.956 | 42.705 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | ILE | 0 | 0.048 | 0.029 | 42.706 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | VAL | 0 | -0.005 | 0.003 | 45.774 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | LYS | 1 | 0.929 | 0.961 | 48.155 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | LEU | 0 | -0.007 | -0.003 | 47.645 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | LEU | 0 | 0.028 | 0.007 | 47.559 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | LYS | 1 | 0.951 | 0.984 | 51.262 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | LYS | 1 | 0.852 | 0.949 | 53.575 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | HIS | 0 | 0.011 | -0.003 | 53.549 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | GLY | 0 | 0.016 | 0.008 | 55.577 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | ARG | 1 | 0.916 | 0.982 | 52.911 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | GLU | -1 | -0.910 | -0.966 | 54.436 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | ALA | 0 | -0.021 | -0.018 | 49.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | ARG | 1 | 0.913 | 0.957 | 47.957 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | LEU | 0 | -0.029 | -0.005 | 42.321 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | ILE | 0 | -0.025 | -0.011 | 42.451 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | VAL | 0 | 0.014 | 0.009 | 39.149 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | MET | 0 | 0.000 | 0.014 | 37.510 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | ASN | 0 | 0.084 | 0.046 | 31.869 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | ASP | -1 | -0.815 | -0.893 | 31.430 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | VAL | 0 | -0.015 | -0.028 | 34.023 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | ASN | 0 | -0.010 | -0.025 | 35.705 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | TYR | 0 | 0.107 | 0.043 | 38.183 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | HIS | 0 | 0.023 | 0.018 | 41.199 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | LYS | 1 | 0.909 | 0.954 | 36.859 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | LEU | 0 | -0.066 | -0.051 | 41.757 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | GLU | -1 | -0.906 | -0.934 | 45.142 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | GLY | 0 | 0.021 | 0.022 | 47.696 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | PHE | 0 | -0.059 | -0.029 | 45.693 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | PRO | 0 | -0.009 | -0.023 | 50.485 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | PHE | 0 | -0.060 | -0.019 | 48.276 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | GLU | -1 | -0.750 | -0.908 | 50.619 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | ALA | 0 | 0.029 | 0.012 | 47.778 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | TYR | 0 | -0.007 | -0.005 | 43.249 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | VAL | 0 | 0.009 | 0.012 | 41.566 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | VAL | 0 | 0.007 | 0.011 | 36.291 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | VAL | 0 | -0.006 | -0.003 | 37.201 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | ALA | 0 | 0.031 | 0.001 | 33.498 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | CYS | 0 | -0.007 | 0.013 | 28.780 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | PRO | 0 | 0.062 | 0.028 | 30.884 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | ARG | 1 | 0.929 | 0.951 | 25.994 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | VAL | 0 | -0.016 | -0.006 | 31.671 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | PRO | 0 | -0.002 | 0.000 | 34.384 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | LEU | 0 | -0.079 | -0.040 | 34.150 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | ASP | -1 | -0.876 | -0.943 | 31.011 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | ASP | -1 | -0.805 | -0.904 | 34.258 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | TYR | 0 | -0.035 | -0.019 | 31.317 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | GLY | 0 | -0.030 | -0.009 | 37.514 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | ALA | 0 | -0.046 | -0.016 | 38.878 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | TRP | 0 | -0.054 | -0.026 | 37.751 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | ARG | 1 | 0.935 | 0.975 | 42.495 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | LYS | 1 | 0.884 | 0.961 | 45.628 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | PRO | 0 | 0.003 | 0.004 | 45.104 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | VAL | 0 | 0.012 | 0.019 | 40.289 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 303 | LEU | 0 | -0.014 | -0.018 | 41.759 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 304 | THR | 0 | 0.014 | 0.009 | 37.194 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 305 | PRO | 0 | 0.033 | -0.010 | 38.280 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 306 | LYS | 1 | 0.874 | 0.943 | 37.445 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 307 | GLU | -1 | -0.685 | -0.817 | 40.710 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 308 | VAL | 0 | -0.012 | 0.010 | 43.420 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 309 | GLU | -1 | -0.855 | -0.931 | 43.528 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 310 | ILE | 0 | 0.011 | 0.017 | 43.837 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 311 | LEU | 0 | -0.003 | 0.025 | 47.645 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 312 | LEU | 0 | -0.127 | -0.068 | 49.502 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 313 | GLY | 0 | 0.036 | 0.021 | 51.216 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 314 | LEU | 0 | -0.065 | -0.047 | 49.066 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 315 | ARG | 1 | 0.816 | 0.905 | 41.867 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 316 | GLU | -1 | -0.892 | -0.939 | 47.674 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 317 | GLU | -1 | -0.890 | -0.942 | 44.398 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 318 | TYR | 0 | -0.077 | -0.068 | 37.906 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 319 | GLU | -1 | -0.848 | -0.926 | 38.709 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 320 | PHE | 0 | 0.007 | -0.002 | 31.421 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 321 | ASP | -1 | -0.843 | -0.912 | 35.402 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 322 | GLU | -1 | -0.841 | -0.931 | 30.057 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 323 | ILE | 0 | -0.049 | -0.026 | 29.085 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 324 | LEU | 0 | 0.002 | -0.001 | 28.861 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 325 | GLY | 0 | -0.017 | -0.009 | 27.599 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 326 | GLY | 0 | -0.006 | 0.002 | 28.579 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 327 | PRO | 0 | 0.039 | -0.002 | 27.255 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 328 | ARG | 1 | 0.784 | 0.880 | 19.352 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 329 | GLU | -1 | -0.930 | -0.964 | 23.752 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 330 | SER | 0 | 0.004 | 0.002 | 18.401 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 331 | ASP | -1 | -0.842 | -0.916 | 15.765 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 332 | GLU | -1 | -0.802 | -0.895 | 13.226 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 333 | PRO | 0 | 0.021 | 0.012 | 9.016 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 334 | PHE | 0 | 0.006 | -0.013 | 7.137 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 335 | GLY | 0 | 0.078 | 0.028 | 5.492 | 0.446 | 0.446 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 336 | ILE | 0 | -0.020 | 0.003 | 6.467 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 337 | SER | 0 | -0.019 | 0.001 | 9.247 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 338 | ILE | 0 | 0.051 | 0.020 | 12.437 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 339 | HIS | 1 | 0.783 | 0.894 | 15.657 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 340 | SER | 0 | 0.070 | 0.020 | 19.053 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 341 | THR | 0 | -0.058 | -0.006 | 22.676 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 342 | ARG | 1 | 1.007 | 1.010 | 26.219 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |