![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: N227Q
Calculation Name: 5HFN-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5HFN
Chain ID: A
UniProt ID: Q9WXT2
Base Structure: X-ray
Registration Date: 2023-09-27
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 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4251312.157037 |
---|---|
FMO2-HF: Nuclear repulsion | 4137460.484996 |
FMO2-HF: Total energy | -113851.672041 |
FMO2-MP2: Total energy | -114186.40728 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F040887/ligand_interaction/ligand_F040887.png)
Ligand Interaction
![ligand interaction](./Kdata/F040887/ligand_interaction/ligand_interaction_F040887.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:2:ALA)
Summations of interaction energy for
fragment #1(A:2:ALA)
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. |
-3.057 | -0.847 | 2.976 | -2.07 | -3.115 | -0.004 |
Interaction energy analysis for fragmet #1(A:2:ALA)
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 | 4 | PHE | 0 | -0.028 | -0.019 | 3.261 | -2.321 | 0.140 | 0.049 | -1.342 | -1.167 | 0.002 |
4 | A | 5 | ASP | -1 | -0.704 | -0.800 | 5.247 | -0.432 | -0.287 | -0.001 | -0.006 | -0.138 | 0.000 |
5 | A | 6 | LEU | 0 | -0.015 | -0.012 | 9.011 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 7 | PRO | 0 | 0.057 | 0.034 | 10.833 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 8 | LEU | 0 | 0.019 | -0.005 | 11.713 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 9 | GLU | -1 | -0.838 | -0.910 | 13.420 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 10 | GLU | -1 | -0.909 | -0.966 | 15.317 | -0.408 | -0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 11 | LEU | 0 | -0.025 | 0.000 | 11.555 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 12 | LYS | 1 | 0.916 | 0.957 | 16.166 | 0.403 | 0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 13 | LYS | 1 | 0.835 | 0.906 | 19.297 | 0.348 | 0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 14 | TYR | 0 | 0.015 | 0.020 | 17.754 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 15 | ARG | 1 | 0.860 | 0.931 | 19.888 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 16 | PRO | 0 | -0.009 | 0.013 | 20.744 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 17 | GLU | -1 | -0.795 | -0.865 | 23.125 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 18 | ARG | 1 | 0.773 | 0.855 | 25.408 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 19 | TYR | 0 | -0.072 | -0.078 | 24.842 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 20 | GLU | -1 | -0.714 | -0.811 | 28.982 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 21 | GLU | -1 | -0.775 | -0.846 | 31.795 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 22 | LYS | 1 | 0.778 | 0.865 | 35.161 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 23 | ASP | -1 | -0.708 | -0.822 | 37.952 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 24 | PHE | 0 | -0.018 | -0.007 | 30.759 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 25 | ASP | -1 | -0.789 | -0.872 | 36.106 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 26 | GLU | -1 | -0.870 | -0.924 | 38.252 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 27 | PHE | 0 | 0.018 | 0.010 | 34.882 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 28 | TRP | 0 | -0.013 | -0.004 | 32.218 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 29 | GLU | -1 | -0.922 | -0.965 | 38.041 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 30 | GLU | -1 | -0.918 | -0.953 | 41.439 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 31 | THR | 0 | -0.057 | -0.052 | 37.118 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 32 | LEU | 0 | -0.019 | -0.003 | 37.481 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 33 | ALA | 0 | 0.095 | 0.052 | 41.058 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 34 | GLU | -1 | -0.813 | -0.840 | 42.427 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 35 | SER | 0 | 0.012 | -0.009 | 41.637 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 36 | GLU | -1 | -0.869 | -0.927 | 42.895 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 37 | LYS | 1 | 0.849 | 0.927 | 45.526 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 38 | PHE | 0 | -0.009 | 0.022 | 46.249 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 39 | PRO | 0 | 0.017 | 0.014 | 47.237 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 40 | LEU | 0 | 0.015 | -0.001 | 42.311 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 41 | ASP | -1 | -0.866 | -0.935 | 45.441 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 42 | PRO | 0 | 0.026 | 0.034 | 44.566 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 43 | VAL | 0 | 0.002 | 0.003 | 45.409 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 44 | PHE | 0 | 0.034 | 0.004 | 41.917 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 45 | GLU | -1 | -0.804 | -0.897 | 44.882 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 46 | ARG | 1 | 0.780 | 0.854 | 44.652 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 47 | MET | 0 | -0.044 | 0.001 | 39.165 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 48 | GLU | -1 | -0.868 | -0.919 | 44.777 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 49 | SER | 0 | -0.023 | -0.029 | 40.591 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 50 | HIS | 0 | 0.070 | 0.028 | 40.464 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 51 | LEU | 0 | -0.010 | 0.017 | 36.551 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 52 | LYS | 1 | 0.844 | 0.908 | 40.574 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 53 | THR | 0 | 0.065 | 0.022 | 38.254 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 54 | VAL | 0 | 0.001 | 0.010 | 37.189 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 55 | GLU | -1 | -0.797 | -0.854 | 40.658 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 56 | ALA | 0 | -0.006 | -0.016 | 39.731 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 57 | TYR | 0 | -0.005 | -0.016 | 40.665 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 58 | ASP | -1 | -0.769 | -0.872 | 39.989 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 59 | VAL | 0 | -0.032 | -0.008 | 39.980 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 60 | THR | 0 | -0.007 | 0.002 | 40.696 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 61 | PHE | 0 | -0.007 | -0.014 | 36.693 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 62 | SER | 0 | -0.047 | -0.013 | 41.987 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 63 | GLY | 0 | 0.020 | 0.019 | 39.402 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 64 | TYR | 0 | -0.043 | -0.070 | 38.015 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 65 | ARG | 1 | 0.749 | 0.836 | 40.100 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 66 | GLY | 0 | 0.050 | 0.025 | 43.541 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 67 | GLN | 0 | -0.018 | 0.005 | 39.721 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 68 | ARG | 1 | 0.801 | 0.887 | 41.946 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 69 | ILE | 0 | -0.016 | 0.008 | 36.612 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 70 | LYS | 1 | 0.829 | 0.907 | 38.112 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 71 | GLY | 0 | 0.009 | -0.003 | 35.867 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 72 | TRP | 0 | -0.034 | -0.028 | 33.461 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 73 | LEU | 0 | 0.001 | 0.008 | 36.531 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 74 | LEU | 0 | -0.038 | -0.014 | 33.972 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 75 | VAL | 0 | 0.054 | 0.020 | 37.800 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 76 | PRO | 0 | -0.001 | 0.013 | 37.827 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 77 | LYS | 1 | 0.819 | 0.906 | 39.978 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 78 | LEU | 0 | -0.011 | -0.010 | 39.442 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 79 | GLU | -1 | -0.901 | -0.951 | 44.081 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 80 | GLU | -1 | -0.850 | -0.923 | 41.803 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 81 | GLU | -1 | -0.923 | -0.955 | 45.710 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 82 | LYS | 1 | 0.757 | 0.852 | 44.758 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 83 | LEU | 0 | 0.025 | 0.031 | 40.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 84 | PRO | 0 | 0.004 | 0.011 | 36.433 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 85 | CYS | 0 | -0.064 | -0.042 | 36.483 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 86 | VAL | 0 | 0.006 | 0.007 | 29.786 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 87 | VAL | 0 | 0.012 | 0.006 | 32.820 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 88 | GLN | 0 | -0.022 | -0.014 | 25.702 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 89 | TYR | 0 | 0.006 | -0.009 | 27.231 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 90 | ILE | 0 | -0.037 | 0.000 | 25.623 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 91 | GLY | 0 | 0.006 | -0.017 | 23.564 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 92 | TYR | 0 | -0.041 | -0.042 | 19.834 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 93 | ASN | 0 | 0.069 | 0.022 | 21.026 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 94 | GLY | 0 | -0.005 | 0.006 | 23.815 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 95 | GLY | 0 | 0.044 | 0.028 | 26.754 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 96 | ARG | 1 | 0.784 | 0.866 | 28.628 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 97 | GLY | 0 | 0.014 | 0.028 | 30.249 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 98 | PHE | 0 | -0.019 | -0.022 | 31.021 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 99 | PRO | 0 | 0.022 | -0.002 | 32.826 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 100 | HIS | 0 | -0.026 | -0.020 | 31.208 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 101 | ASP | -1 | -0.822 | -0.900 | 28.569 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 102 | TRP | 0 | -0.036 | -0.027 | 26.221 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 103 | LEU | 0 | 0.009 | -0.003 | 30.402 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 104 | PHE | 0 | -0.021 | 0.014 | 26.684 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 105 | TRP | 0 | 0.068 | 0.020 | 26.761 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 106 | PRO | 0 | 0.026 | 0.014 | 31.635 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 107 | SER | 0 | -0.054 | -0.040 | 32.238 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 108 | MET | 0 | -0.074 | -0.022 | 28.409 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 109 | GLY | 0 | 0.013 | 0.009 | 33.253 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 110 | TYR | 0 | -0.026 | -0.024 | 33.119 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 111 | ILE | 0 | 0.005 | -0.001 | 35.669 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 112 | CYS | 0 | -0.030 | -0.005 | 31.674 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 113 | PHE | 0 | 0.028 | 0.010 | 34.337 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 114 | VAL | 0 | -0.008 | 0.006 | 30.275 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 115 | MET | 0 | -0.018 | 0.008 | 31.521 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 116 | ASP | -1 | -0.777 | -0.888 | 31.208 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 117 | THR | 0 | -0.079 | -0.044 | 28.262 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 156 | TYR | 0 | 0.015 | 0.001 | 27.677 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 157 | TYR | 0 | 0.040 | -0.017 | 25.159 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 158 | ARG | 1 | 0.832 | 0.926 | 30.865 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 159 | ARG | 1 | 0.790 | 0.900 | 34.465 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 160 | VAL | 0 | 0.006 | 0.002 | 29.218 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 161 | PHE | 0 | 0.051 | 0.011 | 27.318 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 162 | THR | 0 | 0.005 | 0.005 | 32.500 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 163 | ASP | -1 | -0.780 | -0.892 | 34.495 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 164 | ALA | 0 | 0.017 | 0.003 | 31.550 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 165 | VAL | 0 | 0.034 | 0.020 | 33.523 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 166 | ARG | 1 | 0.814 | 0.898 | 35.970 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 167 | ALA | 0 | 0.025 | 0.015 | 34.950 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 168 | VAL | 0 | -0.027 | -0.004 | 34.800 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 169 | GLU | -1 | -0.860 | -0.918 | 37.435 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 170 | ALA | 0 | -0.001 | 0.004 | 39.681 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 171 | ALA | 0 | 0.017 | 0.016 | 37.692 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 172 | ALA | 0 | -0.023 | -0.017 | 39.828 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 173 | SER | 0 | -0.078 | -0.043 | 42.143 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 174 | PHE | 0 | 0.046 | 0.026 | 42.911 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 175 | PRO | 0 | 0.031 | 0.012 | 44.817 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 176 | GLN | 0 | 0.012 | 0.008 | 44.350 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 177 | VAL | 0 | -0.007 | 0.003 | 40.273 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 178 | ASP | -1 | -0.801 | -0.881 | 41.122 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 179 | GLN | 0 | -0.017 | -0.043 | 40.719 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 180 | GLU | -1 | -0.822 | -0.890 | 40.724 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 181 | ARG | 1 | 0.730 | 0.857 | 37.702 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 182 | ILE | 0 | -0.006 | 0.020 | 35.842 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 183 | VAL | 0 | -0.022 | -0.010 | 30.202 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 184 | ILE | 0 | -0.034 | -0.002 | 29.905 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 185 | ALA | 0 | 0.038 | 0.003 | 26.823 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 186 | GLY | 0 | 0.032 | 0.008 | 24.442 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 187 | GLY | 0 | 0.076 | 0.044 | 20.104 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 188 | SER | 0 | 0.011 | 0.014 | 17.936 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 189 | GLN | 0 | 0.028 | 0.036 | 19.076 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 190 | GLY | 0 | 0.014 | 0.015 | 22.252 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 191 | GLY | 0 | 0.019 | 0.020 | 21.805 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 192 | GLY | 0 | 0.050 | 0.018 | 22.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 193 | ILE | 0 | -0.017 | -0.014 | 23.583 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 194 | ALA | 0 | 0.000 | 0.003 | 25.827 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 195 | LEU | 0 | 0.007 | 0.001 | 23.350 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 196 | ALA | 0 | 0.023 | 0.032 | 26.726 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 197 | VAL | 0 | 0.007 | -0.007 | 29.349 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 198 | SER | 0 | -0.068 | -0.057 | 29.210 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 199 | ALA | 0 | -0.040 | -0.022 | 31.430 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 200 | LEU | 0 | -0.025 | 0.001 | 33.092 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 201 | SER | 0 | 0.007 | 0.003 | 35.219 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 202 | LYS | 1 | 0.802 | 0.876 | 36.927 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 203 | LYS | 1 | 0.915 | 0.949 | 38.680 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 204 | ALA | 0 | 0.010 | 0.022 | 33.886 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 205 | LYS | 1 | 0.791 | 0.889 | 35.420 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 206 | ALA | 0 | 0.004 | 0.003 | 31.177 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 207 | LEU | 0 | -0.025 | -0.006 | 26.082 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 208 | LEU | 0 | -0.020 | -0.005 | 24.981 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 209 | CYS | 0 | -0.045 | -0.025 | 22.600 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 210 | ASP | -1 | -0.733 | -0.839 | 18.402 | -0.285 | -0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 211 | VAL | 0 | -0.038 | -0.022 | 13.556 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 212 | PRO | 0 | 0.012 | 0.012 | 16.149 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 213 | PHE | 0 | 0.040 | -0.013 | 17.866 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 214 | LEU | 0 | -0.046 | -0.014 | 19.230 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 215 | CYS | 0 | -0.037 | -0.002 | 19.172 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 216 | HIS | 0 | 0.034 | -0.005 | 18.639 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 217 | PHE | 0 | 0.034 | 0.018 | 18.965 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 218 | ARG | 1 | 0.943 | 0.978 | 19.026 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 219 | ARG | 1 | 0.817 | 0.900 | 12.753 | 0.703 | 0.703 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 220 | ALA | 0 | 0.049 | 0.013 | 14.439 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 221 | VAL | 0 | -0.030 | -0.019 | 14.378 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 222 | GLN | 0 | -0.042 | 0.001 | 14.987 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 223 | LEU | 0 | -0.053 | -0.025 | 9.889 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 224 | VAL | 0 | -0.051 | -0.018 | 9.067 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 225 | ASP | -1 | -0.928 | -0.956 | 10.946 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 226 | THR | 0 | -0.019 | -0.030 | 10.761 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 227 | HIS | 0 | -0.090 | -0.038 | 13.651 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 228 | PRO | 0 | 0.059 | 0.011 | 15.599 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 229 | TYR | 0 | 0.048 | 0.009 | 15.348 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 230 | ALA | 0 | 0.016 | 0.014 | 15.808 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 231 | GLU | -1 | -0.856 | -0.920 | 17.729 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 232 | ILE | 0 | 0.001 | 0.005 | 20.842 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 233 | THR | 0 | 0.043 | 0.017 | 17.179 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 234 | ASN | 0 | 0.016 | -0.009 | 19.351 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 235 | PHE | 0 | 0.027 | 0.020 | 22.279 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 236 | LEU | 0 | 0.017 | 0.012 | 22.926 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 237 | LYS | 1 | 0.887 | 0.950 | 18.089 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 238 | THR | 0 | -0.059 | -0.016 | 24.417 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 239 | HIS | 0 | -0.075 | -0.048 | 27.949 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 240 | ARG | 1 | 0.975 | 0.985 | 27.063 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 241 | ASP | -1 | -0.825 | -0.891 | 28.805 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 242 | LYS | 1 | 0.820 | 0.893 | 30.181 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 243 | GLU | -1 | -0.890 | -0.945 | 24.401 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 244 | GLU | -1 | -0.866 | -0.912 | 27.902 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 245 | ILE | 0 | 0.082 | 0.031 | 30.266 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 246 | VAL | 0 | -0.010 | 0.015 | 25.952 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 247 | PHE | 0 | 0.013 | -0.014 | 21.636 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 248 | ARG | 1 | 0.764 | 0.862 | 27.184 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 249 | THR | 0 | -0.022 | -0.005 | 30.292 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 250 | LEU | 0 | -0.023 | -0.026 | 24.008 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 251 | SER | 0 | -0.060 | -0.031 | 27.573 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 252 | TYR | 0 | -0.033 | -0.037 | 28.922 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 253 | PHE | 0 | -0.039 | -0.042 | 27.836 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 254 | ASP | -1 | -0.781 | -0.875 | 23.418 | -0.295 | -0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 255 | GLY | 0 | 0.066 | 0.008 | 23.918 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 256 | VAL | 0 | -0.032 | -0.032 | 22.332 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 257 | ASN | 0 | -0.050 | -0.024 | 25.088 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 258 | PHE | 0 | 0.017 | 0.032 | 27.734 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 259 | ALA | 0 | -0.002 | 0.004 | 25.682 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 260 | ALA | 0 | 0.017 | 0.008 | 27.814 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 261 | ARG | 1 | 0.701 | 0.784 | 30.284 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 262 | ALA | 0 | 0.017 | 0.014 | 30.059 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 263 | LYS | 1 | 0.810 | 0.896 | 32.174 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 264 | ILE | 0 | 0.005 | 0.025 | 31.523 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 265 | PRO | 0 | 0.007 | 0.019 | 31.217 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 266 | ALA | 0 | -0.001 | -0.001 | 26.562 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 267 | LEU | 0 | -0.023 | 0.001 | 22.468 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 268 | PHE | 0 | 0.022 | 0.002 | 20.097 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 269 | SER | 0 | -0.057 | -0.060 | 16.635 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 270 | VAL | 0 | 0.004 | 0.007 | 12.328 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 271 | GLY | 0 | 0.067 | 0.041 | 10.297 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 272 | LEU | 0 | -0.077 | -0.040 | 7.620 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 273 | MET | 0 | -0.009 | -0.001 | 2.758 | -1.298 | -1.694 | 2.928 | -0.722 | -1.810 | -0.006 |
235 | A | 274 | ASP | -1 | -0.735 | -0.847 | 5.425 | -0.529 | -0.529 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 275 | ASN | 0 | 0.024 | 0.016 | 6.207 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 276 | ILE | 0 | -0.028 | 0.007 | 8.221 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 277 | CYS | 0 | -0.117 | -0.054 | 11.719 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 278 | PRO | 0 | 0.060 | 0.054 | 10.343 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 279 | PRO | 0 | 0.031 | 0.037 | 8.911 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 280 | SER | 0 | -0.012 | -0.043 | 12.015 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 281 | THR | 0 | -0.064 | -0.049 | 14.491 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 282 | VAL | 0 | 0.030 | 0.020 | 14.984 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 283 | PHE | 0 | -0.012 | -0.025 | 13.976 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 284 | ALA | 0 | -0.002 | 0.014 | 17.787 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 285 | ALA | 0 | 0.032 | 0.013 | 20.177 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 286 | TYR | 0 | 0.026 | 0.011 | 20.239 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 287 | ASN | 0 | -0.046 | -0.043 | 19.650 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 288 | TYR | 0 | -0.060 | -0.054 | 23.268 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 289 | TYR | 0 | -0.073 | -0.029 | 25.206 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 290 | ALA | 0 | -0.009 | 0.014 | 27.033 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 291 | GLY | 0 | 0.073 | 0.045 | 30.107 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 292 | PRO | 0 | -0.043 | -0.023 | 29.953 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 293 | LYS | 1 | 0.813 | 0.896 | 25.351 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 294 | GLU | -1 | -0.759 | -0.841 | 23.825 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 295 | ILE | 0 | -0.019 | -0.005 | 17.440 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 296 | ARG | 1 | 0.733 | 0.857 | 17.714 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 297 | ILE | 0 | 0.018 | -0.005 | 12.644 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 298 | TYR | 0 | 0.015 | 0.003 | 11.674 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 299 | PRO | 0 | -0.020 | -0.034 | 8.884 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 300 | TYR | 0 | -0.001 | -0.006 | 5.709 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 301 | ASN | 0 | -0.033 | -0.009 | 6.704 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 302 | ASN | 0 | 0.020 | 0.004 | 6.150 | -0.373 | -0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 303 | HIS | 1 | 0.795 | 0.848 | 8.248 | 0.580 | 0.580 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 304 | GLU | -1 | -0.762 | -0.869 | 10.142 | -0.379 | -0.379 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 305 | GLY | 0 | -0.017 | -0.014 | 12.329 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 306 | GLY | 0 | 0.055 | 0.015 | 12.760 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 307 | GLY | 0 | -0.010 | -0.003 | 15.461 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 308 | SER | 0 | 0.025 | -0.007 | 17.879 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 309 | PHE | 0 | -0.007 | 0.014 | 17.911 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 310 | GLN | 0 | 0.022 | 0.007 | 18.010 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 311 | ALA | 0 | 0.030 | 0.023 | 19.951 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 312 | VAL | 0 | 0.020 | 0.004 | 23.047 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 313 | GLU | -1 | -0.825 | -0.896 | 20.650 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 314 | GLN | 0 | -0.016 | -0.018 | 22.563 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 315 | VAL | 0 | -0.003 | 0.006 | 25.566 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 316 | LYS | 1 | 0.836 | 0.904 | 23.822 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 317 | PHE | 0 | -0.052 | -0.026 | 26.465 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 318 | LEU | 0 | 0.028 | 0.010 | 28.494 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 319 | LYS | 1 | 0.778 | 0.876 | 31.316 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 320 | LYS | 1 | 0.854 | 0.914 | 28.066 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 321 | LEU | 0 | -0.036 | -0.006 | 32.065 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 322 | PHE | 0 | -0.005 | -0.011 | 34.108 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 323 | GLU | -1 | -0.858 | -0.891 | 36.115 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |