![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: R81V8
Calculation Name: 3UCA-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3UCA
Chain ID: A
UniProt ID: Q8XJE0
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 | 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 | 274 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3811595.80996 |
---|---|
FMO2-HF: Nuclear repulsion | 3702594.568608 |
FMO2-HF: Total energy | -109001.241353 |
FMO2-MP2: Total energy | -109313.506105 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F032410/ligand_interaction/ligand_F032410.png)
Ligand Interaction
![ligand interaction](./Kdata/F032410/ligand_interaction/ligand_interaction_F032410.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:11:ALA)
Summations of interaction energy for
fragment #1(A:11: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. |
0.694 | 1.855 | -0.011 | -0.45 | -0.699 | 0.002 |
Interaction energy analysis for fragmet #1(A:11: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 | 13 | ASN | 0 | 0.053 | 0.025 | 3.821 | 0.041 | 1.202 | -0.011 | -0.450 | -0.699 | 0.002 |
4 | A | 14 | ILE | 0 | 0.032 | 0.020 | 6.137 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 15 | ASN | 0 | -0.056 | -0.025 | 9.812 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 16 | SER | 0 | 0.004 | 0.000 | 5.766 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 17 | LEU | 0 | 0.052 | 0.019 | 8.373 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 18 | LYS | 1 | 0.878 | 0.930 | 10.129 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 19 | GLU | -1 | -0.920 | -0.957 | 11.595 | -0.380 | -0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 20 | GLU | -1 | -0.801 | -0.885 | 9.198 | -0.686 | -0.686 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 21 | VAL | 0 | -0.016 | -0.018 | 12.546 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 22 | ASP | -1 | -0.824 | -0.905 | 15.525 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 23 | GLN | 0 | -0.060 | -0.032 | 15.211 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 24 | SER | 0 | 0.030 | 0.013 | 15.380 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 25 | LEU | 0 | 0.024 | 0.007 | 17.926 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 26 | LYS | 1 | 0.925 | 0.961 | 20.489 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 27 | ALA | 0 | -0.014 | -0.002 | 20.227 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 28 | TYR | 0 | -0.088 | -0.079 | 21.963 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 29 | PHE | 0 | 0.030 | -0.024 | 23.772 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 30 | ASN | 0 | -0.067 | -0.003 | 25.473 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 31 | LYS | 1 | 0.895 | 0.953 | 26.876 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 32 | ASP | -1 | -0.890 | -0.933 | 29.472 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 33 | ARG | 1 | 0.813 | 0.885 | 32.374 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 34 | GLU | -1 | -0.915 | -0.951 | 35.812 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 35 | TYR | 0 | 0.044 | 0.026 | 39.508 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 36 | ASN | 0 | 0.001 | 0.000 | 37.047 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 37 | LYS | 1 | 0.962 | 0.979 | 31.959 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 38 | VAL | 0 | 0.088 | 0.040 | 35.614 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 39 | LEU | 0 | 0.002 | 0.022 | 35.187 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 40 | TYR | 0 | -0.005 | -0.025 | 30.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 41 | ASP | -1 | -0.892 | -0.942 | 31.499 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 42 | SER | 0 | -0.007 | 0.009 | 32.217 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 43 | MET | 0 | -0.025 | -0.015 | 30.162 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 44 | ALA | 0 | 0.009 | -0.001 | 27.757 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 45 | TYR | 0 | -0.090 | -0.069 | 27.503 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 46 | SER | 0 | 0.051 | 0.014 | 28.426 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 47 | ILE | 0 | -0.001 | 0.027 | 23.728 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 48 | ASN | 0 | -0.035 | -0.033 | 23.465 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 49 | VAL | 0 | -0.012 | 0.032 | 23.965 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 50 | GLY | 0 | -0.010 | -0.026 | 22.662 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 51 | GLY | 0 | 0.046 | 0.021 | 21.987 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 52 | LYS | 1 | 0.826 | 0.913 | 19.061 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 53 | ARG | 1 | 0.826 | 0.898 | 17.057 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 54 | ILE | 0 | 0.026 | 0.005 | 17.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 55 | ARG | 1 | 1.012 | 1.015 | 18.475 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 56 | PRO | 0 | 0.032 | 0.030 | 17.356 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 57 | ILE | 0 | 0.002 | 0.003 | 12.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 58 | LEU | 0 | 0.004 | -0.002 | 14.628 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 59 | MET | 0 | -0.029 | 0.022 | 16.511 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 60 | LEU | 0 | -0.006 | -0.009 | 12.277 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 61 | LEU | 0 | -0.015 | -0.024 | 9.869 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 62 | SER | 0 | 0.008 | 0.012 | 12.637 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 63 | TYR | 0 | -0.055 | -0.031 | 12.835 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 64 | TYR | 0 | -0.023 | -0.025 | 4.801 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 65 | ILE | 0 | -0.068 | -0.001 | 10.846 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 66 | TYR | 0 | -0.086 | -0.065 | 13.122 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 67 | LYS | 1 | 0.933 | 0.977 | 12.726 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 68 | SER | 0 | 0.005 | -0.002 | 7.451 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 69 | ASP | -1 | -0.846 | -0.917 | 8.769 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 70 | TYR | 0 | 0.002 | -0.044 | 6.775 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 71 | LYS | 1 | 0.865 | 0.941 | 8.159 | 0.767 | 0.767 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 72 | LYS | 1 | 0.953 | 0.998 | 12.618 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 73 | ILE | 0 | 0.000 | -0.008 | 15.285 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 74 | LEU | 0 | 0.011 | -0.007 | 12.955 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 75 | THR | 0 | -0.011 | 0.011 | 16.630 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 76 | PRO | 0 | 0.046 | 0.023 | 19.538 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 77 | ALA | 0 | 0.004 | 0.003 | 17.354 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 78 | MET | 0 | -0.024 | -0.014 | 18.986 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 79 | ALA | 0 | 0.047 | 0.038 | 21.010 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 80 | ILE | 0 | 0.003 | -0.003 | 21.529 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 81 | GLU | -1 | -0.835 | -0.921 | 21.242 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 82 | MET | 0 | -0.060 | -0.012 | 23.348 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 83 | ILE | 0 | 0.021 | 0.014 | 26.305 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 84 | HIS | 0 | 0.007 | -0.001 | 24.791 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 85 | THR | 0 | -0.045 | -0.036 | 25.800 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 86 | TYR | 0 | -0.017 | -0.011 | 28.298 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 87 | SER | 0 | -0.033 | -0.020 | 30.278 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 88 | LEU | 0 | -0.028 | -0.004 | 27.765 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 89 | ILE | 0 | -0.060 | -0.019 | 31.488 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 90 | HIS | 0 | -0.021 | -0.025 | 34.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 91 | ASP | -1 | -0.829 | -0.916 | 34.760 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 92 | ASP | -1 | -0.727 | -0.842 | 33.985 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 93 | LEU | 0 | -0.049 | -0.021 | 37.180 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 94 | PRO | 0 | -0.010 | -0.005 | 40.475 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 95 | CYS | 0 | -0.116 | -0.056 | 43.794 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 96 | MET | 0 | -0.068 | -0.035 | 40.253 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 97 | ASP | -1 | -0.806 | -0.892 | 36.814 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 98 | ASN | 0 | -0.102 | -0.035 | 40.064 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 99 | ASP | -1 | -0.647 | -0.696 | 36.236 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 100 | ASP | -1 | -0.923 | -0.967 | 38.001 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 101 | LEU | 0 | -0.082 | -0.061 | 34.437 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 102 | ARG | 1 | 0.892 | 0.927 | 29.136 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 103 | ARG | 1 | 0.680 | 0.722 | 23.427 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 104 | GLY | 0 | 0.005 | -0.001 | 29.242 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 105 | LYS | 1 | 0.847 | 0.932 | 26.000 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 106 | PRO | 0 | 0.063 | 0.037 | 32.056 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 107 | THR | 0 | 0.025 | 0.024 | 33.488 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 108 | ASN | 0 | -0.006 | -0.031 | 33.023 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 109 | HIS | 0 | 0.096 | 0.048 | 35.391 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 110 | LYS | 1 | 0.875 | 0.969 | 38.155 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 111 | VAL | 0 | -0.058 | -0.022 | 35.149 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 112 | PHE | 0 | -0.038 | -0.025 | 34.262 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 113 | GLY | 0 | 0.032 | 0.019 | 39.542 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 114 | GLU | -1 | -0.857 | -0.961 | 41.029 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 115 | ALA | 0 | -0.018 | 0.005 | 41.886 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 116 | ILE | 0 | -0.014 | -0.013 | 38.253 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 117 | ALA | 0 | 0.021 | 0.026 | 37.332 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 118 | VAL | 0 | 0.054 | 0.031 | 37.419 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 119 | LEU | 0 | -0.001 | -0.005 | 38.596 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 120 | ALA | 0 | -0.013 | -0.017 | 34.152 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 121 | GLY | 0 | 0.028 | 0.010 | 33.833 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 122 | ASP | -1 | -0.849 | -0.932 | 34.226 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 123 | ALA | 0 | -0.068 | -0.047 | 34.507 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 124 | LEU | 0 | 0.010 | -0.006 | 28.342 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 125 | LEU | 0 | 0.003 | 0.026 | 30.366 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 126 | ASN | 0 | -0.037 | -0.038 | 31.815 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 127 | GLU | -1 | -0.788 | -0.839 | 28.513 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 128 | ALA | 0 | 0.005 | 0.001 | 27.382 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 129 | MET | 0 | -0.017 | -0.010 | 28.232 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 130 | LYS | 1 | 0.875 | 0.930 | 30.668 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 131 | ILE | 0 | -0.001 | 0.006 | 24.489 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 132 | LEU | 0 | 0.003 | 0.001 | 24.740 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 133 | VAL | 0 | -0.027 | -0.006 | 27.267 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 134 | ASP | -1 | -0.890 | -0.949 | 27.969 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 135 | TYR | 0 | -0.020 | -0.018 | 19.787 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 136 | SER | 0 | -0.044 | -0.046 | 25.824 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 137 | LEU | 0 | -0.101 | -0.043 | 28.078 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 138 | GLU | -1 | -0.965 | -0.974 | 25.332 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 139 | GLU | -1 | -0.900 | -0.953 | 22.385 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 140 | GLY | 0 | -0.013 | 0.015 | 25.552 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 141 | LYS | 1 | 0.922 | 0.932 | 28.102 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 142 | SER | 0 | 0.004 | -0.002 | 23.689 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 143 | ALA | 0 | 0.118 | 0.060 | 24.339 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 144 | LEU | 0 | 0.019 | 0.029 | 25.497 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 145 | LYS | 1 | 0.904 | 0.939 | 27.709 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 146 | ALA | 0 | 0.005 | 0.009 | 23.953 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 147 | THR | 0 | 0.017 | 0.003 | 25.941 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 148 | LYS | 1 | 0.847 | 0.914 | 28.139 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 149 | ILE | 0 | -0.022 | 0.003 | 26.147 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 150 | ILE | 0 | -0.003 | -0.010 | 23.848 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 151 | ALA | 0 | -0.005 | -0.009 | 28.074 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 152 | ASP | -1 | -0.855 | -0.920 | 31.596 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 153 | ALA | 0 | -0.030 | -0.009 | 29.188 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 154 | ALA | 0 | 0.000 | 0.000 | 30.494 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 155 | GLY | 0 | 0.059 | 0.033 | 32.098 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 156 | SER | 0 | 0.008 | -0.004 | 35.753 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 157 | ASP | -1 | -0.923 | -0.949 | 37.914 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 158 | GLY | 0 | -0.055 | -0.051 | 34.054 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 159 | MET | 0 | -0.014 | 0.005 | 31.515 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 160 | ILE | 0 | -0.031 | -0.027 | 33.912 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 161 | GLY | 0 | 0.063 | 0.040 | 37.215 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 162 | GLY | 0 | -0.018 | -0.041 | 36.446 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 163 | GLN | 0 | -0.057 | -0.028 | 34.447 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 164 | ILE | 0 | 0.004 | 0.020 | 38.285 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 165 | VAL | 0 | -0.025 | -0.013 | 40.755 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 166 | ASP | -1 | -0.884 | -0.969 | 38.604 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 167 | ILE | 0 | 0.053 | 0.029 | 41.122 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 168 | ILE | 0 | -0.125 | -0.070 | 43.568 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 169 | ASN | 0 | -0.051 | -0.042 | 43.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 170 | GLU | -1 | -0.916 | -0.926 | 43.660 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 171 | ASP | -1 | -0.969 | -0.987 | 46.180 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 172 | LYS | 1 | 0.835 | 0.937 | 47.452 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 173 | GLU | -1 | -0.929 | -0.971 | 48.090 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 174 | GLU | -1 | -1.008 | -0.996 | 48.508 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 175 | ILE | 0 | 0.046 | 0.024 | 43.879 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 176 | SER | 0 | -0.035 | -0.013 | 45.839 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 177 | LEU | 0 | 0.053 | 0.016 | 40.354 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 178 | LYS | 1 | 0.904 | 0.947 | 41.519 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 179 | GLU | -1 | -0.859 | -0.937 | 41.689 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 180 | LEU | 0 | 0.039 | 0.035 | 38.924 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 181 | ASP | -1 | -0.875 | -0.941 | 37.302 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 182 | TYR | 0 | -0.056 | -0.027 | 36.674 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 183 | MET | 0 | 0.024 | 0.031 | 37.239 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 184 | HIS | 0 | 0.054 | 0.018 | 33.713 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 185 | LEU | 0 | -0.062 | -0.029 | 32.168 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 186 | LYS | 1 | 0.820 | 0.930 | 32.583 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 187 | LYS | 1 | 0.955 | 1.008 | 33.253 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 188 | THR | 0 | -0.029 | -0.024 | 28.760 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 189 | GLY | 0 | 0.021 | 0.007 | 28.364 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 190 | GLU | -1 | -0.882 | -0.956 | 28.209 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 191 | LEU | 0 | 0.078 | 0.035 | 26.147 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 192 | ILE | 0 | -0.042 | 0.009 | 23.075 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 193 | LYS | 1 | 0.920 | 0.957 | 23.289 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 194 | ALA | 0 | 0.036 | 0.018 | 24.318 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 195 | SER | 0 | -0.032 | -0.024 | 20.574 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 196 | ILE | 0 | -0.029 | 0.003 | 19.534 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 197 | MET | 0 | -0.038 | -0.002 | 20.402 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 198 | SER | 0 | -0.008 | -0.016 | 22.330 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 199 | GLY | 0 | 0.043 | 0.019 | 18.222 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 200 | ALA | 0 | 0.018 | 0.000 | 18.498 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 201 | VAL | 0 | -0.037 | -0.023 | 19.795 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 202 | LEU | 0 | -0.010 | -0.010 | 19.464 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 203 | ALA | 0 | -0.068 | -0.019 | 16.824 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 204 | GLU | -1 | -1.003 | -1.003 | 18.571 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 205 | ALA | 0 | -0.003 | 0.012 | 20.101 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 206 | SER | 0 | -0.007 | -0.007 | 21.488 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 207 | GLU | -1 | -0.878 | -0.954 | 24.636 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 208 | GLY | 0 | -0.015 | -0.005 | 26.848 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 209 | ASP | -1 | -0.852 | -0.924 | 20.648 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 210 | ILE | 0 | -0.003 | 0.005 | 23.471 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 211 | LYS | 1 | 1.020 | 1.014 | 24.954 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 212 | LYS | 1 | 0.837 | 0.920 | 23.410 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 213 | LEU | 0 | 0.018 | -0.012 | 19.061 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 214 | GLU | -1 | -0.881 | -0.948 | 23.131 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 215 | GLY | 0 | -0.046 | -0.015 | 26.484 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 216 | PHE | 0 | 0.019 | -0.001 | 18.840 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 217 | GLY | 0 | 0.041 | 0.001 | 23.699 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 218 | TYR | 0 | -0.053 | -0.025 | 24.501 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 219 | LYS | 1 | 0.844 | 0.901 | 25.961 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 220 | LEU | 0 | 0.031 | 0.012 | 20.479 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 221 | GLY | 0 | -0.012 | -0.008 | 24.591 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 222 | LEU | 0 | 0.030 | 0.011 | 26.984 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 223 | ALA | 0 | 0.002 | 0.000 | 25.728 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 224 | PHE | 0 | -0.060 | -0.036 | 23.373 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 225 | GLN | 0 | 0.062 | 0.029 | 26.834 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 226 | ILE | 0 | 0.022 | 0.006 | 30.516 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 227 | LYS | 1 | 0.855 | 0.927 | 25.507 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 228 | ASP | -1 | -0.828 | -0.903 | 28.416 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 229 | ASP | -1 | -0.714 | -0.852 | 30.445 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 230 | ILE | 0 | -0.116 | -0.064 | 30.750 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 231 | LEU | 0 | -0.157 | -0.098 | 26.697 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 232 | ASP | -1 | -0.840 | -0.899 | 31.346 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 233 | VAL | 0 | -0.063 | -0.026 | 34.642 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 234 | VAL | 0 | -0.123 | -0.051 | 33.702 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 235 | GLY | 0 | -0.008 | 0.006 | 33.944 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 253 | ASN | 0 | 0.036 | -0.007 | 40.311 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 254 | ASN | 0 | 0.056 | 0.018 | 38.115 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 255 | TYR | 0 | -0.030 | -0.015 | 34.772 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 256 | ILE | 0 | -0.044 | -0.032 | 35.561 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 257 | THR | 0 | 0.024 | 0.022 | 38.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 258 | ILE | 0 | -0.020 | 0.000 | 41.197 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 259 | PHE | 0 | -0.055 | -0.038 | 37.984 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 260 | GLY | 0 | 0.054 | 0.037 | 40.469 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 261 | LEU | 0 | 0.014 | -0.015 | 34.616 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 262 | GLU | -1 | -0.901 | -0.951 | 35.580 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 263 | GLU | -1 | -0.920 | -0.971 | 35.508 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 264 | CYS | 0 | -0.029 | 0.013 | 34.062 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 265 | LYS | 1 | 0.941 | 0.958 | 31.307 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 266 | LYS | 1 | 0.952 | 0.985 | 30.531 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 267 | LYS | 1 | 0.939 | 0.967 | 31.369 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 268 | CYS | 0 | -0.001 | 0.022 | 27.663 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 269 | VAL | 0 | 0.011 | 0.011 | 26.452 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 270 | ASN | 0 | 0.014 | -0.005 | 26.666 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 271 | ILE | 0 | 0.019 | 0.018 | 26.906 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 272 | THR | 0 | -0.016 | -0.018 | 21.936 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 273 | GLU | -1 | -0.931 | -0.965 | 23.053 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 274 | GLU | -1 | -0.765 | -0.863 | 24.196 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 275 | CYS | 0 | -0.133 | -0.049 | 21.733 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 276 | ILE | 0 | 0.002 | -0.012 | 18.237 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 277 | GLU | -1 | -0.918 | -0.959 | 20.308 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 278 | ILE | 0 | -0.022 | -0.012 | 22.442 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 279 | LEU | 0 | 0.000 | 0.011 | 16.483 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 280 | SER | 0 | -0.017 | -0.008 | 18.496 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 281 | SER | 0 | -0.098 | -0.036 | 19.595 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 282 | ILE | 0 | -0.001 | 0.000 | 17.471 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 283 | LYS | 1 | 0.940 | 0.974 | 18.022 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 284 | GLY | 0 | 0.039 | 0.014 | 14.481 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 285 | ASN | 0 | -0.025 | -0.021 | 7.283 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 286 | THR | 0 | 0.059 | 0.023 | 11.280 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 287 | GLU | -1 | -0.927 | -0.955 | 8.240 | 1.664 | 1.664 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 288 | PRO | 0 | 0.040 | 0.020 | 7.508 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 289 | LEU | 0 | 0.039 | 0.016 | 10.131 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 290 | LYS | 1 | 0.929 | 0.968 | 13.643 | -0.557 | -0.557 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 291 | VAL | 0 | -0.003 | 0.003 | 10.358 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 292 | LEU | 0 | -0.029 | -0.026 | 13.419 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 293 | THR | 0 | -0.002 | -0.019 | 15.017 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 294 | MET | 0 | 0.036 | 0.025 | 16.781 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 295 | LYS | 1 | 0.913 | 0.952 | 11.983 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 296 | LEU | 0 | -0.058 | -0.034 | 17.687 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 297 | LEU | 0 | 0.035 | 0.035 | 20.519 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 298 | GLU | -1 | -0.914 | -0.963 | 20.303 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 299 | ARG | 1 | 0.671 | 0.841 | 21.333 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 300 | LYS | 1 | 0.986 | 0.973 | 22.095 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 301 | PHE | 0 | 0.085 | 0.054 | 22.422 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |