![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: ZVK7N
Calculation Name: 5F42-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5F42
Chain ID: A
UniProt ID: A0Q7Y0
Base Structure: X-ray
Registration Date: 2023-09-23
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 276 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3495027.633667 |
---|---|
FMO2-HF: Nuclear repulsion | 3388962.720826 |
FMO2-HF: Total energy | -106064.91284 |
FMO2-MP2: Total energy | -106370.689218 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F036711/ligand_interaction/ligand_F036711.png)
Ligand Interaction
![ligand interaction](./Kdata/F036711/ligand_interaction/ligand_interaction_F036711.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. |
-9.493 | -7.802 | 10.185 | -5.511 | -6.369 | -0.026 |
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 | 0.019 | 0.010 | 3.510 | -1.097 | 1.182 | 0.021 | -1.151 | -1.150 | 0.004 |
4 | A | 4 | SER | 0 | 0.016 | -0.003 | 5.123 | 0.014 | 0.101 | -0.001 | -0.003 | -0.083 | 0.000 |
5 | A | 5 | LEU | 0 | -0.019 | -0.010 | 7.516 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | ALA | 0 | -0.045 | 0.001 | 8.223 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | VAL | 0 | -0.006 | -0.005 | 10.006 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | VAL | 0 | 0.028 | 0.002 | 8.730 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | HIS | 0 | 0.043 | 0.058 | 12.176 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | GLU | -1 | -0.904 | -0.959 | 13.719 | -0.697 | -0.697 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | SER | 0 | -0.052 | -0.035 | 14.755 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | ALA | 0 | -0.028 | 0.000 | 12.322 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | LYS | 1 | 0.842 | 0.908 | 11.571 | 0.718 | 0.718 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | ILE | 0 | 0.024 | 0.011 | 5.524 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | ALA | 0 | 0.018 | 0.015 | 7.268 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | ASP | -1 | -0.885 | -0.945 | 4.943 | -1.667 | -1.653 | -0.001 | -0.003 | -0.011 | 0.000 |
17 | A | 17 | SER | 0 | -0.019 | -0.013 | 3.960 | 0.845 | 1.281 | 0.003 | -0.089 | -0.350 | 0.000 |
18 | A | 18 | ALA | 0 | -0.038 | -0.002 | 3.983 | 0.076 | 0.454 | 0.001 | -0.176 | -0.204 | 0.000 |
19 | A | 19 | ILE | 0 | -0.029 | -0.013 | 1.928 | -9.963 | -11.716 | 10.134 | -4.207 | -4.174 | -0.031 |
20 | A | 20 | ILE | 0 | 0.005 | 0.000 | 3.341 | 2.643 | 2.893 | 0.028 | 0.118 | -0.397 | 0.001 |
21 | A | 21 | GLY | 0 | 0.071 | 0.032 | 5.977 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | PRO | 0 | -0.018 | -0.006 | 7.411 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | PHE | 0 | 0.012 | -0.034 | 9.823 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | CYS | 0 | -0.080 | 0.008 | 9.881 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | VAL | 0 | -0.015 | -0.006 | 12.325 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | ILE | 0 | -0.018 | -0.008 | 10.179 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | GLY | 0 | 0.041 | 0.020 | 13.712 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | LYS | 1 | 0.830 | 0.870 | 15.671 | 0.458 | 0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | ASN | 0 | -0.048 | -0.044 | 17.588 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | VAL | 0 | -0.008 | 0.028 | 12.698 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | VAL | 0 | -0.029 | -0.015 | 12.859 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | ILE | 0 | -0.012 | -0.009 | 8.136 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | GLY | 0 | 0.038 | 0.022 | 9.183 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | GLU | -1 | -0.806 | -0.906 | 7.823 | -0.750 | -0.750 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | ASN | 0 | -0.057 | -0.042 | 6.673 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | THR | 0 | -0.001 | 0.015 | 7.523 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | GLU | -1 | -0.824 | -0.882 | 6.308 | -1.348 | -1.348 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | LEU | 0 | 0.003 | 0.001 | 7.295 | 0.535 | 0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | LYS | 1 | 0.876 | 0.929 | 8.314 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | SER | 0 | 0.004 | -0.021 | 9.415 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | HIS | 0 | -0.030 | -0.014 | 11.407 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | VAL | 0 | -0.009 | 0.004 | 12.183 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | THR | 0 | 0.007 | 0.008 | 14.024 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | ILE | 0 | -0.028 | -0.016 | 12.675 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | GLY | 0 | 0.073 | 0.036 | 15.911 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | ASP | -1 | -0.777 | -0.883 | 17.864 | -0.617 | -0.617 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | ASN | 0 | -0.036 | -0.027 | 19.071 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | ALA | 0 | -0.004 | 0.027 | 16.543 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | VAL | 0 | -0.004 | -0.001 | 15.641 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | ILE | 0 | -0.022 | -0.008 | 12.321 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | GLY | 0 | 0.061 | 0.036 | 12.881 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | LYS | 1 | 0.838 | 0.899 | 11.102 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | ASN | 0 | -0.016 | -0.016 | 10.619 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | ASN | 0 | -0.037 | -0.015 | 11.606 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | ARG | 1 | 0.815 | 0.878 | 9.241 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | ILE | 0 | 0.022 | 0.007 | 11.577 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | PHE | 0 | -0.032 | -0.030 | 12.135 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | GLN | 0 | 0.046 | 0.037 | 14.635 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | TYR | 0 | 0.008 | -0.035 | 15.662 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | ALA | 0 | -0.035 | 0.017 | 16.478 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | SER | 0 | -0.070 | -0.046 | 17.501 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | ILE | 0 | 0.022 | -0.005 | 15.572 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | GLY | 0 | 0.026 | 0.002 | 18.199 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | ASP | -1 | -0.864 | -0.907 | 20.626 | -0.523 | -0.523 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | ASP | -1 | -0.843 | -0.908 | 22.801 | -0.319 | -0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | PRO | 0 | -0.048 | -0.015 | 26.533 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | ILE | 0 | 0.006 | 0.011 | 28.955 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | ASP | -1 | -0.796 | -0.887 | 31.325 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | TYR | 0 | -0.003 | 0.000 | 34.327 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | THR | 0 | -0.089 | -0.072 | 36.642 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | TYR | 0 | -0.063 | -0.038 | 28.137 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | LYS | 1 | 0.920 | 0.951 | 33.719 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | LYS | 1 | 0.995 | 1.000 | 28.098 | 0.305 | 0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | GLY | 0 | -0.019 | -0.013 | 30.735 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | ASP | -1 | -0.852 | -0.917 | 31.172 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | PHE | 0 | -0.053 | -0.025 | 23.836 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | SER | 0 | -0.022 | -0.029 | 25.806 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | GLN | 0 | -0.022 | -0.016 | 20.583 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | VAL | 0 | 0.010 | 0.008 | 19.400 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | VAL | 0 | -0.008 | -0.003 | 19.312 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | ILE | 0 | -0.031 | -0.017 | 16.506 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | GLY | 0 | 0.079 | 0.048 | 17.050 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | ASP | -1 | -0.824 | -0.909 | 15.475 | -0.485 | -0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | ASN | 0 | -0.043 | -0.041 | 14.922 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | ASN | 0 | -0.018 | 0.005 | 16.147 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | ILE | 0 | -0.026 | -0.012 | 15.677 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | ILE | 0 | 0.014 | 0.006 | 16.277 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | ARG | 1 | 0.856 | 0.910 | 16.590 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | GLU | -1 | -0.718 | -0.861 | 18.186 | -0.305 | -0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | CYS | 0 | -0.067 | -0.024 | 19.543 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | ALA | 0 | -0.002 | 0.029 | 20.176 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | THR | 0 | -0.023 | -0.012 | 21.032 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | ILE | 0 | 0.017 | 0.004 | 19.631 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | HIS | 0 | 0.069 | 0.037 | 22.064 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | GLY | 0 | 0.071 | 0.056 | 24.292 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | GLY | 0 | -0.033 | -0.013 | 24.941 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | THR | 0 | -0.051 | -0.071 | 28.144 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | ALA | 0 | 0.055 | 0.011 | 31.430 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | LYS | 1 | 0.752 | 0.880 | 33.662 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | GLU | -1 | -0.856 | -0.896 | 33.420 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | ILE | 0 | -0.006 | -0.011 | 29.219 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | GLY | 0 | 0.065 | 0.052 | 28.785 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | VAL | 0 | -0.038 | -0.024 | 24.028 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | THR | 0 | -0.036 | -0.022 | 24.264 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | SER | 0 | -0.035 | -0.022 | 23.302 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | VAL | 0 | -0.005 | -0.008 | 20.890 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | GLY | 0 | 0.042 | 0.041 | 21.432 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | ASN | 0 | 0.012 | 0.001 | 19.542 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | ASN | 0 | -0.003 | -0.016 | 19.452 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | ASN | 0 | -0.018 | -0.005 | 20.743 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | ILE | 0 | -0.026 | -0.013 | 20.505 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | ILE | 0 | 0.023 | 0.012 | 20.690 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | MET | 0 | -0.011 | 0.002 | 21.010 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | CYS | 0 | 0.007 | 0.005 | 21.608 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | TYR | 0 | -0.014 | -0.034 | 23.305 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | VAL | 0 | -0.067 | 0.002 | 24.306 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | HIS | 0 | -0.067 | -0.031 | 24.761 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | ILE | 0 | -0.003 | -0.009 | 23.482 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | GLY | 0 | 0.079 | 0.037 | 26.220 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | HIS | 1 | 0.847 | 0.933 | 28.014 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | ASP | -1 | -0.725 | -0.833 | 28.166 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | CYS | 0 | -0.098 | -0.020 | 27.590 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | LYS | 1 | 0.902 | 0.951 | 27.577 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | ILE | 0 | -0.043 | -0.025 | 25.031 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | GLY | 0 | 0.034 | 0.014 | 25.774 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | SER | 0 | 0.029 | 0.010 | 24.413 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | TYR | 0 | -0.007 | -0.018 | 24.064 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | ILE | 0 | -0.061 | -0.001 | 25.555 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | ASN | 0 | -0.075 | -0.034 | 25.319 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | LEU | 0 | 0.025 | 0.012 | 25.421 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | VAL | 0 | 0.041 | -0.004 | 25.864 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | ASN | 0 | 0.043 | -0.002 | 25.860 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | GLY | 0 | 0.062 | 0.042 | 27.306 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | VAL | 0 | -0.057 | -0.002 | 28.626 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | GLY | 0 | 0.033 | 0.015 | 29.042 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | LEU | 0 | -0.055 | -0.027 | 28.196 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | ALA | 0 | 0.053 | 0.023 | 30.619 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | GLY | 0 | 0.069 | 0.023 | 31.582 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | HIS | 0 | -0.037 | -0.059 | 31.964 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | VAL | 0 | -0.015 | 0.011 | 31.897 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | HIS | 0 | -0.053 | -0.024 | 31.325 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | ILE | 0 | -0.005 | -0.002 | 29.544 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | ASP | -1 | -0.753 | -0.866 | 29.931 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | ASP | -1 | -0.817 | -0.921 | 28.561 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | TYR | 0 | -0.012 | -0.017 | 28.693 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | ALA | 0 | -0.010 | 0.016 | 30.227 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | ILE | 0 | -0.038 | -0.023 | 30.166 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | LEU | 0 | 0.003 | 0.003 | 30.691 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | SER | 0 | 0.002 | -0.016 | 30.737 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | SER | 0 | -0.026 | -0.025 | 31.064 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | ASN | 0 | 0.004 | -0.017 | 31.605 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | VAL | 0 | -0.043 | 0.011 | 33.382 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | GLY | 0 | 0.039 | 0.034 | 33.378 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | VAL | 0 | -0.036 | -0.030 | 33.911 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | HIS | 0 | 0.041 | 0.013 | 35.216 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | GLN | 0 | 0.030 | 0.010 | 35.618 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | PHE | 0 | -0.012 | -0.013 | 35.969 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | CYS | 0 | -0.099 | -0.019 | 37.053 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | ARG | 1 | 0.778 | 0.847 | 35.701 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | VAL | 0 | -0.020 | -0.015 | 34.259 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | GLY | 0 | 0.053 | 0.029 | 34.605 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | LYS | 1 | 0.856 | 0.913 | 33.595 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | HIS | 0 | 0.026 | 0.002 | 33.296 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | ALA | 0 | -0.033 | 0.012 | 34.928 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | PHE | 0 | -0.016 | -0.016 | 34.612 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | ILE | 0 | 0.005 | 0.001 | 35.457 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | ALA | 0 | 0.032 | 0.020 | 35.706 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | HIS | 0 | 0.033 | -0.013 | 34.863 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | ALA | 0 | -0.023 | -0.007 | 36.059 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | ALA | 0 | -0.011 | 0.014 | 37.635 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | LEU | 0 | 0.004 | 0.006 | 38.030 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | VAL | 0 | 0.023 | 0.019 | 37.550 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | GLY | 0 | 0.043 | 0.016 | 39.344 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | LYS | 1 | 0.807 | 0.902 | 41.864 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | ASP | -1 | -0.696 | -0.810 | 40.271 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | VAL | 0 | -0.012 | -0.016 | 38.694 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | PRO | 0 | 0.012 | -0.001 | 39.529 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | PRO | 0 | 0.042 | 0.032 | 38.507 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | TYR | 0 | -0.026 | -0.043 | 38.116 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | LEU | 0 | -0.040 | -0.013 | 39.691 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | MET | 0 | -0.008 | 0.021 | 39.658 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | VAL | 0 | -0.013 | -0.005 | 39.939 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | THR | 0 | 0.060 | 0.021 | 40.525 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | ALA | 0 | 0.074 | 0.033 | 41.281 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | VAL | 0 | -0.020 | 0.009 | 43.114 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | ASN | 0 | -0.007 | -0.018 | 45.474 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | ALA | 0 | -0.011 | -0.004 | 44.689 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | GLY | 0 | 0.029 | 0.009 | 44.025 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | SER | 0 | -0.052 | -0.042 | 41.626 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | THR | 0 | 0.031 | 0.017 | 43.738 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | PRO | 0 | -0.023 | -0.010 | 44.786 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | CYS | 0 | -0.043 | -0.019 | 44.352 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | GLY | 0 | 0.024 | 0.019 | 45.824 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | ILE | 0 | -0.014 | -0.013 | 42.457 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | ASN | 0 | 0.032 | 0.022 | 35.538 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | THR | 0 | -0.022 | -0.044 | 39.351 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | GLU | -1 | -0.804 | -0.874 | 36.879 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | GLY | 0 | 0.018 | 0.004 | 35.217 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | LEU | 0 | -0.023 | -0.018 | 35.700 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | LYS | 1 | 0.944 | 0.965 | 37.979 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | ARG | 1 | 0.826 | 0.896 | 33.244 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | ARG | 1 | 0.831 | 0.922 | 31.168 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | GLY | 0 | 0.014 | 0.022 | 34.640 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | PHE | 0 | -0.029 | -0.009 | 35.819 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | THR | 0 | 0.025 | -0.005 | 40.080 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | PRO | 0 | -0.001 | -0.013 | 43.577 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | GLU | -1 | -0.862 | -0.934 | 46.708 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | GLU | -1 | -0.793 | -0.884 | 42.183 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | MET | 0 | -0.048 | -0.013 | 42.520 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | LYS | 1 | 0.932 | 0.969 | 45.103 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | LYS | 1 | 0.804 | 0.881 | 47.306 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | ILE | 0 | 0.046 | 0.024 | 41.700 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | LYS | 1 | 0.910 | 0.948 | 45.923 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | GLU | -1 | -0.796 | -0.861 | 48.217 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | VAL | 0 | 0.052 | 0.024 | 46.954 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | TYR | 0 | -0.032 | -0.010 | 46.415 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | LYS | 1 | 0.844 | 0.902 | 48.893 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | VAL | 0 | -0.039 | -0.018 | 51.633 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | LEU | 0 | -0.012 | 0.003 | 46.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | TYR | 0 | -0.035 | -0.028 | 46.546 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | ARG | 1 | 0.813 | 0.885 | 52.392 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | LYS | 1 | 0.838 | 0.910 | 55.056 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | GLY | 0 | 0.081 | 0.062 | 57.584 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | LEU | 0 | -0.057 | -0.013 | 55.827 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | MET | 0 | 0.033 | 0.018 | 56.368 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | MET | 0 | -0.008 | -0.014 | 49.203 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | LYS | 1 | 0.874 | 0.925 | 52.763 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | GLU | -1 | -0.737 | -0.860 | 54.685 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | ALA | 0 | 0.003 | 0.002 | 52.408 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | PHE | 0 | 0.021 | -0.003 | 47.300 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | GLU | -1 | -0.814 | -0.895 | 51.312 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | ILE | 0 | 0.014 | 0.005 | 53.781 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | ILE | 0 | -0.040 | -0.025 | 47.509 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | LYS | 1 | 0.817 | 0.891 | 49.048 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | GLU | -1 | -0.878 | -0.886 | 50.613 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | MET | 0 | -0.015 | -0.025 | 50.388 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | ALA | 0 | -0.042 | -0.030 | 46.422 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | LYS | 1 | 0.795 | 0.898 | 47.382 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | GLU | -1 | -0.885 | -0.937 | 49.285 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | ASP | -1 | -0.834 | -0.896 | 47.115 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | LYS | 1 | 1.006 | 0.990 | 40.871 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | VAL | 0 | -0.016 | 0.000 | 40.569 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | LEU | 0 | -0.014 | -0.011 | 41.830 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | GLU | -1 | -0.736 | -0.861 | 38.632 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | PRO | 0 | -0.023 | -0.011 | 38.210 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | PHE | 0 | 0.003 | -0.008 | 40.169 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | VAL | 0 | 0.004 | 0.000 | 43.425 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | ASP | -1 | -0.793 | -0.854 | 37.729 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | VAL | 0 | -0.022 | 0.005 | 38.374 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | ILE | 0 | -0.040 | -0.033 | 40.987 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | GLY | 0 | -0.028 | -0.014 | 44.493 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | THR | 0 | -0.042 | -0.034 | 40.370 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | SER | 0 | -0.105 | -0.063 | 41.591 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | ARG | 1 | 0.935 | 0.956 | 35.842 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | ARG | 1 | 0.834 | 0.904 | 40.572 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | GLY | 0 | 0.000 | 0.004 | 44.093 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | ILE | 0 | 0.007 | -0.001 | 43.533 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | LEU | 0 | 0.002 | 0.016 | 42.656 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | ARG | 1 | 0.921 | 0.946 | 45.739 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | ASP | -1 | -0.695 | -0.837 | 48.686 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | PRO | 0 | -0.037 | -0.024 | 50.390 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | ASN | 0 | 0.026 | 0.026 | 53.113 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | SER | 0 | -0.006 | -0.008 | 53.981 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | SER | 0 | 0.015 | 0.008 | 55.794 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | SER | 0 | -0.040 | -0.022 | 58.582 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | VAL | 0 | -0.055 | -0.032 | 55.236 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | ASP | -1 | -0.885 | -0.939 | 57.704 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | LYS | 1 | 0.946 | 0.951 | 58.863 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | LEU | 0 | -0.027 | -0.006 | 61.415 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | ALA | 0 | 0.007 | 0.011 | 61.573 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | ALA | 0 | -0.019 | -0.009 | 61.544 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | ALA | 0 | -0.060 | -0.023 | 63.675 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | LEU | 0 | -0.012 | -0.004 | 66.481 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | GLU | -1 | -0.951 | -0.964 | 69.312 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | HIS | 0 | 0.001 | 0.003 | 70.489 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | HIS | 0 | -0.054 | -0.028 | 68.569 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |