FMODB ID: 3J79L
Calculation Name: 1C4X-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1C4X
Chain ID: A
UniProt ID: Q75WN8
Base Structure: X-ray
Registration Date: 2023-09-22
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 | 281 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4070236.233786 |
---|---|
FMO2-HF: Nuclear repulsion | 3959762.044126 |
FMO2-HF: Total energy | -110474.18966 |
FMO2-MP2: Total energy | -110793.293866 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:3:THR)
Summations of interaction energy for
fragment #1(A:3:THR)
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. |
0.025 | 1.505 | -0.013 | -0.606 | -0.86 | 0.001 |
Interaction energy analysis for fragmet #1(A:3:THR)
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 | 5 | GLU | -1 | -0.966 | -0.969 | 3.873 | -1.131 | 0.349 | -0.013 | -0.606 | -0.860 | 0.001 |
4 | A | 6 | ILE | 0 | -0.019 | -0.027 | 5.485 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 7 | ILE | 0 | -0.013 | 0.005 | 9.103 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 8 | GLU | -1 | -0.755 | -0.848 | 12.008 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 9 | LYS | 1 | 0.899 | 0.957 | 14.880 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 10 | ARG | 1 | 0.816 | 0.884 | 18.389 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 11 | PHE | 0 | 0.010 | 0.005 | 16.573 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 12 | PRO | 0 | 0.016 | 0.011 | 22.795 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 13 | SER | 0 | -0.027 | -0.008 | 25.505 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 14 | GLY | 0 | 0.025 | 0.007 | 27.120 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 15 | THR | 0 | -0.036 | -0.031 | 30.837 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 16 | LEU | 0 | 0.011 | 0.020 | 30.584 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 17 | ALA | 0 | 0.017 | 0.035 | 26.374 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 18 | SER | 0 | 0.014 | -0.029 | 24.283 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 19 | HIS | 0 | -0.051 | -0.032 | 18.299 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 20 | ALA | 0 | -0.006 | -0.007 | 18.765 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 21 | LEU | 0 | -0.005 | 0.008 | 13.471 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 22 | VAL | 0 | -0.035 | -0.014 | 13.611 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 23 | ALA | 0 | -0.004 | -0.005 | 9.213 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 24 | GLY | 0 | 0.104 | 0.061 | 9.702 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 25 | ASP | -1 | -0.850 | -0.911 | 10.644 | -0.737 | -0.737 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 26 | PRO | 0 | -0.016 | -0.022 | 12.705 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 27 | GLN | 0 | -0.086 | -0.045 | 15.990 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 28 | SER | 0 | -0.068 | -0.015 | 13.681 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 29 | PRO | 0 | -0.007 | -0.011 | 16.141 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 30 | ALA | 0 | 0.046 | 0.032 | 17.283 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 31 | VAL | 0 | -0.020 | -0.007 | 16.757 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 32 | VAL | 0 | 0.001 | 0.008 | 17.894 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 33 | LEU | 0 | 0.006 | -0.007 | 15.545 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 34 | LEU | 0 | -0.004 | -0.003 | 19.726 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 35 | HIS | 0 | -0.019 | -0.004 | 21.450 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 36 | GLY | 0 | 0.062 | 0.034 | 23.017 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 37 | ALA | 0 | -0.057 | -0.019 | 26.071 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 38 | GLY | 0 | 0.038 | 0.004 | 28.810 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 39 | PRO | 0 | 0.006 | 0.023 | 29.232 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 40 | GLY | 0 | 0.087 | 0.059 | 27.638 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 41 | ALA | 0 | -0.057 | -0.008 | 24.784 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 42 | HIS | 0 | -0.030 | -0.046 | 19.653 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 43 | ALA | 0 | 0.047 | 0.040 | 18.741 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 44 | ALA | 0 | -0.018 | -0.006 | 16.235 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 45 | SER | 0 | -0.035 | -0.038 | 16.556 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 46 | ASN | 0 | -0.014 | -0.009 | 18.976 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 47 | TRP | 0 | 0.058 | 0.015 | 15.427 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 48 | ARG | 1 | 0.861 | 0.903 | 11.512 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 49 | PRO | 0 | -0.044 | -0.034 | 10.881 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 50 | ILE | 0 | 0.032 | 0.033 | 10.724 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 51 | ILE | 0 | -0.015 | 0.000 | 9.632 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 52 | PRO | 0 | 0.009 | -0.008 | 5.088 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 53 | ASP | -1 | -0.795 | -0.884 | 7.164 | 0.977 | 0.977 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 54 | LEU | 0 | -0.026 | -0.013 | 9.269 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 55 | ALA | 0 | 0.000 | -0.007 | 8.146 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 56 | GLU | -1 | -0.971 | -0.977 | 6.151 | 0.381 | 0.381 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 57 | ASN | 0 | -0.053 | -0.021 | 7.993 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 58 | PHE | 0 | -0.016 | -0.016 | 11.733 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 59 | PHE | 0 | -0.005 | 0.014 | 12.816 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 60 | VAL | 0 | 0.009 | 0.003 | 12.155 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 61 | VAL | 0 | 0.028 | 0.004 | 14.817 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 62 | ALA | 0 | 0.009 | 0.001 | 16.213 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 63 | PRO | 0 | 0.006 | -0.001 | 18.022 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 64 | ASP | -1 | -0.748 | -0.888 | 20.976 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 65 | LEU | 0 | -0.014 | 0.008 | 23.015 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 66 | ILE | 0 | 0.022 | 0.003 | 26.278 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 67 | GLY | 0 | 0.031 | 0.008 | 29.643 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 68 | PHE | 0 | -0.054 | -0.032 | 26.381 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 69 | GLY | 0 | 0.033 | 0.019 | 24.203 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 70 | GLN | 0 | -0.018 | 0.003 | 21.034 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 71 | SER | 0 | -0.019 | -0.031 | 24.774 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 72 | GLU | -1 | -0.854 | -0.885 | 26.032 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 73 | TYR | 0 | -0.029 | -0.026 | 28.342 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 74 | PRO | 0 | -0.029 | -0.010 | 32.493 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 75 | GLU | -1 | -0.902 | -0.961 | 35.868 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 76 | THR | 0 | -0.050 | -0.020 | 38.873 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 77 | TYR | 0 | 0.017 | 0.003 | 35.947 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 78 | PRO | 0 | 0.001 | 0.008 | 38.141 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 79 | GLY | 0 | 0.037 | 0.010 | 40.328 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 80 | HIS | 0 | 0.019 | 0.008 | 41.494 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 81 | ILE | 0 | 0.035 | 0.035 | 34.764 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 82 | MET | 0 | 0.032 | 0.007 | 36.952 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 83 | SER | 0 | -0.012 | -0.024 | 37.868 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 84 | TRP | 0 | 0.034 | -0.002 | 33.901 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 85 | VAL | 0 | -0.057 | -0.028 | 33.231 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 86 | GLY | 0 | 0.075 | 0.041 | 33.275 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 87 | MET | 0 | -0.027 | -0.012 | 33.726 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 88 | ARG | 1 | 0.856 | 0.927 | 29.248 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 89 | VAL | 0 | -0.013 | 0.000 | 29.360 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 90 | GLU | -1 | -0.892 | -0.954 | 30.564 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 91 | GLN | 0 | -0.019 | -0.001 | 25.105 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 92 | ILE | 0 | -0.014 | -0.012 | 24.142 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 93 | LEU | 0 | 0.046 | 0.023 | 26.489 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 94 | GLY | 0 | 0.026 | 0.017 | 28.615 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 95 | LEU | 0 | -0.032 | -0.033 | 21.155 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 96 | MET | 0 | -0.061 | -0.017 | 23.809 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 97 | ASN | 0 | 0.022 | 0.013 | 25.067 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 98 | HIS | 0 | -0.058 | -0.014 | 20.786 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 99 | PHE | 0 | -0.023 | -0.024 | 18.021 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 100 | GLY | 0 | 0.020 | 0.019 | 22.703 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 101 | ILE | 0 | -0.009 | -0.001 | 20.569 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 102 | GLU | -1 | -0.941 | -0.959 | 24.529 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 103 | LYS | 1 | 0.808 | 0.891 | 25.610 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 104 | SER | 0 | -0.020 | -0.027 | 22.130 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 105 | HIS | 0 | 0.022 | 0.014 | 19.750 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 106 | ILE | 0 | -0.021 | -0.003 | 22.183 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 107 | VAL | 0 | 0.019 | 0.010 | 19.207 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 108 | GLY | 0 | 0.022 | 0.019 | 22.336 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 109 | ASN | 0 | -0.037 | -0.041 | 23.002 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 110 | SER | 0 | -0.007 | -0.001 | 24.991 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 111 | MET | 0 | -0.003 | -0.031 | 28.579 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 112 | GLY | 0 | 0.082 | 0.058 | 25.946 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 113 | GLY | 0 | -0.009 | 0.000 | 26.994 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 114 | ALA | 0 | -0.024 | -0.014 | 28.309 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 115 | VAL | 0 | 0.001 | -0.007 | 28.553 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 116 | THR | 0 | 0.011 | -0.008 | 26.401 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 117 | LEU | 0 | -0.051 | -0.031 | 28.603 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 118 | GLN | 0 | -0.053 | -0.045 | 32.081 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 119 | LEU | 0 | 0.011 | 0.020 | 27.367 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 120 | VAL | 0 | -0.027 | -0.008 | 29.486 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 121 | VAL | 0 | -0.055 | -0.041 | 32.028 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 122 | GLU | -1 | -0.889 | -0.939 | 34.837 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 123 | ALA | 0 | 0.005 | 0.017 | 32.220 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 124 | PRO | 0 | -0.017 | 0.001 | 32.163 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 125 | GLU | -1 | -0.876 | -0.952 | 31.975 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 126 | ARG | 1 | 0.806 | 0.890 | 27.928 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 127 | PHE | 0 | 0.031 | 0.009 | 25.537 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 128 | ASP | -1 | -0.876 | -0.911 | 25.320 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 129 | LYS | 1 | 0.842 | 0.934 | 23.556 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 130 | VAL | 0 | 0.024 | 0.003 | 24.758 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 131 | ALA | 0 | 0.014 | 0.017 | 22.636 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 132 | LEU | 0 | -0.029 | -0.011 | 24.787 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 133 | MET | 0 | -0.019 | 0.016 | 20.868 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 134 | GLY | 0 | 0.050 | 0.021 | 26.257 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 135 | SER | 0 | 0.003 | 0.002 | 29.172 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 136 | VAL | 0 | 0.043 | 0.011 | 30.427 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 137 | GLY | 0 | 0.021 | 0.033 | 33.346 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 138 | ALA | 0 | -0.050 | -0.026 | 35.106 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 139 | PRO | 0 | -0.007 | 0.000 | 37.841 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 140 | MET | 0 | -0.023 | -0.007 | 36.281 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 141 | ASN | 0 | -0.043 | -0.019 | 40.499 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 142 | ALA | 0 | 0.028 | 0.003 | 41.909 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 143 | ARG | 1 | 0.936 | 0.978 | 39.487 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 144 | PRO | 0 | 0.048 | 0.043 | 36.593 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 145 | PRO | 0 | 0.005 | -0.014 | 39.343 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 146 | GLU | -1 | -0.762 | -0.869 | 34.701 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 147 | LEU | 0 | 0.033 | 0.024 | 34.506 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 148 | ALA | 0 | -0.067 | -0.047 | 36.592 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 149 | ARG | 1 | 0.934 | 0.955 | 37.972 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 150 | LEU | 0 | 0.010 | 0.012 | 31.867 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 151 | LEU | 0 | -0.040 | -0.014 | 35.462 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 152 | ALA | 0 | -0.004 | -0.006 | 37.618 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 153 | PHE | 0 | 0.012 | 0.024 | 34.287 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 154 | TYR | 0 | -0.045 | -0.055 | 33.418 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 155 | ALA | 0 | -0.019 | 0.000 | 39.231 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 156 | ASP | -1 | -0.822 | -0.875 | 40.712 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 157 | PRO | 0 | 0.008 | 0.033 | 37.455 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 158 | ARG | 1 | 0.800 | 0.840 | 36.815 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 159 | LEU | 0 | 0.055 | 0.023 | 30.555 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 160 | THR | 0 | 0.000 | -0.008 | 33.542 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 161 | PRO | 0 | 0.005 | 0.001 | 35.103 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 162 | TYR | 0 | -0.006 | -0.019 | 27.939 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 163 | ARG | 1 | 0.859 | 0.913 | 30.309 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 164 | GLU | -1 | -0.913 | -0.962 | 31.005 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 165 | LEU | 0 | -0.063 | -0.009 | 31.591 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 166 | ILE | 0 | 0.016 | 0.018 | 26.139 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 167 | HIS | 0 | 0.017 | -0.021 | 27.909 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 168 | SER | 0 | -0.083 | -0.058 | 29.439 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 169 | PHE | 0 | 0.006 | -0.013 | 26.348 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 170 | VAL | 0 | -0.032 | -0.005 | 23.859 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 171 | TYR | 0 | -0.029 | -0.023 | 26.481 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 172 | ASP | -1 | -0.871 | -0.923 | 25.933 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 173 | PRO | 0 | -0.006 | -0.013 | 25.689 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 174 | GLU | -1 | -0.919 | -0.959 | 25.986 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 175 | ASN | 0 | -0.079 | -0.058 | 24.011 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 176 | PHE | 0 | -0.018 | 0.005 | 19.911 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 177 | PRO | 0 | 0.013 | 0.003 | 17.235 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 178 | GLY | 0 | 0.033 | 0.007 | 18.956 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 179 | MET | 0 | -0.021 | 0.022 | 20.266 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 180 | GLU | -1 | -0.746 | -0.856 | 23.548 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 181 | GLU | -1 | -0.826 | -0.899 | 20.973 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 182 | ILE | 0 | -0.006 | 0.024 | 19.529 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 183 | VAL | 0 | -0.018 | -0.010 | 22.989 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 184 | LYS | 1 | 0.795 | 0.876 | 25.481 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 185 | SER | 0 | -0.036 | -0.037 | 22.436 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 186 | ARG | 1 | 0.868 | 0.924 | 21.976 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 187 | PHE | 0 | 0.017 | 0.013 | 25.817 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 188 | GLU | -1 | -0.910 | -0.967 | 27.737 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 189 | VAL | 0 | -0.038 | -0.015 | 24.928 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 190 | ALA | 0 | -0.028 | -0.005 | 28.331 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 191 | ASN | 0 | -0.029 | -0.027 | 30.904 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 192 | ASP | -1 | -0.808 | -0.880 | 30.930 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 193 | PRO | 0 | -0.028 | -0.030 | 32.979 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 194 | GLU | -1 | -0.937 | -0.958 | 33.539 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 195 | VAL | 0 | 0.013 | 0.002 | 29.418 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 196 | ARG | 1 | 0.819 | 0.908 | 32.597 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 197 | ARG | 1 | 0.824 | 0.904 | 35.520 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 198 | ILE | 0 | 0.007 | 0.003 | 32.639 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 199 | GLN | 0 | 0.005 | -0.001 | 30.354 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 200 | GLU | -1 | -0.751 | -0.844 | 34.675 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 201 | VAL | 0 | -0.023 | -0.004 | 38.329 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 202 | MET | 0 | 0.013 | 0.040 | 31.323 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 203 | PHE | 0 | 0.026 | -0.002 | 32.608 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 204 | GLU | -1 | -0.814 | -0.892 | 37.613 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 205 | SER | 0 | -0.056 | -0.022 | 38.448 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 206 | MET | 0 | -0.013 | -0.002 | 32.894 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 207 | LYS | 1 | 0.791 | 0.874 | 38.857 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 208 | ALA | 0 | -0.068 | -0.048 | 41.553 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 209 | GLY | 0 | 0.077 | 0.052 | 42.273 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 210 | MET | 0 | -0.038 | -0.021 | 36.814 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 211 | GLU | -1 | -0.928 | -0.951 | 39.778 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 212 | SER | 0 | -0.040 | -0.042 | 40.993 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 213 | LEU | 0 | -0.018 | -0.006 | 34.941 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 214 | VAL | 0 | -0.051 | -0.011 | 37.525 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 215 | ILE | 0 | 0.054 | 0.037 | 35.855 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 216 | PRO | 0 | 0.026 | 0.019 | 39.208 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 217 | PRO | 0 | 0.032 | 0.008 | 41.390 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 218 | ALA | 0 | -0.018 | -0.011 | 42.278 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 219 | THR | 0 | 0.064 | 0.027 | 38.899 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 220 | LEU | 0 | 0.036 | 0.032 | 36.064 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 221 | GLY | 0 | 0.068 | 0.043 | 38.179 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 222 | ARG | 1 | 0.830 | 0.901 | 40.428 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 223 | LEU | 0 | 0.053 | 0.041 | 34.032 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 224 | PRO | 0 | -0.032 | -0.006 | 33.776 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 225 | HIS | 0 | -0.006 | -0.003 | 29.769 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 226 | ASP | -1 | -0.857 | -0.923 | 28.190 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 227 | VAL | 0 | -0.036 | -0.025 | 27.993 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 228 | LEU | 0 | 0.042 | 0.026 | 23.714 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 229 | VAL | 0 | -0.038 | -0.020 | 26.814 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 230 | PHE | 0 | 0.088 | 0.030 | 22.418 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 231 | HIS | 1 | 0.777 | 0.854 | 27.161 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 232 | GLY | 0 | 0.040 | 0.034 | 28.027 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 233 | ARG | 1 | 0.813 | 0.872 | 28.646 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 234 | GLN | 0 | -0.019 | -0.012 | 30.434 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 235 | ASP | -1 | -0.797 | -0.880 | 29.992 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 236 | ARG | 1 | 0.873 | 0.928 | 31.191 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 237 | ILE | 0 | -0.028 | 0.003 | 30.079 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 238 | VAL | 0 | -0.019 | -0.019 | 31.991 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 239 | PRO | 0 | 0.022 | 0.034 | 33.400 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 240 | LEU | 0 | 0.020 | -0.003 | 33.386 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 241 | ASP | -1 | -0.807 | -0.924 | 35.541 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 242 | THR | 0 | 0.006 | 0.005 | 33.487 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 243 | SER | 0 | 0.055 | 0.034 | 31.415 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 244 | LEU | 0 | -0.020 | 0.010 | 34.117 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 245 | TYR | 0 | -0.028 | -0.042 | 37.405 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 246 | LEU | 0 | 0.032 | 0.013 | 32.321 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 247 | THR | 0 | 0.016 | -0.019 | 34.448 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 248 | LYS | 1 | 0.824 | 0.927 | 36.048 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 249 | HIS | 0 | -0.036 | -0.025 | 38.791 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 250 | LEU | 0 | 0.017 | 0.015 | 32.962 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 251 | LYS | 1 | 0.767 | 0.881 | 37.002 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 252 | HIS | 1 | 0.844 | 0.919 | 32.812 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 253 | ALA | 0 | 0.043 | 0.030 | 31.916 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 254 | GLU | -1 | -0.916 | -0.937 | 30.152 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 255 | LEU | 0 | -0.052 | -0.027 | 30.476 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 256 | VAL | 0 | 0.007 | 0.007 | 25.966 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 257 | VAL | 0 | -0.016 | -0.020 | 28.497 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 258 | LEU | 0 | 0.032 | 0.022 | 23.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 259 | ASP | -1 | -0.746 | -0.868 | 27.549 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 260 | ARG | 1 | 0.840 | 0.930 | 25.284 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 261 | CYS | 0 | -0.018 | 0.013 | 25.300 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 262 | GLY | 0 | 0.015 | 0.014 | 26.303 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 263 | HIS | 0 | -0.058 | -0.052 | 27.097 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 264 | TRP | 0 | 0.016 | 0.009 | 21.702 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 265 | ALA | 0 | 0.024 | -0.007 | 21.447 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 266 | GLN | 0 | 0.056 | -0.004 | 18.022 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 267 | LEU | 0 | -0.063 | -0.024 | 16.096 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 268 | GLU | -1 | -0.748 | -0.880 | 18.036 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 269 | ARG | 1 | 0.731 | 0.853 | 20.385 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 270 | TRP | 0 | 0.017 | 0.012 | 12.177 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 271 | ASP | -1 | -0.828 | -0.908 | 16.816 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 272 | ALA | 0 | -0.019 | -0.002 | 17.798 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 273 | MET | 0 | -0.039 | -0.017 | 19.172 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 274 | GLY | 0 | 0.054 | 0.025 | 15.705 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 275 | PRO | 0 | -0.009 | -0.014 | 16.311 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 276 | MET | 0 | -0.039 | -0.014 | 17.633 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 277 | LEU | 0 | -0.016 | -0.006 | 17.269 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 278 | MET | 0 | 0.001 | 0.001 | 12.495 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 279 | GLU | -1 | -0.913 | -0.956 | 17.194 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 280 | HIS | 0 | -0.082 | -0.040 | 20.229 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 281 | PHE | 0 | -0.014 | -0.021 | 18.160 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 282 | ARG | 1 | 0.862 | 0.940 | 13.752 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 283 | ALA | 0 | -0.028 | -0.010 | 20.001 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |