![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 171MZ
Calculation Name: 3G1W-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3G1W
Chain ID: A
UniProt ID: Q9K7B8
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 | 291 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3940377.211229 |
---|---|
FMO2-HF: Nuclear repulsion | 3828695.719159 |
FMO2-HF: Total energy | -111681.49207 |
FMO2-MP2: Total energy | -112009.274149 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F030043/ligand_interaction/ligand_F030043.png)
Ligand Interaction
![ligand interaction](./Kdata/F030043/ligand_interaction/ligand_interaction_F030043.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:43:GLU)
Summations of interaction energy for
fragment #1(A:43:GLU)
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. |
139.906 | 137.147 | 45.303 | -22.122 | -20.422 | 0.199 |
Interaction energy analysis for fragmet #1(A:43:GLU)
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 | 45 | TYR | 0 | -0.027 | -0.042 | 1.554 | -25.456 | -36.967 | 27.966 | -10.460 | -5.996 | 0.068 |
4 | A | 46 | MET | 0 | -0.028 | -0.014 | 5.969 | -3.012 | -3.012 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 47 | MET | 0 | -0.017 | 0.019 | 9.715 | -0.322 | -0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 48 | ILE | 0 | -0.055 | -0.042 | 12.872 | -0.837 | -0.837 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 49 | THR | 0 | 0.034 | -0.009 | 15.926 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 50 | PHE | 0 | 0.042 | 0.013 | 19.444 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 51 | GLN | 0 | 0.041 | 0.022 | 23.103 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 52 | SER | 0 | -0.010 | -0.003 | 20.930 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 53 | GLY | 0 | -0.014 | -0.009 | 22.161 | 0.446 | 0.446 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 54 | MET | 0 | -0.017 | 0.006 | 24.592 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 55 | ASP | -1 | -0.874 | -0.949 | 24.276 | 11.517 | 11.517 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 56 | TYR | 0 | -0.008 | -0.008 | 22.869 | 0.467 | 0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 57 | TRP | 0 | 0.003 | -0.012 | 19.690 | 0.910 | 0.910 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 58 | LYS | 1 | 0.921 | 0.960 | 19.450 | -13.200 | -13.200 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 59 | ARG | 1 | 0.906 | 0.957 | 19.642 | -11.701 | -11.701 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 60 | CYS | 0 | 0.002 | 0.016 | 17.619 | 0.513 | 0.513 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 61 | LEU | 0 | 0.011 | -0.010 | 13.622 | 1.064 | 1.064 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 62 | LYS | 1 | 0.977 | 0.997 | 14.728 | -15.080 | -15.080 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 63 | GLY | 0 | 0.047 | 0.039 | 15.708 | 0.665 | 0.665 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 64 | PHE | 0 | -0.041 | -0.025 | 9.139 | 1.662 | 1.662 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 65 | GLU | -1 | -0.952 | -0.996 | 10.825 | 21.738 | 21.738 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 66 | ASP | -1 | -0.855 | -0.904 | 12.188 | 19.316 | 19.316 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 67 | ALA | 0 | -0.017 | -0.017 | 10.050 | 0.721 | 0.721 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 68 | ALA | 0 | 0.008 | 0.005 | 7.617 | 2.673 | 2.673 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 69 | GLN | 0 | -0.035 | -0.013 | 8.171 | 1.590 | 1.590 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 70 | ALA | 0 | -0.039 | -0.018 | 10.558 | 0.502 | 0.502 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 71 | LEU | 0 | -0.069 | -0.034 | 5.783 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 72 | ASN | 0 | -0.096 | -0.038 | 6.115 | 4.020 | 4.020 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 73 | VAL | 0 | -0.028 | 0.007 | 2.515 | 1.568 | 3.335 | 2.478 | -1.377 | -2.868 | 0.018 |
32 | A | 74 | THR | 0 | -0.018 | -0.013 | 3.861 | -8.391 | -7.846 | -0.001 | -0.121 | -0.424 | 0.000 |
33 | A | 75 | VAL | 0 | 0.020 | 0.023 | 5.686 | 2.777 | 2.777 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 76 | GLU | -1 | -0.949 | -0.983 | 8.404 | 22.559 | 22.559 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 77 | TYR | 0 | -0.003 | 0.003 | 10.628 | 0.428 | 0.428 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 78 | ARG | 1 | 0.866 | 0.923 | 12.421 | -19.239 | -19.239 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 79 | GLY | 0 | 0.080 | 0.036 | 16.261 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 80 | ALA | 0 | -0.011 | 0.022 | 19.509 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 81 | ALA | 0 | -0.026 | -0.017 | 22.851 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 82 | GLN | 0 | -0.040 | -0.025 | 25.127 | -0.446 | -0.446 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 83 | TYR | 0 | -0.004 | 0.003 | 26.618 | 0.475 | 0.475 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 84 | ASP | -1 | -0.879 | -0.956 | 27.404 | 9.862 | 9.862 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 85 | ILE | 0 | 0.070 | 0.036 | 26.422 | 0.437 | 0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 86 | GLN | 0 | -0.006 | -0.002 | 25.544 | 0.731 | 0.731 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 87 | GLU | -1 | -0.816 | -0.900 | 23.899 | 12.039 | 12.039 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 88 | GLN | 0 | 0.015 | -0.008 | 20.305 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 89 | ILE | 0 | 0.021 | 0.015 | 20.705 | 0.768 | 0.768 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 90 | THR | 0 | -0.041 | -0.024 | 20.735 | 0.414 | 0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 91 | VAL | 0 | -0.013 | -0.007 | 17.238 | 0.588 | 0.588 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 92 | LEU | 0 | 0.006 | 0.012 | 15.343 | 1.001 | 1.001 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 93 | GLU | -1 | -0.823 | -0.909 | 15.865 | 14.808 | 14.808 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 94 | GLN | 0 | -0.084 | -0.052 | 16.092 | 0.777 | 0.777 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 95 | ALA | 0 | -0.035 | -0.017 | 12.160 | 0.752 | 0.752 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 96 | ILE | 0 | 0.042 | 0.012 | 11.373 | 1.742 | 1.742 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 97 | ALA | 0 | -0.035 | -0.001 | 12.562 | 0.730 | 0.730 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 98 | LYS | 1 | 0.827 | 0.918 | 9.468 | -21.603 | -21.603 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 99 | ASN | 0 | -0.057 | -0.022 | 8.762 | 1.466 | 1.466 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 100 | PRO | 0 | -0.035 | -0.006 | 5.689 | 2.323 | 2.323 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 101 | ALA | 0 | 0.018 | 0.003 | 2.627 | -1.042 | -0.541 | 0.896 | -0.454 | -0.943 | -0.001 |
60 | A | 102 | GLY | 0 | 0.047 | 0.019 | 4.664 | 0.199 | 0.337 | -0.001 | -0.015 | -0.121 | 0.000 |
61 | A | 103 | ILE | 0 | -0.056 | -0.025 | 7.470 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 104 | ALA | 0 | 0.024 | 0.015 | 10.590 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 105 | ILE | 0 | -0.004 | -0.011 | 12.910 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 106 | SER | 0 | -0.022 | 0.005 | 16.316 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 107 | ALA | 0 | -0.015 | -0.017 | 19.835 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 108 | ILE | 0 | -0.013 | -0.012 | 22.086 | -0.393 | -0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 109 | ASP | -1 | -0.826 | -0.918 | 25.147 | 9.880 | 9.880 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 110 | PRO | 0 | -0.055 | -0.018 | 25.705 | 0.436 | 0.436 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 111 | VAL | 0 | -0.011 | -0.016 | 26.856 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 112 | GLU | -1 | -0.963 | -0.987 | 27.650 | 10.153 | 10.153 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 113 | LEU | 0 | 0.007 | -0.007 | 21.340 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 114 | THR | 0 | -0.018 | -0.006 | 22.648 | 0.801 | 0.801 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 115 | ASP | -1 | -0.895 | -0.938 | 22.856 | 11.828 | 11.828 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 116 | THR | 0 | -0.050 | -0.034 | 19.255 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 117 | ILE | 0 | 0.000 | -0.012 | 18.092 | 0.899 | 0.899 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 118 | ASN | 0 | 0.065 | 0.016 | 18.153 | 1.306 | 1.306 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 119 | LYS | 1 | 0.871 | 0.951 | 18.727 | -13.222 | -13.222 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 120 | ALA | 0 | 0.012 | 0.003 | 14.315 | 0.477 | 0.477 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 121 | VAL | 0 | -0.005 | 0.000 | 14.743 | 1.040 | 1.040 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 122 | ASP | -1 | -0.936 | -0.967 | 15.992 | 14.964 | 14.964 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 123 | ALA | 0 | -0.141 | -0.067 | 14.529 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 124 | GLY | 0 | -0.020 | -0.009 | 13.195 | 0.812 | 0.812 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 125 | ILE | 0 | -0.063 | -0.018 | 9.300 | 2.269 | 2.269 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 126 | PRO | 0 | -0.003 | -0.003 | 7.531 | -2.042 | -2.042 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 127 | ILE | 0 | 0.003 | -0.010 | 10.433 | 0.614 | 0.614 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 128 | VAL | 0 | -0.042 | -0.006 | 12.511 | -0.840 | -0.840 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 129 | LEU | 0 | 0.024 | 0.020 | 14.755 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 130 | PHE | 0 | -0.013 | -0.027 | 15.657 | 0.293 | 0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 131 | ASP | -1 | -0.745 | -0.855 | 18.606 | 12.685 | 12.685 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 132 | SER | 0 | -0.053 | -0.015 | 21.793 | -0.907 | -0.907 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 133 | GLY | 0 | 0.002 | -0.015 | 21.951 | 0.641 | 0.641 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 134 | ALA | 0 | 0.076 | 0.021 | 22.473 | -0.362 | -0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 135 | PRO | 0 | -0.069 | -0.033 | 23.808 | 0.438 | 0.438 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 136 | ASP | -1 | -0.891 | -0.935 | 25.947 | 10.727 | 10.727 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 137 | SER | 0 | -0.115 | -0.042 | 21.706 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 138 | HIS | 0 | 0.021 | -0.004 | 20.843 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 139 | ALA | 0 | -0.017 | -0.004 | 17.384 | 0.842 | 0.842 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 140 | HIS | 0 | 0.007 | -0.004 | 13.516 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 141 | SER | 0 | -0.012 | -0.016 | 15.959 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 142 | PHE | 0 | -0.030 | 0.000 | 17.597 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 143 | LEU | 0 | -0.011 | -0.004 | 15.361 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 144 | GLY | 0 | 0.039 | -0.006 | 19.325 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 145 | THR | 0 | 0.032 | -0.014 | 22.449 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 146 | ASN | 0 | 0.035 | 0.052 | 26.148 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 147 | ASN | 0 | 0.042 | -0.001 | 27.931 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 148 | TYR | 0 | 0.016 | 0.018 | 31.090 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 149 | ASN | 0 | 0.037 | -0.012 | 31.445 | -0.466 | -0.466 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 150 | ALA | 0 | 0.009 | 0.016 | 31.153 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 151 | GLY | 0 | 0.021 | 0.014 | 33.144 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 152 | MET | 0 | 0.034 | 0.029 | 35.200 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 153 | ASN | 0 | -0.058 | -0.048 | 33.684 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 154 | ALA | 0 | 0.015 | 0.012 | 36.809 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 155 | ALA | 0 | 0.008 | 0.011 | 38.640 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 156 | TYR | 0 | -0.032 | -0.023 | 39.592 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 157 | LYS | 1 | 0.891 | 0.956 | 39.540 | -7.880 | -7.880 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 158 | MET | 0 | 0.015 | 0.000 | 41.582 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 159 | ALA | 0 | 0.005 | 0.004 | 44.252 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 160 | GLU | -1 | -0.920 | -0.953 | 42.761 | 7.344 | 7.344 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 161 | LEU | 0 | -0.090 | -0.041 | 43.109 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 162 | LEU | 0 | -0.034 | -0.021 | 47.164 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 163 | ASP | -1 | -0.929 | -0.953 | 49.851 | 6.043 | 6.043 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 164 | GLY | 0 | -0.082 | -0.048 | 49.790 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 165 | GLU | -1 | -1.016 | -1.024 | 50.871 | 5.630 | 5.630 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 166 | GLY | 0 | 0.037 | 0.018 | 52.537 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 167 | GLU | -1 | -0.905 | -0.945 | 52.206 | 5.868 | 5.868 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 168 | VAL | 0 | -0.011 | -0.013 | 46.699 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 169 | ALA | 0 | 0.017 | 0.018 | 47.075 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 170 | VAL | 0 | -0.037 | -0.025 | 40.842 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 171 | ILE | 0 | -0.009 | 0.005 | 40.761 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 172 | THR | 0 | 0.043 | -0.016 | 37.176 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 173 | LEU | 0 | -0.052 | -0.041 | 33.832 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 174 | PRO | 0 | 0.001 | -0.008 | 36.892 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 175 | ASN | 0 | -0.006 | 0.004 | 37.203 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 176 | GLN | 0 | -0.001 | 0.011 | 30.546 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 177 | LEU | 0 | 0.063 | 0.030 | 30.080 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 178 | ASN | 0 | 0.049 | 0.013 | 28.286 | -0.373 | -0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 179 | HIS | 0 | 0.077 | 0.030 | 31.192 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 180 | GLN | 0 | -0.002 | 0.009 | 34.314 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 181 | GLU | -1 | -0.911 | -0.951 | 32.221 | 9.045 | 9.045 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 182 | ARG | 1 | 0.832 | 0.930 | 28.797 | -10.399 | -10.399 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 183 | THR | 0 | 0.025 | 0.002 | 35.483 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 184 | THR | 0 | -0.025 | -0.018 | 38.213 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 185 | GLY | 0 | 0.053 | 0.030 | 37.391 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 186 | PHE | 0 | -0.051 | -0.017 | 38.377 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 187 | LYS | 1 | 0.907 | 0.940 | 40.658 | -7.226 | -7.226 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 188 | GLU | -1 | -0.866 | -0.925 | 41.430 | 7.611 | 7.611 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 189 | THR | 0 | -0.024 | -0.014 | 40.176 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 190 | LEU | 0 | -0.040 | -0.011 | 42.827 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 191 | GLU | -1 | -0.937 | -0.977 | 45.988 | 6.753 | 6.753 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 192 | ALA | 0 | -0.096 | -0.032 | 45.030 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 193 | GLU | -1 | -0.940 | -0.976 | 44.119 | 7.023 | 7.023 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 194 | PHE | 0 | -0.087 | -0.054 | 44.439 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 195 | PRO | 0 | 0.017 | 0.004 | 49.481 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 196 | ALA | 0 | -0.045 | -0.014 | 52.451 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 197 | ILE | 0 | -0.020 | 0.023 | 48.064 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 198 | GLU | -1 | -0.957 | -0.977 | 50.803 | 5.957 | 5.957 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 199 | VAL | 0 | -0.054 | -0.040 | 46.003 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 200 | ILE | 0 | 0.012 | 0.016 | 49.062 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 201 | ALA | 0 | -0.005 | -0.002 | 49.015 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 202 | VAL | 0 | -0.039 | -0.024 | 42.823 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 203 | GLU | -1 | -0.920 | -0.950 | 44.482 | 6.513 | 6.513 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 204 | ASP | -1 | -0.843 | -0.933 | 40.771 | 7.892 | 7.892 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 205 | GLY | 0 | 0.043 | 0.013 | 40.846 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 206 | ARG | 1 | 0.799 | 0.883 | 39.263 | -7.283 | -7.283 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 207 | GLY | 0 | 0.023 | 0.027 | 35.912 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 208 | ASP | -1 | -0.893 | -0.948 | 36.223 | 7.787 | 7.787 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 209 | SER | 0 | 0.036 | 0.012 | 39.064 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 210 | LEU | 0 | -0.036 | -0.035 | 40.780 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 211 | HIS | 0 | -0.051 | -0.014 | 42.523 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 212 | SER | 0 | 0.034 | 0.013 | 41.089 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 213 | ARG | 1 | 0.896 | 0.984 | 43.597 | -6.869 | -6.869 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 214 | ARG | 1 | 0.876 | 0.941 | 46.218 | -6.623 | -6.623 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 215 | VAL | 0 | 0.003 | 0.015 | 45.617 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 216 | ALA | 0 | 0.053 | 0.011 | 46.161 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 217 | HIS | 0 | -0.055 | -0.014 | 48.046 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 218 | GLN | 0 | -0.064 | -0.034 | 51.149 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 219 | LEU | 0 | 0.006 | -0.009 | 47.693 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 220 | LEU | 0 | -0.004 | 0.003 | 50.553 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 221 | GLU | -1 | -1.012 | -0.993 | 53.614 | 5.497 | 5.497 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 222 | ASP | -1 | -0.939 | -0.978 | 54.769 | 5.637 | 5.637 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 223 | TYR | 0 | -0.057 | -0.022 | 52.502 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 224 | PRO | 0 | -0.037 | -0.020 | 55.634 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 225 | ASN | 0 | -0.027 | -0.024 | 57.097 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 226 | LEU | 0 | 0.010 | 0.023 | 49.679 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 227 | ALA | 0 | 0.008 | 0.001 | 51.679 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 228 | GLY | 0 | 0.010 | 0.005 | 47.693 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 229 | ILE | 0 | -0.030 | -0.020 | 43.545 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 230 | PHE | 0 | -0.008 | 0.004 | 36.269 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 231 | ALA | 0 | 0.013 | 0.009 | 38.858 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 232 | THR | 0 | -0.040 | -0.014 | 35.392 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 233 | GLU | -1 | -0.810 | -0.923 | 33.368 | 9.345 | 9.345 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 234 | ALA | 0 | 0.048 | 0.038 | 32.500 | -0.261 | -0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 235 | ASN | 0 | -0.056 | -0.031 | 33.360 | -0.357 | -0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 236 | GLY | 0 | 0.056 | 0.008 | 36.629 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 237 | GLY | 0 | 0.038 | 0.007 | 37.999 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 238 | VAL | 0 | 0.031 | 0.026 | 37.344 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 239 | GLY | 0 | -0.023 | -0.005 | 40.007 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 240 | VAL | 0 | 0.026 | -0.002 | 42.409 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 241 | GLY | 0 | 0.041 | 0.023 | 42.883 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 242 | ASP | -1 | -0.920 | -0.977 | 43.652 | 7.077 | 7.077 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 243 | ALA | 0 | -0.013 | -0.026 | 46.018 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 244 | VAL | 0 | 0.089 | 0.070 | 47.624 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 245 | ARG | 1 | 0.873 | 0.949 | 45.284 | -7.015 | -7.015 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 246 | LEU | 0 | -0.147 | -0.081 | 48.951 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 247 | GLU | -1 | -0.863 | -0.921 | 51.675 | 5.764 | 5.764 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 248 | SER | 0 | -0.134 | -0.076 | 53.327 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 249 | ARG | 1 | 0.866 | 0.925 | 52.476 | -5.914 | -5.914 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 250 | ALA | 0 | 0.034 | 0.032 | 48.975 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 251 | GLY | 0 | -0.002 | 0.008 | 49.293 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 252 | GLU | -1 | -0.958 | -0.982 | 49.969 | 5.701 | 5.701 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 253 | ILE | 0 | -0.032 | -0.005 | 47.999 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 254 | GLN | 0 | 0.014 | 0.004 | 46.175 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 255 | ILE | 0 | 0.003 | 0.013 | 41.633 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 256 | ILE | 0 | -0.020 | -0.016 | 38.108 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 257 | SER | 0 | 0.030 | 0.015 | 36.481 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 258 | PHE | 0 | -0.007 | -0.016 | 29.897 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 259 | ASP | -1 | -0.849 | -0.913 | 28.677 | 10.861 | 10.861 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 260 | THR | 0 | -0.004 | -0.016 | 28.579 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 261 | ASP | -1 | -0.916 | -0.944 | 30.155 | 10.397 | 10.397 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 262 | LYS | 1 | 0.971 | 0.967 | 31.433 | -9.663 | -9.663 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 263 | GLY | 0 | 0.027 | 0.021 | 33.579 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 264 | THR | 0 | 0.016 | 0.010 | 34.320 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 265 | LEU | 0 | -0.051 | -0.025 | 31.531 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 266 | ASP | -1 | -0.841 | -0.905 | 36.102 | 8.273 | 8.273 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 267 | LEU | 0 | -0.005 | -0.003 | 39.071 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 268 | VAL | 0 | -0.033 | -0.006 | 37.641 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 269 | ASP | -1 | -0.944 | -0.968 | 39.283 | 7.688 | 7.688 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 270 | GLU | -1 | -1.022 | -1.019 | 41.113 | 7.130 | 7.130 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 271 | GLY | 0 | -0.015 | -0.001 | 43.814 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 272 | ILE | 0 | -0.114 | -0.052 | 44.204 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 273 | ILE | 0 | -0.051 | -0.026 | 39.116 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 274 | SER | 0 | 0.068 | 0.036 | 42.197 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 275 | ALA | 0 | -0.026 | -0.018 | 38.408 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 276 | THR | 0 | -0.041 | -0.025 | 33.729 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 277 | LEU | 0 | -0.008 | 0.005 | 32.569 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 278 | ALA | 0 | 0.035 | 0.023 | 28.779 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 279 | GLN | 0 | 0.050 | 0.042 | 25.589 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 280 | GLY | 0 | 0.036 | 0.036 | 23.587 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 281 | THR | 0 | 0.038 | -0.017 | 21.205 | 0.865 | 0.865 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 282 | TRP | 0 | -0.054 | -0.044 | 16.993 | 0.773 | 0.773 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 283 | ASN | 0 | -0.019 | -0.016 | 17.600 | 1.525 | 1.525 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 284 | MET | 0 | -0.029 | 0.012 | 16.951 | 1.223 | 1.223 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 285 | GLY | 0 | 0.024 | 0.035 | 14.697 | 1.064 | 1.064 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 286 | TYR | 0 | 0.004 | 0.003 | 13.085 | 2.339 | 2.339 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 287 | TRP | 0 | 0.013 | -0.012 | 12.333 | 2.534 | 2.534 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 288 | SER | 0 | 0.022 | 0.013 | 12.631 | 0.962 | 0.962 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 289 | LEU | 0 | -0.015 | 0.015 | 6.529 | 1.801 | 1.801 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 290 | THR | 0 | -0.034 | -0.020 | 7.813 | 5.147 | 5.147 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 291 | TYR | 0 | 0.010 | -0.014 | 8.664 | 2.521 | 2.521 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 292 | LEU | 0 | -0.020 | 0.002 | 7.409 | 1.129 | 1.129 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 293 | PHE | 0 | 0.023 | 0.011 | 2.960 | -1.395 | 0.883 | 0.567 | -1.084 | -1.760 | 0.010 |
252 | A | 294 | HIS | 0 | -0.040 | -0.051 | 5.250 | 1.976 | 2.066 | -0.001 | 0.001 | -0.090 | 0.000 |
253 | A | 295 | LEU | 0 | 0.005 | 0.030 | 8.076 | -0.991 | -0.991 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 296 | HIS | 0 | 0.041 | 0.014 | 2.668 | -10.174 | -7.473 | 1.182 | -1.404 | -2.479 | 0.012 |
255 | A | 297 | HIS | 1 | 0.685 | 0.845 | 1.767 | -116.023 | -115.291 | 12.217 | -7.208 | -5.741 | 0.092 |
256 | A | 298 | GLY | 0 | -0.003 | 0.008 | 6.627 | -3.338 | -3.338 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 299 | LEU | 0 | -0.070 | -0.042 | 7.675 | -1.721 | -1.721 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 300 | THR | 0 | -0.065 | -0.037 | 11.090 | -1.361 | -1.361 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 301 | GLU | -1 | -0.931 | -0.952 | 13.921 | 18.031 | 18.031 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 302 | PRO | 0 | -0.030 | -0.013 | 15.723 | -0.704 | -0.704 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 303 | GLN | 0 | -0.012 | 0.004 | 18.142 | -0.694 | -0.694 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 304 | ILE | 0 | -0.010 | -0.001 | 21.103 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 305 | LEU | 0 | 0.012 | 0.000 | 22.231 | -0.822 | -0.822 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 306 | GLN | 0 | -0.007 | -0.020 | 25.396 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 307 | THR | 0 | -0.035 | -0.022 | 24.784 | -0.361 | -0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 308 | ARG | 1 | 0.858 | 0.913 | 25.149 | -11.153 | -11.153 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 309 | GLU | -1 | -0.868 | -0.902 | 20.701 | 14.956 | 14.956 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 310 | GLU | -1 | -0.935 | -0.967 | 16.687 | 17.958 | 17.958 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 311 | ALA | 0 | -0.010 | -0.006 | 18.680 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 312 | PRO | 0 | 0.000 | -0.009 | 13.844 | -0.438 | -0.438 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 313 | LEU | 0 | 0.012 | 0.012 | 12.056 | 0.913 | 0.913 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 314 | PRO | 0 | -0.036 | -0.017 | 16.178 | -1.133 | -1.133 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 315 | LEU | 0 | 0.063 | 0.031 | 18.541 | 0.502 | 0.502 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 316 | TYR | 0 | -0.048 | -0.036 | 20.843 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 317 | VAL | 0 | -0.050 | -0.017 | 17.672 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 318 | ASP | -1 | -0.856 | -0.925 | 20.903 | 11.888 | 11.888 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 319 | THR | 0 | -0.089 | -0.057 | 19.852 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 320 | GLY | 0 | 0.036 | 0.023 | 22.807 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 321 | ILE | 0 | -0.029 | -0.023 | 26.439 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 322 | THR | 0 | -0.072 | -0.031 | 28.941 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 323 | ILE | 0 | 0.014 | 0.013 | 31.077 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 324 | VAL | 0 | -0.037 | -0.004 | 32.237 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 325 | THR | 0 | 0.053 | 0.015 | 35.325 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 326 | ASP | -1 | -0.843 | -0.938 | 38.134 | 7.665 | 7.665 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 327 | GLU | -1 | -0.960 | -0.961 | 38.922 | 7.774 | 7.774 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 328 | ASN | 0 | -0.087 | -0.065 | 33.902 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 329 | VAL | 0 | 0.051 | 0.028 | 34.641 | 0.374 | 0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 330 | ASP | -1 | -0.870 | -0.938 | 34.234 | 8.781 | 8.781 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 331 | TYR | 0 | -0.130 | -0.070 | 30.648 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 332 | TYR | 0 | -0.043 | -0.018 | 28.521 | 0.518 | 0.518 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 333 | TYR | 0 | -0.077 | -0.049 | 28.683 | 0.570 | 0.570 | 0.000 | 0.000 | 0.000 | 0.000 |