![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 52YJZ
Calculation Name: 1WDE-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1WDE
Chain ID: A
UniProt ID: Q9YDI2
Base Structure: X-ray
Registration Date: 2023-06-22
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 | 288 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3668226.330041 |
---|---|
FMO2-HF: Nuclear repulsion | 3560384.960606 |
FMO2-HF: Total energy | -107841.369435 |
FMO2-MP2: Total energy | -108157.975157 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F026871/ligand_interaction/ligand_F026871.png)
Ligand Interaction
![ligand interaction](./Kdata/F026871/ligand_interaction/ligand_interaction_F026871.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:6:GLU)
Summations of interaction energy for
fragment #1(A:6: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. |
77.437 | 81.595 | 2.031 | -2.295 | -3.891 | 0.01 |
Interaction energy analysis for fragmet #1(A:6: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 | 8 | VAL | 0 | -0.030 | -0.009 | 3.589 | 2.674 | 4.400 | 0.005 | -0.906 | -0.825 | 0.003 |
4 | A | 9 | THR | 0 | -0.046 | -0.020 | 3.861 | 0.622 | 0.963 | 0.000 | -0.033 | -0.308 | 0.000 |
5 | A | 10 | LEU | 0 | -0.005 | 0.001 | 5.953 | -1.593 | -1.593 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 11 | LEU | 0 | -0.014 | -0.014 | 6.272 | -1.235 | -1.235 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 12 | LEU | 0 | 0.002 | 0.009 | 10.224 | -1.929 | -1.929 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 13 | VAL | 0 | 0.002 | -0.015 | 12.759 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 14 | GLY | 0 | 0.024 | -0.002 | 15.352 | -1.034 | -1.034 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 15 | TRP | 0 | -0.030 | -0.023 | 15.681 | 0.414 | 0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 16 | GLY | 0 | 0.026 | 0.025 | 20.162 | -0.406 | -0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 17 | TYR | 0 | -0.025 | -0.052 | 23.530 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 18 | ALA | 0 | 0.003 | 0.003 | 26.503 | -0.406 | -0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 19 | PRO | 0 | 0.021 | 0.021 | 25.574 | 0.477 | 0.477 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 20 | GLY | 0 | -0.001 | -0.004 | 25.135 | -0.458 | -0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 21 | MET | 0 | -0.093 | -0.041 | 24.992 | -0.273 | -0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 22 | GLN | 0 | -0.030 | -0.007 | 19.562 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 23 | THR | 0 | 0.062 | 0.025 | 17.467 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 24 | LEU | 0 | 0.013 | -0.012 | 17.540 | 0.508 | 0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 25 | GLU | -1 | -0.916 | -0.961 | 13.268 | 20.760 | 20.760 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 26 | ALA | 0 | 0.028 | 0.021 | 12.784 | 1.808 | 1.808 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 27 | LEU | 0 | -0.013 | -0.019 | 13.954 | 0.800 | 0.800 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 28 | ASP | -1 | -0.799 | -0.870 | 11.509 | 25.638 | 25.638 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 29 | ALA | 0 | -0.003 | -0.001 | 9.078 | 2.184 | 2.184 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 30 | VAL | 0 | 0.002 | 0.001 | 9.445 | 1.957 | 1.957 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 31 | ARG | 1 | 0.850 | 0.923 | 11.535 | -20.309 | -20.309 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 32 | ARG | 1 | 0.784 | 0.872 | 6.403 | -31.251 | -31.251 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 33 | ALA | 0 | 0.014 | 0.027 | 6.171 | 3.705 | 3.705 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 34 | ASP | -1 | -0.852 | -0.909 | 4.738 | 35.738 | 35.799 | -0.001 | -0.003 | -0.057 | 0.000 |
30 | A | 35 | VAL | 0 | -0.041 | -0.024 | 8.073 | -3.047 | -3.047 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 36 | VAL | 0 | -0.012 | -0.009 | 10.734 | 1.422 | 1.422 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 37 | TYR | 0 | 0.043 | 0.023 | 12.814 | -1.781 | -1.781 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 38 | VAL | 0 | -0.018 | -0.018 | 15.843 | 0.526 | 0.526 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 39 | GLU | -1 | -0.711 | -0.791 | 18.985 | 12.814 | 12.814 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 40 | SER | 0 | -0.031 | -0.049 | 22.011 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 41 | TYR | 0 | 0.007 | 0.021 | 22.765 | -0.629 | -0.629 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 42 | THR | 0 | -0.081 | -0.069 | 24.195 | -0.494 | -0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 43 | MET | 0 | -0.055 | -0.025 | 27.065 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 44 | PRO | 0 | 0.042 | 0.028 | 28.893 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 45 | GLY | 0 | -0.009 | -0.006 | 31.363 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 46 | SER | 0 | -0.039 | -0.030 | 26.969 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 47 | SER | 0 | 0.020 | 0.000 | 27.244 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 48 | TRP | 0 | -0.035 | -0.011 | 24.013 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 49 | LEU | 0 | -0.004 | 0.011 | 21.158 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 50 | TYR | 0 | 0.032 | 0.007 | 21.086 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 51 | LYS | 1 | 0.848 | 0.898 | 22.110 | -11.099 | -11.099 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 52 | SER | 0 | -0.021 | 0.002 | 22.811 | 0.427 | 0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 53 | VAL | 0 | 0.037 | 0.011 | 16.851 | 0.481 | 0.481 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 54 | VAL | 0 | 0.018 | 0.010 | 18.038 | 0.824 | 0.824 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 55 | GLU | -1 | -0.853 | -0.911 | 19.440 | 12.389 | 12.389 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 56 | ALA | 0 | -0.075 | -0.028 | 16.732 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 57 | ALA | 0 | -0.001 | -0.010 | 14.458 | 1.020 | 1.020 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 58 | GLY | 0 | -0.030 | 0.000 | 15.002 | 0.556 | 0.556 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 59 | GLU | -1 | -0.939 | -0.970 | 17.735 | 12.798 | 12.798 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 60 | ALA | 0 | -0.016 | -0.017 | 16.534 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 61 | ARG | 1 | 0.841 | 0.906 | 9.817 | -24.284 | -24.284 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 62 | VAL | 0 | -0.023 | 0.012 | 14.927 | 0.643 | 0.643 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 63 | VAL | 0 | -0.022 | -0.005 | 16.601 | -0.980 | -0.980 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 64 | GLU | -1 | -0.814 | -0.896 | 18.733 | 13.154 | 13.154 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 65 | ALA | 0 | -0.008 | 0.004 | 19.280 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 66 | SER | 0 | -0.023 | -0.043 | 21.440 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 67 | ARG | 1 | 0.880 | 0.899 | 23.505 | -10.663 | -10.663 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 68 | ARG | 0 | 0.017 | -0.008 | 24.613 | 0.388 | 0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 69 | ASP | -1 | -0.774 | -0.853 | 20.985 | 12.562 | 12.562 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 70 | LEU | 0 | -0.021 | -0.010 | 18.010 | 0.590 | 0.590 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 71 | GLU | -1 | -0.826 | -0.865 | 20.905 | 11.875 | 11.875 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 72 | GLU | -1 | -0.865 | -0.908 | 23.762 | 10.166 | 10.166 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 73 | ARG | 1 | 0.722 | 0.842 | 21.306 | -11.840 | -11.840 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 74 | SER | 0 | 0.007 | -0.003 | 18.738 | 0.372 | 0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 75 | ARG | 1 | 0.890 | 0.914 | 16.918 | -12.940 | -12.940 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 76 | GLU | -1 | -0.838 | -0.899 | 16.209 | 15.617 | 15.617 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 77 | ILE | 0 | -0.050 | -0.013 | 13.603 | 1.077 | 1.077 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 78 | VAL | 0 | -0.026 | -0.014 | 12.235 | 1.667 | 1.667 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 79 | SER | 0 | -0.016 | -0.025 | 10.219 | 1.287 | 1.287 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 80 | ARG | 1 | 0.791 | 0.912 | 7.977 | -25.826 | -25.826 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 81 | ALA | 0 | -0.069 | -0.034 | 11.586 | -1.412 | -1.412 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 82 | LEU | 0 | -0.011 | -0.010 | 8.848 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 83 | ASP | -1 | -0.805 | -0.899 | 5.003 | 31.253 | 31.483 | -0.001 | -0.023 | -0.206 | 0.000 |
79 | A | 84 | ALA | 0 | 0.007 | 0.011 | 3.515 | -0.210 | 0.029 | 0.009 | -0.059 | -0.188 | 0.000 |
80 | A | 85 | VAL | 0 | 0.029 | 0.013 | 2.414 | -2.686 | -1.193 | 2.020 | -1.259 | -2.253 | 0.007 |
81 | A | 86 | VAL | 0 | 0.018 | 0.016 | 4.618 | -4.069 | -4.001 | -0.001 | -0.012 | -0.054 | 0.000 |
82 | A | 87 | ALA | 0 | -0.017 | -0.014 | 8.399 | 1.348 | 1.348 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 88 | VAL | 0 | -0.003 | -0.010 | 11.117 | -1.541 | -1.541 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 89 | VAL | 0 | -0.043 | -0.009 | 14.742 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 90 | THR | 0 | 0.018 | -0.013 | 17.269 | -0.489 | -0.489 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 91 | ALA | 0 | -0.011 | -0.003 | 20.667 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 92 | GLY | 0 | -0.029 | -0.027 | 23.571 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 93 | ASP | -1 | -0.757 | -0.885 | 20.704 | 15.648 | 15.648 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 94 | PRO | 0 | 0.032 | 0.038 | 17.286 | -0.621 | -0.621 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 95 | MET | 0 | 0.007 | 0.018 | 17.482 | -0.418 | -0.418 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 96 | VAL | 0 | -0.073 | -0.038 | 22.176 | -0.707 | -0.707 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 97 | ALA | 0 | -0.040 | -0.022 | 25.482 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 98 | THR | 0 | -0.028 | -0.018 | 22.777 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 99 | THR | 0 | 0.011 | -0.027 | 24.540 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 100 | HIS | 1 | 0.814 | 0.901 | 19.075 | -14.015 | -14.015 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 101 | SER | 0 | 0.063 | 0.028 | 19.017 | 0.813 | 0.813 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 102 | SER | 0 | -0.042 | -0.027 | 20.116 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 103 | LEU | 0 | 0.052 | 0.023 | 15.318 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 104 | ALA | 0 | -0.023 | -0.012 | 15.404 | 1.025 | 1.025 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 105 | ALA | 0 | -0.005 | 0.003 | 16.079 | 0.801 | 0.801 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 106 | GLU | -1 | -0.790 | -0.877 | 17.209 | 15.574 | 15.574 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 107 | ALA | 0 | 0.021 | 0.009 | 12.585 | 0.398 | 0.398 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 108 | LEU | 0 | -0.039 | -0.023 | 13.478 | 1.000 | 1.000 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 109 | GLU | -1 | -0.980 | -0.981 | 14.936 | 14.762 | 14.762 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 110 | ALA | 0 | -0.057 | -0.015 | 14.238 | -0.303 | -0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 111 | GLY | 0 | -0.013 | -0.013 | 12.656 | 0.768 | 0.768 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 112 | VAL | 0 | -0.037 | -0.004 | 8.585 | 2.223 | 2.223 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 113 | ALA | 0 | 0.000 | -0.003 | 6.860 | -1.909 | -1.909 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 114 | VAL | 0 | -0.011 | 0.001 | 8.484 | 2.076 | 2.076 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 115 | ARG | 1 | 0.878 | 0.933 | 7.497 | -31.278 | -31.278 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 116 | TYR | 0 | -0.044 | -0.045 | 10.823 | -0.399 | -0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 117 | ILE | 0 | -0.013 | -0.003 | 10.573 | 0.674 | 0.674 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 118 | PRO | 0 | 0.016 | 0.020 | 14.515 | -0.814 | -0.814 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 119 | GLY | 0 | 0.024 | 0.013 | 18.336 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 120 | VAL | 0 | -0.020 | -0.012 | 20.865 | -0.503 | -0.503 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 121 | SER | 0 | 0.063 | 0.029 | 24.654 | -0.345 | -0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 122 | GLY | 0 | 0.064 | 0.018 | 26.211 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 123 | VAL | 0 | 0.013 | 0.005 | 29.516 | -0.338 | -0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 124 | GLN | 0 | 0.011 | 0.008 | 25.760 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 125 | ALA | 0 | 0.004 | 0.007 | 30.125 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 126 | ALA | 0 | 0.029 | 0.017 | 31.722 | -0.295 | -0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 127 | ARG | 1 | 0.869 | 0.919 | 32.663 | -9.645 | -9.645 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 128 | GLY | 0 | 0.007 | 0.015 | 34.061 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 129 | ALA | 0 | -0.002 | 0.003 | 35.368 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 130 | THR | 0 | -0.004 | -0.016 | 37.541 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 131 | MET | 0 | -0.065 | -0.032 | 39.273 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 132 | LEU | 0 | -0.018 | -0.001 | 40.579 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 133 | SER | 0 | -0.011 | -0.016 | 39.486 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 134 | PHE | 0 | 0.040 | 0.015 | 31.056 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 135 | TYR | 0 | -0.002 | -0.014 | 35.690 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 136 | ARG | 1 | 0.750 | 0.865 | 38.025 | -7.220 | -7.220 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 137 | PHE | 0 | -0.031 | -0.011 | 35.962 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 138 | GLY | 0 | 0.034 | 0.036 | 36.490 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 139 | GLY | 0 | -0.017 | -0.010 | 35.306 | 0.305 | 0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 140 | THR | 0 | -0.009 | -0.006 | 33.076 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 141 | VAL | 0 | -0.028 | -0.009 | 35.363 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 142 | THR | 0 | 0.034 | 0.008 | 33.981 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 143 | LEU | 0 | -0.011 | -0.001 | 37.053 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 144 | PRO | 0 | 0.014 | 0.007 | 38.980 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 145 | GLY | 0 | 0.077 | 0.015 | 39.429 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 146 | PRO | 0 | -0.009 | -0.004 | 41.266 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 147 | TRP | 0 | -0.010 | -0.017 | 37.714 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 148 | ARG | 1 | 0.825 | 0.903 | 35.136 | -8.579 | -8.579 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 149 | GLY | 0 | -0.004 | 0.010 | 40.486 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 150 | VAL | 0 | -0.019 | -0.011 | 41.883 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 151 | THR | 0 | 0.027 | 0.024 | 44.348 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 152 | PRO | 0 | -0.022 | 0.004 | 42.674 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 153 | ILE | 0 | 0.034 | 0.015 | 44.232 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 154 | SER | 0 | 0.008 | 0.000 | 41.631 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 155 | VAL | 0 | -0.032 | -0.020 | 39.565 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 156 | ALA | 0 | 0.048 | 0.014 | 42.211 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 157 | ARG | 1 | 0.857 | 0.918 | 43.728 | -7.098 | -7.098 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 158 | ARG | 1 | 0.865 | 0.924 | 36.088 | -8.589 | -8.589 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 159 | ILE | 0 | -0.019 | 0.005 | 42.402 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 160 | TYR | 0 | -0.036 | -0.057 | 43.839 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 161 | LEU | 0 | -0.002 | 0.003 | 42.954 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 162 | ASN | 0 | -0.043 | -0.026 | 39.240 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 163 | LEU | 0 | -0.014 | -0.002 | 42.909 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 164 | CYS | 0 | -0.100 | -0.036 | 46.407 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 165 | ALA | 0 | -0.013 | 0.011 | 42.939 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 166 | GLY | 0 | 0.001 | 0.008 | 44.568 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 167 | LEU | 0 | -0.036 | -0.028 | 39.309 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 168 | HIS | 0 | -0.029 | -0.031 | 40.326 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 169 | THR | 0 | 0.063 | 0.043 | 39.562 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 170 | THR | 0 | -0.023 | 0.001 | 34.742 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 171 | ALA | 0 | 0.019 | -0.002 | 37.550 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 172 | LEU | 0 | 0.024 | 0.007 | 31.934 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 173 | LEU | 0 | -0.010 | 0.009 | 36.264 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 174 | ASP | -1 | -0.734 | -0.848 | 35.494 | 8.979 | 8.979 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 175 | VAL | 0 | 0.006 | -0.006 | 31.670 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 176 | ASP | -1 | -0.770 | -0.870 | 35.166 | 8.324 | 8.324 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 177 | GLU | -1 | -0.956 | -0.992 | 33.828 | 8.465 | 8.465 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 178 | ARG | 1 | 0.800 | 0.890 | 33.193 | -7.888 | -7.888 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 179 | GLY | 0 | 0.042 | 0.036 | 32.418 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 180 | VAL | 0 | -0.057 | -0.029 | 33.023 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 181 | GLN | 0 | -0.016 | -0.016 | 35.449 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 182 | LEU | 0 | -0.059 | -0.013 | 37.371 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 183 | SER | 0 | 0.063 | 0.029 | 40.448 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 184 | PRO | 0 | 0.046 | 0.000 | 41.966 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 185 | GLY | 0 | 0.053 | 0.053 | 43.908 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 186 | GLN | 0 | 0.032 | 0.013 | 44.442 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 187 | GLY | 0 | 0.024 | 0.003 | 43.250 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 188 | VAL | 0 | 0.000 | -0.014 | 44.160 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 189 | SER | 0 | -0.021 | -0.013 | 46.465 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 190 | LEU | 0 | -0.014 | 0.003 | 44.375 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 191 | LEU | 0 | -0.034 | -0.013 | 44.428 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 192 | LEU | 0 | -0.012 | -0.006 | 46.703 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 193 | GLU | -1 | -0.826 | -0.892 | 50.393 | 5.816 | 5.816 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 194 | ALA | 0 | 0.010 | -0.004 | 47.345 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 195 | ASP | -1 | -0.736 | -0.855 | 49.284 | 6.213 | 6.213 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 196 | ARG | 1 | 0.773 | 0.871 | 50.990 | -6.041 | -6.041 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 197 | GLU | -1 | -0.913 | -0.952 | 50.872 | 6.135 | 6.135 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 198 | TYR | 0 | -0.043 | -0.057 | 49.334 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 199 | ALA | 0 | -0.022 | -0.009 | 51.734 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 200 | ARG | 1 | 0.946 | 0.975 | 54.346 | -5.708 | -5.708 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 201 | GLU | -1 | -0.924 | -0.971 | 50.994 | 6.202 | 6.202 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 202 | ALA | 0 | -0.028 | -0.013 | 52.571 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 203 | GLY | 0 | -0.010 | 0.011 | 54.561 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 204 | ALA | 0 | -0.042 | -0.028 | 55.691 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 205 | PRO | 0 | -0.033 | -0.013 | 57.793 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 206 | ALA | 0 | 0.052 | 0.024 | 54.564 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 207 | LEU | 0 | -0.107 | -0.064 | 53.262 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 208 | LEU | 0 | -0.003 | -0.003 | 47.057 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 209 | ALA | 0 | 0.044 | 0.024 | 50.730 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 210 | ARG | 1 | 0.835 | 0.889 | 52.781 | -5.608 | -5.608 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 211 | LEU | 0 | -0.028 | 0.005 | 48.219 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 212 | PRO | 0 | -0.002 | 0.007 | 49.471 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 213 | SER | 0 | -0.045 | -0.027 | 45.401 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 214 | VAL | 0 | -0.002 | -0.009 | 42.469 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 215 | LEU | 0 | 0.003 | 0.027 | 41.362 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 216 | VAL | 0 | -0.035 | -0.027 | 37.065 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 217 | GLU | -1 | -0.773 | -0.857 | 36.111 | 8.442 | 8.442 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 218 | ALA | 0 | -0.024 | -0.005 | 32.297 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 219 | GLY | 0 | 0.071 | 0.026 | 33.614 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 220 | ALA | 0 | 0.017 | 0.005 | 31.217 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 221 | GLY | 0 | -0.008 | -0.008 | 31.203 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 222 | GLY | 0 | -0.012 | 0.002 | 32.870 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 223 | GLY | 0 | -0.023 | 0.001 | 34.874 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 224 | HIS | 0 | -0.010 | -0.010 | 32.855 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 225 | ARG | 1 | 0.811 | 0.883 | 37.579 | -7.811 | -7.811 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 226 | VAL | 0 | 0.004 | -0.002 | 39.903 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 227 | LEU | 0 | 0.023 | 0.011 | 42.251 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 228 | TYR | 0 | -0.002 | -0.038 | 45.469 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 229 | TRP | 0 | 0.021 | 0.007 | 46.741 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 230 | SER | 0 | 0.006 | -0.002 | 49.656 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 231 | SER | 0 | -0.031 | -0.027 | 51.766 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 232 | LEU | 0 | 0.042 | 0.026 | 46.180 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 233 | GLU | -1 | -0.817 | -0.923 | 50.210 | 5.968 | 5.968 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 234 | ARG | 1 | 0.873 | 0.947 | 53.092 | -5.899 | -5.899 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 235 | LEU | 0 | 0.025 | 0.022 | 45.066 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 236 | SER | 0 | -0.069 | -0.049 | 48.962 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 237 | THR | 0 | -0.009 | -0.009 | 50.140 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 238 | ALA | 0 | -0.047 | -0.009 | 49.376 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 239 | ASP | -1 | -0.968 | -0.976 | 48.599 | 6.688 | 6.688 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 240 | VAL | 0 | -0.050 | -0.029 | 44.743 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 241 | GLU | -1 | -0.825 | -0.898 | 44.536 | 6.993 | 6.993 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 242 | GLY | 0 | -0.017 | 0.004 | 42.454 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 243 | GLY | 0 | 0.022 | 0.006 | 38.691 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 244 | VAL | 0 | -0.059 | -0.018 | 32.456 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 245 | TYR | 0 | -0.021 | -0.034 | 35.883 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 246 | SER | 0 | -0.082 | -0.041 | 35.153 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 247 | ILE | 0 | 0.030 | 0.012 | 37.256 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 248 | VAL | 0 | -0.008 | 0.002 | 38.626 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 249 | ILE | 0 | 0.021 | 0.006 | 41.064 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 250 | PRO | 0 | -0.013 | 0.005 | 43.749 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 251 | ALA | 0 | 0.062 | 0.042 | 44.669 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 252 | ARG | 1 | 0.948 | 0.968 | 46.595 | -5.892 | -5.892 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 253 | LEU | 0 | 0.045 | 0.037 | 46.457 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 254 | SER | 0 | -0.001 | -0.018 | 46.854 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 255 | GLY | 0 | 0.015 | -0.011 | 49.550 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 256 | VAL | 0 | 0.000 | -0.004 | 46.493 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 257 | GLU | -1 | -0.690 | -0.807 | 43.694 | 7.320 | 7.320 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 258 | GLU | -1 | -0.807 | -0.892 | 46.775 | 6.077 | 6.077 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 259 | TRP | 0 | -0.067 | -0.042 | 47.012 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 260 | LEU | 0 | 0.017 | 0.012 | 43.053 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 261 | LEU | 0 | 0.061 | 0.034 | 44.036 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 262 | ALA | 0 | -0.034 | -0.012 | 45.864 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 263 | ALA | 0 | -0.027 | -0.017 | 46.332 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 264 | ALA | 0 | -0.039 | -0.010 | 42.389 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 265 | SER | 0 | -0.014 | -0.025 | 43.646 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 266 | GLY | 0 | -0.023 | 0.006 | 46.195 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 267 | GLN | 0 | -0.025 | 0.014 | 49.130 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 268 | ARG | 1 | 0.945 | 0.958 | 51.396 | -5.697 | -5.697 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 269 | ARG | 1 | 0.964 | 0.985 | 51.954 | -5.989 | -5.989 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 270 | PRO | 0 | -0.008 | -0.022 | 55.371 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 271 | LEU | 0 | -0.002 | 0.033 | 49.388 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 272 | GLU | -1 | -0.915 | -0.944 | 53.855 | 5.525 | 5.525 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 273 | TYR | 0 | -0.042 | -0.040 | 53.091 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 274 | ASP | -1 | -0.707 | -0.809 | 55.248 | 5.429 | 5.429 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 275 | ARG | 1 | 0.803 | 0.890 | 55.622 | -5.650 | -5.650 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 276 | SER | 0 | -0.054 | -0.036 | 58.330 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 277 | VAL | 0 | 0.006 | 0.006 | 53.609 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 278 | TYR | 0 | 0.007 | -0.027 | 48.378 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 279 | GLH | 0 | -0.070 | -0.050 | 53.971 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 280 | THR | 0 | 0.045 | 0.010 | 56.955 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 281 | VAL | 0 | 0.016 | 0.013 | 50.306 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 282 | GLU | -1 | -0.861 | -0.922 | 53.088 | 5.861 | 5.861 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 283 | GLU | -1 | -0.824 | -0.886 | 54.053 | 5.345 | 5.345 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 284 | ASN | 0 | 0.029 | 0.012 | 54.522 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 286 | LYS | 1 | 0.830 | 0.907 | 52.565 | -5.721 | -5.721 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 287 | LYS | 1 | 0.785 | 0.885 | 55.374 | -5.513 | -5.513 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 288 | GLY | 0 | 0.016 | 0.018 | 52.760 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 289 | VAL | 0 | -0.037 | -0.022 | 52.702 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 290 | TYR | 0 | 0.029 | 0.004 | 48.448 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 291 | MET | 0 | -0.077 | -0.047 | 46.584 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 292 | GLU | -1 | -0.690 | -0.774 | 48.712 | 6.633 | 6.633 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 293 | PRO | 0 | -0.073 | -0.027 | 45.338 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 294 | VAL | 0 | 0.007 | -0.009 | 44.537 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |