![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: N9LNQ
Calculation Name: 4LN9-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4LN9
Chain ID: A
UniProt ID: O54593
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 | OptHSide |
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 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3558652.294637 |
---|---|
FMO2-HF: Nuclear repulsion | 3456846.379139 |
FMO2-HF: Total energy | -101805.915498 |
FMO2-MP2: Total energy | -102110.027118 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F027285/ligand_interaction/ligand_F027285.png)
Ligand Interaction
![ligand interaction](./Kdata/F027285/ligand_interaction/ligand_interaction_F027285.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:7:ASP)
Summations of interaction energy for
fragment #1(A:7:ASP)
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. |
-15.249 | -24.418 | 39.531 | -17.135 | -13.227 | 0.145 |
Interaction energy analysis for fragmet #1(A:7:ASP)
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 | 9 | VAL | 0 | 0.031 | 0.018 | 2.115 | -21.796 | -17.403 | 4.724 | -4.070 | -5.047 | 0.044 |
4 | A | 10 | SER | 0 | -0.090 | -0.074 | 1.594 | -45.139 | -59.105 | 34.714 | -13.203 | -7.545 | 0.096 |
5 | A | 11 | LEU | 0 | -0.078 | -0.038 | 3.475 | -15.785 | -15.381 | 0.093 | 0.138 | -0.635 | 0.005 |
6 | A | 12 | GLY | 0 | -0.025 | 0.000 | 6.018 | -6.446 | -6.446 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 13 | LEU | 0 | -0.080 | -0.030 | 6.724 | -5.402 | -5.402 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 14 | ALA | 0 | 0.039 | 0.027 | 6.497 | 5.515 | 5.515 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 15 | GLY | 0 | 0.014 | -0.013 | 6.408 | 0.335 | 0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 16 | ALA | 0 | -0.021 | -0.011 | 6.920 | -3.141 | -3.141 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 17 | ASP | -1 | -0.906 | -0.937 | 8.973 | 23.191 | 23.191 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 18 | HIS | 0 | 0.044 | -0.008 | 10.633 | -1.538 | -1.538 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 19 | PRO | 0 | -0.009 | 0.007 | 11.846 | 1.566 | 1.566 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 20 | LEU | 0 | -0.038 | -0.018 | 13.994 | -0.315 | -0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 21 | LEU | 0 | -0.012 | 0.021 | 12.385 | -0.476 | -0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 22 | GLY | 0 | -0.022 | -0.010 | 8.404 | 0.951 | 0.951 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 23 | ALA | 0 | -0.020 | -0.018 | 7.144 | 4.116 | 4.116 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 24 | VAL | 0 | 0.038 | 0.028 | 8.725 | -3.280 | -3.280 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 25 | VAL | 0 | -0.020 | -0.014 | 10.517 | 2.532 | 2.532 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 26 | GLN | 0 | 0.080 | 0.029 | 12.817 | -1.001 | -1.001 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 27 | LEU | 0 | -0.014 | -0.011 | 16.006 | 0.550 | 0.550 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 28 | PRO | 0 | 0.030 | -0.001 | 17.656 | -0.943 | -0.943 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 29 | GLN | 0 | -0.051 | -0.012 | 20.766 | -0.481 | -0.481 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 30 | SER | 0 | -0.033 | -0.033 | 22.762 | -0.439 | -0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 31 | ASP | -1 | -0.839 | -0.908 | 22.363 | 13.416 | 13.416 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 32 | GLY | 0 | 0.066 | 0.056 | 21.711 | -0.338 | -0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 33 | LEU | 0 | -0.057 | -0.025 | 16.574 | 0.872 | 0.872 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 34 | VAL | 0 | -0.017 | -0.006 | 14.870 | -0.862 | -0.862 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 35 | PHE | 0 | 0.053 | 0.037 | 13.023 | 1.841 | 1.841 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 36 | THR | 0 | -0.055 | -0.030 | 10.902 | -0.860 | -0.860 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 37 | SER | 0 | 0.011 | -0.019 | 11.292 | 2.112 | 2.112 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 38 | ARG | 1 | 0.804 | 0.897 | 11.341 | -19.792 | -19.792 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 39 | LEU | 0 | 0.034 | 0.039 | 12.966 | 0.445 | 0.445 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 40 | SER | 0 | 0.000 | -0.026 | 15.293 | -0.725 | -0.725 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 41 | LEU | 0 | 0.050 | 0.024 | 17.371 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 42 | ARG | 1 | 0.923 | 0.952 | 17.095 | -14.587 | -14.587 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 43 | SER | 0 | -0.038 | -0.009 | 13.076 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 44 | HIS | 0 | 0.070 | 0.049 | 13.152 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 45 | PRO | 0 | 0.022 | 0.007 | 17.487 | -0.714 | -0.714 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 46 | TRP | 0 | 0.021 | 0.014 | 18.527 | -1.016 | -1.016 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 47 | LEU | 0 | 0.025 | 0.010 | 18.865 | -0.544 | -0.544 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 48 | ALA | 0 | -0.063 | -0.042 | 22.862 | -0.459 | -0.459 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 49 | ASP | -1 | -0.820 | -0.880 | 25.385 | 10.505 | 10.505 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 50 | HIS | 0 | -0.027 | -0.011 | 26.731 | -0.593 | -0.593 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 51 | ALA | 0 | 0.011 | -0.001 | 27.638 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 52 | VAL | 0 | 0.003 | 0.002 | 30.112 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 53 | ARG | 1 | 0.958 | 0.970 | 33.110 | -7.895 | -7.895 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 54 | ASP | -1 | -0.896 | -0.939 | 32.457 | 8.830 | 8.830 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 55 | VAL | 0 | -0.064 | -0.022 | 28.841 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 56 | VAL | 0 | -0.009 | 0.000 | 24.185 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 57 | ILE | 0 | -0.023 | -0.011 | 25.900 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 58 | VAL | 0 | 0.018 | 0.013 | 21.240 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 59 | PRO | 0 | 0.026 | 0.033 | 24.145 | -0.295 | -0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 60 | GLY | 0 | 0.041 | 0.002 | 25.768 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 61 | THR | 0 | 0.027 | 0.001 | 26.864 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 62 | GLY | 0 | 0.022 | 0.005 | 22.775 | 0.336 | 0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 63 | LEU | 0 | -0.053 | -0.025 | 21.893 | 0.641 | 0.641 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 64 | VAL | 0 | 0.034 | 0.021 | 23.325 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 65 | GLU | -1 | -0.727 | -0.839 | 19.756 | 15.245 | 15.245 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 66 | LEU | 0 | -0.061 | -0.032 | 17.228 | 0.631 | 0.631 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 67 | ALA | 0 | -0.005 | 0.001 | 19.803 | 0.519 | 0.519 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 68 | VAL | 0 | 0.035 | 0.011 | 22.359 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 69 | ARG | 1 | 0.802 | 0.895 | 13.524 | -20.334 | -20.334 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 70 | ALA | 0 | -0.011 | -0.018 | 18.235 | 0.625 | 0.625 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 71 | GLY | 0 | 0.037 | 0.013 | 19.215 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 72 | ASP | -1 | -0.931 | -0.968 | 20.281 | 14.713 | 14.713 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 73 | GLU | -1 | -0.876 | -0.910 | 14.777 | 21.712 | 21.712 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 74 | ALA | 0 | -0.052 | -0.022 | 18.465 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 75 | GLY | 0 | -0.015 | 0.007 | 21.241 | -0.668 | -0.668 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 76 | CYS | 0 | -0.108 | -0.062 | 23.799 | -0.790 | -0.790 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 77 | PRO | 0 | 0.048 | 0.020 | 24.848 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 78 | VAL | 0 | -0.035 | -0.003 | 25.806 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 79 | LEU | 0 | 0.002 | -0.002 | 26.528 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 80 | ASP | -1 | -0.928 | -0.957 | 29.228 | 8.977 | 8.977 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 81 | GLU | -1 | -0.913 | -0.960 | 31.290 | 8.713 | 8.713 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 82 | LEU | 0 | -0.041 | -0.018 | 26.485 | 0.470 | 0.470 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 83 | VAL | 0 | 0.022 | 0.018 | 30.474 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 84 | ILE | 0 | -0.032 | -0.030 | 28.229 | 0.411 | 0.411 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 85 | GLU | -1 | -0.849 | -0.896 | 29.748 | 9.965 | 9.965 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 86 | ALA | 0 | 0.004 | -0.012 | 29.098 | -0.330 | -0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 87 | PRO | 0 | 0.043 | 0.033 | 28.159 | 0.443 | 0.443 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 88 | LEU | 0 | 0.001 | 0.008 | 20.469 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 89 | VAL | 0 | -0.024 | -0.011 | 24.427 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 90 | VAL | 0 | 0.003 | 0.003 | 20.138 | 0.527 | 0.527 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 91 | PRO | 0 | -0.031 | -0.001 | 20.749 | -0.607 | -0.607 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 92 | ARG | 1 | 0.973 | 0.973 | 22.367 | -10.139 | -10.139 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 93 | ARG | 1 | 0.908 | 0.949 | 21.902 | -11.692 | -11.692 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 94 | GLY | 0 | 0.028 | 0.020 | 18.816 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 95 | GLY | 0 | -0.023 | -0.025 | 16.212 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 96 | VAL | 0 | -0.042 | -0.021 | 17.137 | -0.714 | -0.714 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 97 | ARG | 1 | 0.942 | 0.983 | 13.168 | -17.776 | -17.776 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 98 | VAL | 0 | -0.009 | -0.026 | 15.148 | -1.190 | -1.190 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 99 | GLN | 0 | -0.009 | -0.018 | 15.370 | 0.825 | 0.825 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 100 | VAL | 0 | 0.024 | 0.021 | 16.969 | -1.069 | -1.069 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 101 | ALA | 0 | -0.003 | -0.003 | 18.151 | 0.914 | 0.914 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 102 | LEU | 0 | 0.020 | 0.019 | 20.463 | -0.720 | -0.720 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 103 | GLY | 0 | 0.013 | 0.006 | 22.182 | 0.381 | 0.381 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 104 | GLY | 0 | 0.018 | 0.001 | 24.606 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 105 | PRO | 0 | -0.073 | -0.025 | 25.610 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 106 | ALA | 0 | 0.012 | 0.008 | 28.228 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 107 | ASP | -1 | -0.934 | -0.979 | 31.806 | 9.248 | 9.248 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 108 | ASP | -1 | -0.914 | -0.934 | 33.663 | 9.530 | 9.530 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 109 | GLY | 0 | -0.018 | -0.006 | 30.279 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 110 | SER | 0 | -0.085 | -0.064 | 28.979 | 0.486 | 0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 111 | ARG | 1 | 0.819 | 0.896 | 23.499 | -13.246 | -13.246 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 112 | THR | 0 | 0.026 | 0.017 | 26.972 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 113 | VAL | 0 | 0.000 | 0.006 | 22.525 | 0.646 | 0.646 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 114 | ASP | -1 | -0.830 | -0.878 | 23.609 | 11.124 | 11.124 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 115 | VAL | 0 | -0.002 | 0.001 | 20.661 | 0.808 | 0.808 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 116 | PHE | 0 | 0.036 | 0.004 | 20.898 | -0.761 | -0.761 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 117 | SER | 0 | -0.026 | -0.018 | 19.811 | 0.541 | 0.541 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 118 | LEU | 0 | -0.016 | 0.009 | 18.121 | -0.511 | -0.511 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 119 | ARG | 1 | 0.898 | 0.944 | 18.892 | -11.138 | -11.138 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 120 | GLU | -1 | -0.773 | -0.873 | 16.097 | 16.071 | 16.071 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 121 | ASP | -1 | -0.903 | -0.951 | 19.743 | 11.870 | 11.870 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 122 | ALA | 0 | -0.049 | -0.016 | 22.668 | -0.318 | -0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 123 | ASP | -1 | -0.884 | -0.940 | 22.909 | 11.669 | 11.669 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 124 | SER | 0 | -0.041 | -0.019 | 24.676 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 125 | TRP | 0 | -0.023 | -0.025 | 16.511 | 0.362 | 0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 126 | LEU | 0 | -0.021 | -0.005 | 23.694 | -0.462 | -0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 127 | ARG | 1 | 0.783 | 0.847 | 24.424 | -10.163 | -10.163 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 128 | HIS | 1 | 0.772 | 0.858 | 23.431 | -12.406 | -12.406 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 129 | ALA | 0 | 0.050 | 0.022 | 25.881 | -0.319 | -0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 130 | THR | 0 | -0.026 | -0.015 | 26.517 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 131 | GLY | 0 | 0.029 | 0.003 | 28.138 | -0.356 | -0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 132 | VAL | 0 | 0.012 | 0.015 | 28.983 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 133 | LEU | 0 | -0.028 | -0.011 | 23.864 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 134 | VAL | 0 | 0.036 | 0.009 | 28.086 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 135 | PRO | 0 | 0.055 | 0.020 | 28.664 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 136 | GLU | -1 | -0.809 | -0.882 | 29.519 | 9.585 | 9.585 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 137 | ASN | 0 | -0.058 | -0.026 | 31.334 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 138 | ARG | 1 | 0.930 | 0.951 | 34.510 | -8.234 | -8.234 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 139 | PRO | 0 | 0.031 | 0.035 | 32.840 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 140 | ARG | 1 | 0.939 | 0.970 | 34.498 | -8.968 | -8.968 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 141 | GLY | 0 | -0.005 | -0.003 | 35.523 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 142 | THR | 0 | -0.001 | -0.004 | 36.640 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 143 | ALA | 0 | -0.002 | -0.003 | 38.283 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 144 | ALA | 0 | -0.047 | -0.022 | 39.491 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 145 | PHE | 0 | -0.051 | -0.032 | 42.134 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 146 | ASP | -1 | -0.844 | -0.933 | 42.987 | 6.997 | 6.997 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 147 | PHE | 0 | -0.045 | -0.036 | 39.515 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 148 | ALA | 0 | -0.015 | 0.002 | 42.775 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 149 | ALA | 0 | -0.037 | 0.000 | 44.591 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 150 | TRP | 0 | -0.079 | -0.047 | 40.897 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 151 | PRO | 0 | 0.017 | -0.016 | 45.403 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 152 | PRO | 0 | 0.014 | 0.023 | 45.280 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 153 | PRO | 0 | 0.040 | 0.015 | 48.286 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 154 | GLU | -1 | -0.955 | -0.975 | 52.094 | 5.651 | 5.651 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 155 | ALA | 0 | -0.031 | 0.000 | 48.386 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 156 | LYS | 1 | 0.879 | 0.933 | 50.498 | -5.874 | -5.874 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 157 | PRO | 0 | 0.022 | 0.012 | 47.869 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 158 | VAL | 0 | -0.050 | -0.025 | 45.851 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 159 | ASP | -1 | -0.847 | -0.908 | 46.361 | 6.648 | 6.648 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 160 | LEU | 0 | -0.002 | -0.008 | 40.902 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 161 | THR | 0 | -0.049 | -0.041 | 43.789 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 162 | GLY | 0 | 0.016 | 0.014 | 44.182 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 163 | ALA | 0 | 0.028 | 0.021 | 42.190 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 164 | TYR | 0 | -0.037 | -0.077 | 35.025 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 165 | ASP | -1 | -0.918 | -0.953 | 39.134 | 7.674 | 7.674 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 166 | VAL | 0 | 0.031 | 0.021 | 41.468 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 167 | LEU | 0 | -0.055 | -0.030 | 38.217 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 168 | ALA | 0 | -0.003 | -0.004 | 38.018 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 169 | ASP | -1 | -0.931 | -0.951 | 38.962 | 7.102 | 7.102 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 170 | VAL | 0 | -0.095 | -0.041 | 41.414 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 171 | GLY | 0 | -0.030 | -0.021 | 38.746 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 172 | TYR | 0 | -0.049 | -0.037 | 35.126 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 173 | GLY | 0 | 0.047 | 0.032 | 33.693 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 174 | TYR | 0 | -0.030 | -0.018 | 31.364 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 175 | GLY | 0 | 0.019 | 0.008 | 30.149 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 176 | PRO | 0 | -0.016 | -0.035 | 29.290 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 177 | THR | 0 | -0.046 | -0.045 | 24.496 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 178 | PHE | 0 | -0.008 | -0.014 | 25.477 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 179 | ARG | 1 | 0.853 | 0.947 | 29.938 | -9.158 | -9.158 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 180 | ALA | 0 | 0.037 | 0.021 | 30.884 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 181 | VAL | 0 | -0.003 | -0.002 | 33.041 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 182 | ARG | 1 | 0.884 | 0.951 | 35.233 | -8.464 | -8.464 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 183 | ALA | 0 | 0.015 | 0.006 | 38.463 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 184 | VAL | 0 | 0.039 | 0.010 | 40.841 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 185 | TRP | 0 | -0.010 | 0.000 | 41.894 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 186 | ARG | 1 | 0.858 | 0.928 | 45.586 | -6.422 | -6.422 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 187 | ARG | 1 | 0.861 | 0.913 | 48.111 | -6.547 | -6.547 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 188 | GLY | 0 | 0.023 | 0.024 | 49.892 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 189 | SER | 0 | -0.040 | -0.025 | 52.378 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 190 | GLY | 0 | 0.076 | 0.035 | 52.173 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 191 | ASN | 0 | -0.025 | -0.016 | 48.185 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 192 | THR | 0 | 0.022 | 0.004 | 49.361 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 193 | THR | 0 | -0.082 | -0.036 | 46.836 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 194 | GLU | -1 | -0.747 | -0.844 | 45.612 | 6.839 | 6.839 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 195 | THR | 0 | -0.051 | -0.033 | 41.921 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 196 | PHE | 0 | -0.004 | 0.004 | 41.982 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 197 | ALA | 0 | 0.031 | 0.008 | 38.655 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 198 | GLU | -1 | -0.837 | -0.888 | 37.718 | 7.868 | 7.868 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 199 | ILE | 0 | -0.042 | -0.019 | 32.202 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 200 | ALA | 0 | -0.012 | -0.013 | 31.882 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 201 | LEU | 0 | -0.008 | 0.003 | 25.407 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 202 | PRO | 0 | 0.000 | 0.013 | 27.838 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 203 | GLU | -1 | -0.757 | -0.878 | 27.677 | 10.960 | 10.960 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 204 | ASP | -1 | -0.955 | -0.961 | 25.270 | 11.401 | 11.401 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 205 | ALA | 0 | -0.047 | -0.026 | 23.231 | 0.598 | 0.598 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 206 | ARG | 1 | 0.797 | 0.870 | 22.927 | -10.288 | -10.288 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 207 | ALA | 0 | 0.011 | -0.011 | 19.661 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 208 | GLU | -1 | -0.863 | -0.942 | 16.490 | 18.073 | 18.073 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 209 | ALA | 0 | -0.041 | -0.020 | 19.337 | 0.380 | 0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 210 | GLY | 0 | 0.011 | 0.018 | 21.149 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 211 | ARG | 1 | 0.842 | 0.906 | 11.221 | -22.195 | -22.195 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 212 | PHE | 0 | -0.077 | -0.032 | 17.107 | 0.846 | 0.846 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 213 | GLY | 0 | 0.065 | 0.020 | 19.447 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 214 | ILE | 0 | -0.012 | -0.016 | 21.750 | -0.657 | -0.657 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 215 | HIS | 0 | 0.070 | 0.038 | 22.072 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 216 | PRO | 0 | 0.030 | 0.008 | 21.711 | -0.596 | -0.596 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 217 | ALA | 0 | -0.003 | 0.003 | 24.693 | -0.514 | -0.514 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 218 | LEU | 0 | -0.010 | 0.006 | 26.548 | -0.449 | -0.449 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 219 | LEU | 0 | 0.024 | 0.011 | 27.492 | -0.423 | -0.423 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 220 | ASP | -1 | -0.844 | -0.933 | 28.706 | 9.590 | 9.590 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 221 | ALA | 0 | 0.049 | 0.022 | 30.497 | -0.361 | -0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 222 | ALA | 0 | -0.029 | -0.006 | 32.185 | -0.358 | -0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 223 | LEU | 0 | 0.001 | 0.011 | 32.031 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 224 | HIS | 0 | -0.016 | 0.014 | 32.388 | -0.477 | -0.477 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 225 | SER | 0 | 0.000 | -0.003 | 36.325 | -0.331 | -0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 226 | THR | 0 | -0.021 | -0.023 | 38.599 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 227 | MET | 0 | -0.037 | -0.007 | 36.599 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 228 | VAL | 0 | 0.031 | 0.013 | 38.137 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 229 | SER | 0 | 0.006 | 0.003 | 41.115 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 230 | ALA | 0 | -0.041 | -0.023 | 43.920 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 231 | ALA | 0 | -0.013 | 0.005 | 43.067 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 232 | ALA | 0 | 0.038 | 0.036 | 45.075 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 233 | ASP | -1 | -1.048 | -1.024 | 47.335 | 6.010 | 6.010 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 241 | VAL | 0 | 0.009 | 0.012 | 37.325 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 242 | ARG | 1 | 0.860 | 0.924 | 38.677 | -7.646 | -7.646 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 243 | LEU | 0 | 0.017 | 0.014 | 32.276 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 244 | PRO | 0 | 0.039 | 0.007 | 31.649 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 245 | PHE | 0 | -0.014 | -0.010 | 33.401 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 246 | ALA | 0 | 0.031 | 0.015 | 33.710 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 247 | TRP | 0 | 0.007 | -0.001 | 30.532 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 248 | ASN | 0 | 0.034 | 0.001 | 33.489 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 249 | GLY | 0 | 0.062 | 0.041 | 34.023 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 250 | LEU | 0 | -0.080 | -0.035 | 28.014 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 251 | ARG | 1 | 0.866 | 0.904 | 29.655 | -9.303 | -9.303 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 252 | LEU | 0 | -0.002 | 0.007 | 23.893 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 253 | HIS | 0 | -0.053 | -0.043 | 27.955 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 254 | ALA | 0 | 0.019 | 0.005 | 27.592 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 255 | ALA | 0 | -0.019 | -0.007 | 22.320 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 256 | GLY | 0 | 0.014 | 0.023 | 22.772 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 257 | ALA | 0 | -0.017 | -0.004 | 23.432 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 258 | SER | 0 | 0.017 | -0.019 | 26.066 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 259 | VAL | 0 | -0.049 | -0.030 | 27.954 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 260 | LEU | 0 | -0.002 | -0.001 | 30.496 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 261 | ARG | 1 | 0.822 | 0.898 | 33.822 | -8.126 | -8.126 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 262 | VAL | 0 | -0.005 | -0.011 | 34.920 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 263 | ARG | 1 | 0.872 | 0.919 | 37.880 | -7.447 | -7.447 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 264 | VAL | 0 | 0.001 | -0.002 | 38.033 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 265 | ALA | 0 | -0.012 | -0.011 | 40.726 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 266 | LYS | 1 | 0.917 | 0.958 | 42.396 | -6.631 | -6.631 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 267 | PRO | 0 | -0.022 | 0.004 | 41.959 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 268 | GLU | -1 | -0.874 | -0.926 | 44.897 | 6.534 | 6.534 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 269 | ARG | 1 | 0.890 | 0.934 | 45.843 | -6.045 | -6.045 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 270 | ASP | -1 | -0.958 | -0.982 | 43.896 | 7.229 | 7.229 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 271 | SER | 0 | -0.012 | -0.009 | 40.959 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 272 | LEU | 0 | -0.027 | -0.017 | 38.153 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 273 | SER | 0 | -0.001 | 0.013 | 38.512 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 274 | LEU | 0 | -0.009 | -0.023 | 33.323 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 275 | GLU | -1 | -0.810 | -0.895 | 36.327 | 8.173 | 8.173 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 276 | ALA | 0 | 0.025 | 0.004 | 33.252 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 277 | VAL | 0 | 0.016 | 0.016 | 34.371 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 278 | ASP | -1 | -0.756 | -0.858 | 31.663 | 9.683 | 9.683 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 279 | GLU | -1 | -0.818 | -0.892 | 33.694 | 8.066 | 8.066 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 280 | SER | 0 | -0.148 | -0.082 | 34.388 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 281 | GLY | 0 | -0.007 | -0.009 | 36.499 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 282 | GLY | 0 | -0.013 | 0.004 | 34.438 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 283 | LEU | 0 | -0.032 | -0.021 | 33.758 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 284 | VAL | 0 | 0.001 | 0.009 | 28.697 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 285 | VAL | 0 | -0.002 | -0.003 | 29.682 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 286 | THR | 0 | -0.024 | 0.003 | 31.528 | -0.358 | -0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 287 | LEU | 0 | -0.049 | -0.022 | 32.918 | 0.320 | 0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 288 | ASP | -1 | -0.872 | -0.939 | 34.934 | 8.348 | 8.348 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 289 | SER | 0 | -0.015 | -0.022 | 36.727 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 290 | LEU | 0 | -0.027 | 0.008 | 33.808 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 291 | VAL | 0 | 0.058 | 0.041 | 36.836 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 292 | GLY | 0 | 0.034 | 0.020 | 37.032 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 293 | ARG | 1 | 0.856 | 0.916 | 37.240 | -8.375 | -8.375 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 294 | PRO | 0 | 0.015 | 0.024 | 38.073 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |