FMODB ID: GN3N1
Calculation Name: 3OC5-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3OC5
Chain ID: A
UniProt ID: P0C6Q5
Base Structure: X-ray
Registration Date: 2023-06-20
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 | 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 | 293 |
LigandCharge | DGL=-1 |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4018526.330709 |
---|---|
FMO2-HF: Nuclear repulsion | 3902007.352454 |
FMO2-HF: Total energy | -116518.978255 |
FMO2-MP2: Total energy | -116860.576794 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:25:DGL)
Summations of interaction energy for
fragment #1(A:25:DGL)
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. |
12.204 | 16.451 | 2.822 | -2.536 | -4.534 | 0.006 |
Interaction energy analysis for fragmet #1(A:25:DGL)
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 | 27 | LEU | 0 | 0.021 | -0.010 | 3.621 | -8.349 | -5.684 | 0.024 | -1.420 | -1.269 | 0.009 |
4 | A | 28 | ARG | 1 | 0.897 | 0.948 | 5.077 | -37.487 | -37.487 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 29 | TYR | 0 | 0.060 | 0.073 | 2.281 | -6.901 | -5.518 | 2.800 | -1.082 | -3.102 | -0.003 |
6 | A | 30 | PRO | 0 | 0.017 | 0.007 | 4.366 | -2.643 | -2.543 | -0.001 | -0.032 | -0.068 | 0.000 |
7 | A | 31 | TYR | 0 | 0.052 | -0.008 | 6.369 | -1.463 | -1.463 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 32 | LEU | 0 | -0.038 | -0.019 | 6.707 | -2.394 | -2.394 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 33 | GLU | -1 | -0.750 | -0.866 | 4.931 | 46.943 | 47.042 | -0.001 | -0.002 | -0.095 | 0.000 |
10 | A | 34 | CYS | 0 | -0.034 | 0.004 | 8.201 | -1.430 | -1.430 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 35 | ILE | 0 | -0.010 | 0.008 | 11.106 | -1.833 | -1.833 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 36 | LYS | 1 | 0.796 | 0.893 | 7.125 | -41.347 | -41.347 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 37 | ILE | 0 | -0.040 | -0.008 | 11.551 | -1.339 | -1.339 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 38 | GLY | 0 | 0.023 | 0.005 | 14.036 | -1.183 | -1.183 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 39 | MET | 0 | -0.042 | 0.009 | 14.598 | -0.602 | -0.602 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 40 | SER | 0 | -0.011 | -0.030 | 16.289 | 0.711 | 0.711 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 41 | ARG | 1 | 0.938 | 0.944 | 15.740 | -17.215 | -17.215 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 42 | ASP | -1 | -0.882 | -0.914 | 18.242 | 13.497 | 13.497 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 43 | TYR | 0 | 0.006 | 0.020 | 19.610 | -0.549 | -0.549 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 44 | LEU | 0 | 0.024 | 0.017 | 12.462 | 0.575 | 0.575 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 45 | GLU | -1 | -0.782 | -0.891 | 14.812 | 15.694 | 15.694 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 46 | ASN | 0 | 0.046 | -0.003 | 16.474 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 48 | VAL | 0 | 0.020 | 0.012 | 10.889 | 1.581 | 1.581 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 49 | LYS | 1 | 0.745 | 0.870 | 13.094 | -14.793 | -14.793 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 50 | VAL | 0 | 0.029 | 0.009 | 15.010 | -0.815 | -0.815 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 51 | SER | 0 | -0.020 | 0.002 | 12.430 | 0.689 | 0.689 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 52 | PHE | 0 | 0.001 | -0.018 | 6.162 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 53 | PRO | 0 | -0.007 | 0.008 | 12.013 | -0.705 | -0.705 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 54 | THR | 0 | 0.023 | 0.009 | 14.869 | 0.775 | 0.775 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 55 | SER | 0 | -0.027 | -0.029 | 16.580 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 56 | GLN | 0 | -0.068 | -0.051 | 14.471 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 57 | ASP | -1 | -0.779 | -0.897 | 12.900 | 19.825 | 19.825 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 58 | MET | 0 | -0.014 | 0.004 | 7.812 | 0.598 | 0.598 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 59 | PHE | 0 | -0.030 | -0.004 | 8.791 | 2.676 | 2.676 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 60 | TYR | 0 | 0.010 | -0.024 | 10.686 | 0.384 | 0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 61 | ASP | -1 | -0.891 | -0.928 | 6.125 | 32.671 | 32.671 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 62 | ALA | 0 | -0.058 | -0.010 | 6.823 | 3.872 | 3.872 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 63 | TYR | 0 | -0.051 | -0.030 | 8.592 | -1.138 | -1.138 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 64 | PRO | 0 | 0.006 | -0.001 | 10.218 | 1.353 | 1.353 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 65 | SER | 0 | -0.015 | -0.005 | 11.212 | -0.989 | -0.989 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 66 | THR | 0 | -0.050 | -0.032 | 13.304 | -0.581 | -0.581 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 67 | GLU | -1 | -0.851 | -0.940 | 16.881 | 14.994 | 14.994 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 68 | SER | 0 | -0.032 | -0.034 | 20.490 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 69 | ASP | -1 | -0.896 | -0.917 | 20.629 | 13.086 | 13.086 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 70 | GLY | 0 | -0.011 | -0.025 | 20.535 | -0.541 | -0.541 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 71 | ALA | 0 | -0.042 | -0.008 | 16.054 | 0.756 | 0.756 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 72 | LYS | 1 | 0.812 | 0.906 | 9.827 | -26.305 | -26.305 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 73 | THR | 0 | -0.043 | -0.021 | 16.019 | -0.516 | -0.516 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 74 | ARG | 1 | 0.851 | 0.919 | 14.861 | -17.141 | -17.141 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 75 | THR | 0 | 0.000 | -0.029 | 15.070 | 1.125 | 1.125 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 76 | LYS | 1 | 0.857 | 0.917 | 16.648 | -17.894 | -17.894 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 77 | GLU | -1 | -0.819 | -0.893 | 18.171 | 15.310 | 15.310 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 78 | ASP | -1 | -0.769 | -0.816 | 20.349 | 13.200 | 13.200 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 79 | PHE | 0 | 0.040 | 0.013 | 18.824 | -0.608 | -0.608 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 80 | SER | 0 | -0.006 | -0.003 | 21.084 | -0.738 | -0.738 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 81 | ALA | 0 | 0.005 | -0.003 | 23.514 | -0.588 | -0.588 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 82 | ARG | 1 | 0.779 | 0.861 | 22.915 | -13.241 | -13.241 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 83 | LEU | 0 | -0.027 | -0.009 | 23.558 | -0.414 | -0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 84 | LEU | 0 | -0.042 | -0.024 | 26.194 | -0.450 | -0.450 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 85 | ALA | 0 | -0.040 | -0.022 | 29.026 | -0.410 | -0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 86 | GLY | 0 | 0.017 | 0.018 | 29.746 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 87 | ASP | -1 | -0.824 | -0.879 | 27.410 | 11.236 | 11.236 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 88 | TYR | 0 | 0.041 | -0.013 | 25.783 | 0.396 | 0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 89 | ASP | -1 | -0.826 | -0.861 | 25.264 | 11.084 | 11.084 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 90 | SER | 0 | -0.046 | -0.050 | 24.954 | 0.472 | 0.472 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 91 | LEU | 0 | 0.008 | 0.010 | 21.065 | 0.604 | 0.604 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 92 | GLN | 0 | -0.041 | -0.032 | 20.659 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 93 | LYS | 1 | 0.895 | 0.932 | 20.574 | -10.416 | -10.416 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 94 | LEU | 0 | -0.057 | -0.010 | 19.773 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 95 | TYR | 0 | -0.026 | -0.045 | 16.167 | 1.242 | 1.242 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 96 | ILE | 0 | -0.014 | 0.005 | 15.927 | 1.085 | 1.085 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 97 | ASP | -1 | -0.848 | -0.921 | 16.577 | 14.395 | 14.395 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 98 | PHE | 0 | -0.064 | -0.035 | 14.701 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 99 | TYR | 0 | -0.063 | -0.029 | 10.037 | 1.636 | 1.636 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 100 | LEU | 0 | -0.035 | -0.034 | 10.476 | 1.882 | 1.882 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 101 | ALA | 0 | 0.063 | 0.061 | 7.304 | 1.604 | 1.604 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 102 | GLN | 0 | -0.006 | -0.021 | 6.782 | -1.940 | -1.940 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 103 | THR | 0 | -0.070 | -0.039 | 6.609 | -1.859 | -1.859 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 104 | THR | 0 | 0.008 | 0.013 | 8.744 | -1.952 | -1.952 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 105 | PHE | 0 | 0.045 | 0.011 | 11.773 | 0.619 | 0.619 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 106 | ASP | -1 | -0.797 | -0.848 | 14.349 | 14.470 | 14.470 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 107 | TRP | 0 | -0.003 | 0.003 | 11.255 | -0.958 | -0.958 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 108 | GLU | -1 | -0.797 | -0.876 | 17.158 | 11.827 | 11.827 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 109 | ILE | 0 | 0.005 | 0.003 | 20.084 | 0.411 | 0.411 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 110 | PRO | 0 | 0.011 | 0.015 | 21.466 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 111 | THR | 0 | 0.025 | 0.002 | 23.849 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 112 | ARG | 1 | 0.839 | 0.880 | 27.288 | -8.999 | -8.999 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 113 | ASP | -1 | -0.845 | -0.904 | 29.626 | 9.386 | 9.386 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 114 | GLN | 0 | -0.029 | -0.011 | 22.840 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 115 | ILE | 0 | 0.044 | 0.016 | 24.986 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 116 | GLU | -1 | -0.699 | -0.830 | 26.495 | 9.338 | 9.338 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 117 | THR | 0 | -0.035 | -0.019 | 24.497 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 118 | LEU | 0 | -0.022 | -0.002 | 20.471 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 119 | VAL | 0 | 0.028 | 0.022 | 24.191 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 120 | ASN | 0 | -0.062 | -0.029 | 27.189 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 121 | TYR | 0 | 0.016 | -0.012 | 21.643 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 122 | ALA | 0 | -0.030 | 0.005 | 23.528 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 123 | ASN | 0 | -0.050 | -0.043 | 24.463 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 124 | GLU | -1 | -0.862 | -0.907 | 26.342 | 10.526 | 10.526 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 125 | GLY | 0 | -0.035 | -0.008 | 23.527 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 126 | LYS | 1 | 0.753 | 0.859 | 21.499 | -10.823 | -10.823 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 127 | LEU | 0 | -0.006 | -0.008 | 18.091 | 0.669 | 0.669 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 128 | SER | 0 | 0.023 | 0.016 | 14.726 | -0.319 | -0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 129 | THR | 0 | 0.014 | -0.009 | 16.826 | -0.671 | -0.671 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 130 | ALA | 0 | 0.029 | 0.022 | 17.763 | -0.669 | -0.669 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 131 | LEU | 0 | 0.003 | 0.010 | 16.211 | -0.845 | -0.845 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 132 | ASN | 0 | 0.005 | -0.018 | 20.098 | -0.837 | -0.837 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 133 | GLN | 0 | -0.008 | 0.003 | 22.575 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 134 | GLU | -1 | -0.872 | -0.912 | 20.543 | 13.994 | 13.994 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 135 | TYR | 0 | 0.052 | 0.003 | 20.119 | -0.536 | -0.536 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 136 | ILE | 0 | -0.022 | 0.013 | 25.398 | -0.365 | -0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 137 | THR | 0 | 0.025 | 0.009 | 28.518 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 138 | GLY | 0 | -0.022 | -0.016 | 29.270 | 0.410 | 0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 139 | ARG | 1 | 0.838 | 0.918 | 30.425 | -9.124 | -9.124 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 140 | PHE | 0 | -0.012 | -0.002 | 25.119 | 0.386 | 0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 141 | LEU | 0 | -0.014 | 0.009 | 24.906 | -0.340 | -0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 142 | THR | 0 | -0.024 | -0.013 | 26.103 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 143 | LYS | 1 | 0.862 | 0.904 | 25.596 | -11.516 | -11.516 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 144 | GLU | -1 | -0.719 | -0.852 | 28.111 | 10.071 | 10.071 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 145 | ASN | 0 | -0.040 | -0.008 | 29.882 | -0.432 | -0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 146 | GLY | 0 | -0.018 | -0.021 | 29.446 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 147 | ARG | 1 | 0.766 | 0.882 | 30.541 | -8.675 | -8.675 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 148 | TYR | 0 | 0.008 | -0.032 | 26.279 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 149 | ASP | -1 | -0.882 | -0.925 | 30.551 | 8.509 | 8.509 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 150 | ILE | 0 | -0.045 | -0.026 | 30.532 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 151 | VAL | 0 | 0.020 | 0.023 | 30.575 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 152 | ASN | 0 | -0.024 | -0.024 | 31.693 | 0.352 | 0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 153 | VAL | 0 | 0.022 | 0.018 | 29.666 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 154 | GLY | 0 | 0.052 | 0.010 | 32.936 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 155 | GLY | 0 | 0.004 | 0.018 | 35.564 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 156 | VAL | 0 | -0.036 | 0.001 | 33.468 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 157 | PRO | 0 | 0.040 | 0.011 | 36.839 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 158 | ASP | -1 | -0.773 | -0.882 | 36.888 | 8.439 | 8.439 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 159 | ASN | 0 | -0.062 | -0.022 | 36.872 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 160 | THR | 0 | -0.043 | -0.030 | 31.973 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 161 | PRO | 0 | -0.010 | -0.005 | 29.622 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 162 | VAL | 0 | -0.002 | 0.002 | 27.519 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 163 | LYS | 1 | 0.809 | 0.895 | 24.951 | -10.966 | -10.966 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 164 | LEU | 0 | 0.026 | 0.001 | 20.648 | -0.325 | -0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 165 | PRO | 0 | 0.029 | 0.031 | 20.357 | 0.564 | 0.564 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 166 | ALA | 0 | -0.014 | 0.000 | 16.665 | 0.957 | 0.957 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 167 | ILE | 0 | -0.009 | 0.014 | 14.846 | -0.954 | -0.954 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 168 | VAL | 0 | 0.033 | -0.004 | 16.685 | 0.741 | 0.741 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 169 | SER | 0 | -0.044 | -0.032 | 16.294 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 170 | LYS | 1 | 0.752 | 0.841 | 17.988 | -12.376 | -12.376 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 171 | ARG | 1 | 0.844 | 0.898 | 20.355 | -13.583 | -13.583 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 172 | GLY | 0 | 0.014 | 0.017 | 18.744 | -0.318 | -0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 173 | LEU | 0 | -0.042 | -0.015 | 19.766 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 174 | MET | 0 | 0.027 | 0.016 | 21.418 | -0.455 | -0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 175 | GLY | 0 | 0.022 | 0.029 | 25.101 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 176 | THR | 0 | -0.018 | -0.033 | 27.739 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 177 | THR | 0 | 0.026 | -0.006 | 30.653 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 178 | SER | 0 | -0.036 | 0.000 | 33.940 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 179 | VAL | 0 | -0.022 | -0.015 | 34.694 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 180 | VAL | 0 | -0.060 | -0.025 | 34.889 | -0.273 | -0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 181 | ASN | 0 | -0.031 | -0.032 | 32.018 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 182 | ALA | 0 | -0.026 | -0.006 | 30.814 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 183 | ILE | 0 | 0.044 | 0.023 | 32.831 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 184 | PRO | 0 | 0.000 | -0.006 | 35.264 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 185 | ASN | 0 | -0.008 | -0.003 | 35.945 | -0.410 | -0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 186 | GLU | -1 | -0.771 | -0.858 | 38.580 | 7.756 | 7.756 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 187 | ILE | 0 | -0.016 | -0.008 | 41.201 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 188 | TYR | 0 | -0.069 | -0.059 | 43.897 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 189 | PRO | 0 | -0.034 | -0.002 | 47.332 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 190 | HIS | 0 | -0.009 | -0.007 | 49.851 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 191 | ILE | 0 | -0.042 | -0.022 | 51.679 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 192 | LYS | 1 | 0.815 | 0.905 | 55.275 | -5.189 | -5.189 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 193 | VAL | 0 | -0.001 | -0.012 | 57.935 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 194 | TYR | 0 | -0.051 | -0.047 | 60.473 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 195 | GLU | -1 | -0.825 | -0.871 | 62.848 | 4.931 | 4.931 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 196 | GLY | 0 | 0.017 | 0.008 | 65.467 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 197 | THR | 0 | -0.050 | -0.039 | 69.028 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 198 | LEU | 0 | -0.050 | 0.003 | 63.736 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 199 | SER | 0 | -0.046 | -0.063 | 61.810 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 200 | ARG | 1 | 0.843 | 0.907 | 62.286 | -4.942 | -4.942 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 201 | LEU | 0 | -0.002 | 0.014 | 57.259 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 202 | LYS | 1 | 0.905 | 0.934 | 61.499 | -4.728 | -4.728 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 203 | PRO | 0 | 0.051 | 0.032 | 63.011 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 204 | GLY | 0 | -0.002 | 0.003 | 64.003 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 205 | GLY | 0 | -0.014 | -0.012 | 63.826 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 206 | ALA | 0 | 0.016 | 0.013 | 60.342 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 207 | MET | 0 | -0.048 | 0.005 | 56.329 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 208 | ILE | 0 | 0.010 | 0.004 | 59.159 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 209 | ALA | 0 | 0.045 | 0.004 | 56.808 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 210 | DVA | 0 | -0.020 | 0.006 | 57.393 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 211 | DLE | 0 | 0.009 | -0.005 | 53.220 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 212 | GLU | -1 | -0.757 | -0.840 | 56.776 | 5.196 | 5.196 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 213 | TYR | 0 | 0.082 | 0.030 | 49.835 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 214 | ASP | -1 | -0.782 | -0.874 | 53.859 | 5.509 | 5.509 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 215 | VAL | 0 | -0.004 | -0.003 | 52.370 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 216 | ASN | 0 | -0.043 | -0.035 | 51.236 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 217 | GLU | -1 | -0.787 | -0.875 | 48.793 | 6.375 | 6.375 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 218 | LEU | 0 | 0.032 | 0.005 | 47.763 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 219 | SER | 0 | -0.008 | -0.009 | 46.553 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 220 | LYS | 1 | 0.797 | 0.894 | 45.366 | -6.360 | -6.360 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 221 | HIS | 0 | 0.007 | 0.002 | 42.653 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 222 | GLY | 0 | 0.029 | 0.022 | 41.910 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 223 | TYR | 0 | -0.069 | -0.057 | 42.887 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 224 | THR | 0 | 0.040 | 0.012 | 46.045 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 225 | ASN | 0 | -0.029 | -0.006 | 45.052 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 226 | LEU | 0 | 0.038 | 0.006 | 48.742 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 227 | TRP | 0 | 0.029 | 0.018 | 46.799 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 228 | ASP | -1 | -0.835 | -0.889 | 44.345 | 7.019 | 7.019 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 229 | VAL | 0 | 0.007 | 0.001 | 46.362 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 230 | GLN | 0 | -0.084 | -0.041 | 44.247 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 231 | PHE | 0 | 0.019 | 0.006 | 47.038 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 232 | LYS | 1 | 0.865 | 0.925 | 41.822 | -7.209 | -7.209 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 233 | VAL | 0 | -0.017 | -0.007 | 47.657 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 234 | LEU | 0 | 0.015 | 0.013 | 45.152 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 235 | VAL | 0 | 0.003 | -0.010 | 48.820 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 236 | GLY | 0 | 0.048 | 0.018 | 48.735 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 237 | VAL | 0 | 0.013 | 0.005 | 48.097 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 238 | PRO | 0 | -0.020 | -0.003 | 46.978 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 239 | HIS | 0 | 0.030 | 0.008 | 39.647 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 240 | ALA | 0 | -0.023 | -0.020 | 44.581 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 241 | GLU | -1 | -0.903 | -0.941 | 40.172 | 7.657 | 7.657 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 242 | THR | 0 | 0.029 | 0.004 | 40.194 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 243 | GLY | 0 | 0.001 | 0.017 | 43.613 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 244 | VAL | 0 | -0.048 | -0.019 | 42.041 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 245 | ILE | 0 | -0.040 | -0.020 | 44.201 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 246 | TYR | 0 | -0.030 | -0.040 | 39.335 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 247 | ASP | -1 | -0.928 | -0.951 | 41.009 | 7.358 | 7.358 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 248 | PRO | 0 | -0.067 | -0.021 | 42.703 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 249 | VAL | 0 | 0.003 | -0.008 | 45.943 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 250 | TYR | 0 | -0.062 | -0.057 | 48.580 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 251 | GLU | -1 | -0.781 | -0.878 | 44.035 | 7.090 | 7.090 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 252 | GLU | -1 | -0.812 | -0.873 | 48.173 | 5.702 | 5.702 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 253 | THR | 0 | 0.032 | 0.030 | 45.483 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 254 | VAL | 0 | -0.025 | -0.020 | 48.541 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 255 | LYS | 1 | 0.911 | 0.948 | 48.919 | -6.177 | -6.177 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 256 | PRO | 0 | -0.019 | -0.001 | 51.595 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 257 | TYR | 0 | -0.015 | -0.015 | 54.675 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 258 | DGN | 0 | -0.046 | -0.030 | 57.230 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 259 | PRO | 0 | 0.012 | -0.002 | 57.801 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 260 | SER | 0 | -0.002 | 0.002 | 59.972 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 261 | ASN | 0 | 0.006 | -0.013 | 61.896 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 262 | ASN | 0 | -0.038 | -0.034 | 59.136 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 263 | LEU | 0 | 0.017 | 0.041 | 60.831 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 264 | THR | 0 | 0.024 | -0.006 | 62.227 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 265 | GLY | 0 | 0.018 | 0.024 | 58.471 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 266 | LYS | 1 | 0.833 | 0.908 | 57.011 | -5.304 | -5.304 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 267 | LYS | 1 | 0.860 | 0.931 | 54.308 | -5.727 | -5.727 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 268 | LEU | 0 | -0.004 | 0.025 | 56.426 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 269 | TYR | 0 | 0.017 | -0.017 | 51.795 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 270 | ASN | 0 | 0.039 | -0.007 | 56.780 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 271 | VAL | 0 | 0.058 | 0.045 | 53.487 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 272 | SER | 0 | -0.020 | -0.026 | 56.248 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 273 | THR | 0 | 0.027 | 0.024 | 54.527 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 274 | ASN | 0 | -0.001 | -0.017 | 56.237 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 275 | ASP | -1 | -0.771 | -0.892 | 57.937 | 5.379 | 5.379 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 276 | MET | 0 | -0.046 | -0.014 | 59.821 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 277 | HIS | 0 | -0.002 | -0.003 | 59.850 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 278 | ASN | 0 | -0.029 | -0.018 | 54.370 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 279 | GLY | 0 | 0.034 | 0.034 | 56.948 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 280 | TYR | 0 | 0.019 | 0.006 | 58.220 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 281 | LYS | 1 | 0.832 | 0.894 | 53.729 | -5.725 | -5.725 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 282 | TRP | 0 | 0.030 | 0.033 | 54.260 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 283 | SER | 0 | 0.007 | 0.003 | 56.369 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 284 | ASN | 0 | -0.040 | -0.037 | 58.714 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 285 | THR | 0 | 0.029 | 0.023 | 52.458 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 286 | MET | 0 | -0.018 | 0.042 | 55.643 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 287 | PHE | 0 | -0.054 | -0.041 | 56.571 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 288 | SER | 0 | -0.030 | -0.014 | 56.210 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 289 | ASN | 0 | 0.049 | 0.018 | 54.093 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 290 | SER | 0 | 0.009 | 0.011 | 56.938 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 291 | ASN | 0 | -0.020 | -0.017 | 53.617 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 292 | TYR | 0 | -0.019 | 0.010 | 51.732 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 293 | LYS | 1 | 0.807 | 0.897 | 52.348 | -5.814 | -5.814 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 294 | THR | 0 | 0.037 | -0.017 | 52.433 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 295 | GLN | 0 | -0.028 | -0.010 | 47.146 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 296 | ILE | 0 | -0.009 | -0.008 | 50.057 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 297 | LEU | 0 | -0.008 | 0.013 | 42.413 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 298 | LEU | 0 | -0.051 | -0.014 | 45.915 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 299 | THR | 0 | 0.000 | 0.003 | 41.741 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 300 | LYS | 1 | 0.875 | 0.914 | 41.094 | -7.307 | -7.307 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 301 | GLY | 0 | -0.039 | -0.017 | 43.669 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 302 | ASP | -1 | -0.836 | -0.899 | 38.464 | 7.749 | 7.749 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 303 | GLY | 0 | -0.010 | 0.003 | 39.883 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 304 | SER | 0 | -0.084 | -0.061 | 37.199 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 305 | GLY | 0 | 0.040 | 0.015 | 38.218 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 306 | VAL | 0 | 0.012 | 0.009 | 38.666 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 307 | LYS | 1 | 0.846 | 0.920 | 37.603 | -8.058 | -8.058 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 308 | LEU | 0 | 0.002 | 0.007 | 41.713 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 309 | TYR | 0 | 0.045 | 0.030 | 41.585 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 310 | SER | 0 | 0.013 | -0.005 | 47.166 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 311 | LYS | 1 | 0.950 | 0.969 | 49.750 | -5.521 | -5.521 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 312 | ALA | 0 | 0.073 | 0.049 | 49.955 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 313 | TYR | 0 | -0.037 | -0.017 | 51.868 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 314 | SER | 0 | 0.061 | 0.019 | 55.630 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 315 | GLU | -1 | -0.817 | -0.900 | 58.180 | 4.808 | 4.808 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 316 | ASN | 0 | -0.004 | -0.005 | 61.409 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 317 | PHE | 0 | 0.067 | 0.039 | 57.358 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 318 | LYS | 1 | 0.829 | 0.909 | 58.417 | -4.808 | -4.808 | 0.000 | 0.000 | 0.000 | 0.000 |