FMODB ID: LJLY9
Calculation Name: 5FHG-B-Xray323
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5FHG
Chain ID: B
Base Structure: X-ray
Registration Date: 2021-09-07
Reference: C. Watanabe, S. Koyama, K. Kamisaka, D. Takaya, T. Honma et. al., Interaction energy analysis of Apo structure dataset on FMODB, To be pubulished.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 1.20200129 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 324 |
LigandCharge | |
Software | ABINIT-MP - Open Ver.1 Rev. 15 / 20190524 |
Total energy (hartree)
FMO2-HF: Electronic energy | -4616600.141382 |
---|---|
FMO2-HF: Nuclear repulsion | 4490474.622003 |
FMO2-HF: Total energy | -126125.519379 |
FMO2-MP2: Total energy | -126494.013825 |
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(B:19:ACE )
Summations of interaction energy for
fragment #1(B:19:ACE )
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. |
-3.216 | -1.617 | 0.515 | -0.946 | -1.167 | -0.002 |
Interaction energy analysis for fragmet #1(B:19:ACE )
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 | B | 21 | GLU | -1 | -0.866 | -0.932 | 3.815 | 0.237 | 1.397 | -0.007 | -0.476 | -0.677 | -0.002 |
4 | B | 22 | ASN | 0 | -0.072 | -0.022 | 2.472 | -1.265 | -0.759 | 0.521 | -0.440 | -0.587 | 0.000 |
5 | B | 23 | ASN | 0 | 0.066 | 0.053 | 5.043 | -0.382 | -0.452 | 0.000 | -0.003 | 0.074 | 0.000 |
6 | B | 24 | VAL | 0 | -0.025 | -0.012 | 6.612 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 25 | PHE | 0 | -0.033 | -0.010 | 9.321 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 26 | VAL | 0 | 0.006 | -0.005 | 11.744 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 27 | THR | 0 | -0.014 | -0.007 | 14.223 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 28 | NME | 0 | -0.041 | -0.019 | 17.822 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 47 | ACE | 0 | -0.018 | -0.015 | 11.459 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 48 | ASN | 0 | 0.025 | 0.008 | 12.287 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 49 | CYS | 0 | -0.044 | -0.001 | 12.977 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 50 | ILE | 0 | 0.000 | -0.008 | 14.373 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 51 | VAL | 0 | 0.030 | 0.012 | 15.924 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 52 | ALA | 0 | 0.001 | -0.017 | 17.846 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 53 | ALA | 0 | 0.042 | 0.033 | 19.410 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 54 | PRO | 0 | -0.002 | 0.004 | 22.037 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 55 | THR | 0 | -0.019 | -0.013 | 24.757 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 56 | GLY | 0 | 0.056 | 0.018 | 26.771 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 57 | ILE | 0 | -0.011 | 0.002 | 28.330 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 58 | ALA | 0 | 0.006 | 0.008 | 24.144 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 59 | ALA | 0 | -0.008 | 0.004 | 23.637 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 60 | ILE | 0 | 0.001 | -0.002 | 24.461 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 61 | ASN | 0 | -0.068 | -0.038 | 25.815 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 62 | ALA | 0 | 0.013 | 0.023 | 20.223 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 63 | GLY | 0 | -0.049 | -0.013 | 21.034 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 64 | GLY | 0 | 0.007 | -0.002 | 21.434 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 65 | VAL | 0 | -0.018 | 0.000 | 22.044 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 66 | THR | 0 | 0.024 | 0.022 | 23.088 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 67 | LEU | 0 | 0.059 | 0.026 | 19.729 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 68 | HIS | 0 | -0.021 | -0.017 | 23.474 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 69 | SER | 0 | -0.038 | -0.033 | 26.876 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 70 | LEU | 0 | 0.000 | 0.012 | 19.651 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 71 | PHE | 0 | 0.063 | 0.009 | 18.413 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 72 | GLY | 0 | -0.005 | -0.002 | 24.452 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 73 | ILE | 0 | -0.067 | -0.029 | 23.990 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 74 | PRO | 0 | 0.009 | 0.001 | 28.409 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 75 | PHE | 0 | -0.004 | -0.004 | 30.775 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 76 | GLY | 0 | 0.013 | 0.005 | 32.670 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 77 | PRO | 0 | -0.068 | -0.041 | 31.151 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 78 | ILE | 0 | 0.020 | 0.024 | 28.953 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 79 | THR | 0 | -0.006 | -0.004 | 29.500 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 80 | PRO | 0 | 0.006 | -0.011 | 27.940 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 81 | TYR | 0 | 0.005 | -0.012 | 29.795 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 82 | ASP | -1 | -0.825 | -0.880 | 32.307 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 83 | ARG | 1 | 0.841 | 0.928 | 31.539 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 84 | LEU | 0 | 0.016 | 0.010 | 27.054 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 85 | GLU | -1 | -0.908 | -0.962 | 31.240 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 86 | ASN | 0 | -0.006 | -0.001 | 27.933 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 87 | LYS | 1 | 0.944 | 0.977 | 30.192 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 88 | PHE | 0 | -0.013 | 0.003 | 25.078 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 89 | SER | 0 | 0.005 | -0.001 | 29.633 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 90 | GLU | -1 | -0.868 | -0.948 | 29.048 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 91 | TYR | 0 | 0.009 | 0.000 | 26.840 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 92 | LYS | 1 | 0.866 | 0.946 | 24.299 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 93 | VAL | 0 | 0.019 | 0.007 | 24.085 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 94 | GLU | -1 | -0.829 | -0.923 | 23.090 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 95 | LEU | 0 | -0.068 | -0.027 | 20.979 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 96 | LEU | 0 | -0.071 | -0.055 | 19.511 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 97 | LEU | 0 | 0.003 | 0.016 | 18.304 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 98 | LYS | 1 | 0.888 | 0.966 | 17.758 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 99 | MET | 0 | -0.074 | -0.024 | 14.686 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 100 | GLU | -1 | -0.865 | -0.933 | 10.771 | -0.750 | -0.750 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 101 | LEU | 0 | -0.049 | -0.026 | 8.047 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 102 | LEU | 0 | -0.019 | -0.015 | 11.026 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 103 | ILE | 0 | -0.006 | -0.010 | 11.884 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 104 | ILE | 0 | -0.029 | -0.027 | 14.042 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 105 | ASP | -1 | -0.811 | -0.912 | 16.779 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 106 | GLU | -1 | -0.953 | -0.997 | 18.882 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 107 | ILE | 0 | 0.019 | -0.008 | 17.283 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 108 | SER | 0 | -0.033 | -0.018 | 19.924 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 109 | MET | 0 | -0.092 | -0.042 | 22.705 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 110 | VAL | 0 | -0.045 | -0.012 | 20.801 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 111 | ARG | 1 | 0.821 | 0.872 | 23.718 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 112 | PRO | 0 | 0.025 | 0.016 | 23.144 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 113 | ASP | -1 | -0.633 | -0.794 | 23.400 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 114 | ILE | 0 | -0.065 | -0.012 | 22.847 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 115 | LEU | 0 | 0.027 | 0.014 | 18.045 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 116 | ASP | -1 | -0.685 | -0.786 | 20.492 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 117 | THR | 0 | -0.078 | -0.052 | 22.583 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 118 | ILE | 0 | 0.005 | 0.000 | 18.645 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 119 | ASP | -1 | -0.760 | -0.872 | 18.832 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 120 | ARG | 1 | 0.828 | 0.899 | 19.841 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 121 | LYS | 1 | 0.818 | 0.916 | 22.997 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 122 | LEU | 0 | 0.016 | 0.014 | 16.525 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 123 | ARG | 1 | 0.847 | 0.930 | 19.630 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 124 | TRP | 0 | -0.057 | -0.028 | 21.129 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 125 | VAL | 0 | -0.042 | -0.023 | 21.476 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 126 | TYR | 0 | 0.016 | -0.012 | 16.449 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 127 | GLU | -1 | -1.007 | -0.975 | 20.743 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 128 | SER | 0 | 0.025 | 0.026 | 17.610 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 129 | ASP | -1 | -0.904 | -0.961 | 20.611 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 130 | GLU | -1 | -0.947 | -0.990 | 12.402 | -0.413 | -0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 131 | PRO | 0 | -0.067 | -0.054 | 14.879 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 132 | PHE | 0 | 0.009 | -0.012 | 13.711 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 133 | GLY | 0 | -0.009 | 0.001 | 15.623 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 134 | GLY | 0 | 0.022 | 0.027 | 12.868 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 135 | VAL | 0 | -0.076 | -0.019 | 11.184 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 136 | GLN | 0 | 0.020 | 0.017 | 3.794 | -0.227 | -0.224 | 0.001 | -0.027 | 0.023 | 0.000 |
101 | B | 137 | VAL | 0 | -0.006 | -0.014 | 9.069 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 138 | VAL | 0 | -0.019 | -0.018 | 8.169 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 139 | MET | 0 | -0.066 | -0.027 | 10.821 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 140 | PHE | 0 | 0.071 | 0.033 | 12.773 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 141 | GLY | 0 | 0.052 | 0.026 | 16.408 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 142 | NME | 0 | -0.030 | -0.003 | 19.742 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 156 | ACE | 0 | 0.001 | -0.008 | 37.798 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 157 | ILE | 0 | 0.006 | -0.011 | 34.711 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 158 | LEU | 0 | 0.020 | 0.008 | 29.455 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 159 | SER | 0 | 0.016 | 0.004 | 31.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 160 | ASP | -1 | -0.911 | -0.935 | 33.940 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 161 | PHE | 0 | -0.067 | -0.046 | 30.090 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 162 | TYR | 0 | -0.116 | -0.095 | 24.984 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 163 | ASP | -1 | -0.906 | -0.942 | 27.812 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 164 | GLY | 0 | -0.044 | -0.036 | 28.185 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 165 | PHE | 0 | -0.040 | -0.030 | 27.882 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 166 | PHE | 0 | 0.013 | 0.009 | 23.969 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 167 | PHE | 0 | 0.079 | 0.032 | 16.715 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 168 | PHE | 0 | 0.008 | 0.002 | 19.436 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 169 | ASN | 0 | -0.029 | -0.017 | 20.398 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 170 | ALA | 0 | 0.013 | 0.016 | 20.198 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 171 | LEU | 0 | 0.000 | -0.020 | 21.338 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 172 | VAL | 0 | 0.011 | 0.011 | 16.879 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 173 | PHE | 0 | -0.016 | -0.012 | 14.430 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 174 | LYS | 1 | 0.918 | 0.958 | 18.158 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 175 | ARG | 1 | 0.806 | 0.881 | 18.263 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 176 | THR | 0 | 0.049 | 0.022 | 12.367 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 177 | GLY | 0 | 0.029 | 0.021 | 12.501 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 178 | PHE | 0 | -0.029 | -0.016 | 10.194 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 179 | HIS | 0 | 0.005 | -0.016 | 6.826 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 180 | ILE | 0 | -0.012 | -0.009 | 10.511 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 181 | VAL | 0 | 0.002 | -0.001 | 10.624 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 182 | NME | 0 | 0.002 | 0.007 | 13.564 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 221 | ACE | 0 | 0.001 | -0.007 | 55.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 222 | ILE | 0 | 0.043 | 0.008 | 49.236 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 223 | SER | 0 | 0.030 | 0.028 | 49.164 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 224 | SER | 0 | 0.005 | 0.006 | 50.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 225 | SER | 0 | -0.060 | -0.016 | 51.497 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 226 | TYR | 0 | 0.020 | -0.014 | 48.693 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 227 | ASP | -1 | -0.879 | -0.940 | 51.205 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 228 | ASN | 0 | -0.044 | -0.034 | 48.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 229 | GLU | -1 | -0.911 | -0.962 | 46.134 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 230 | TYR | 0 | -0.007 | -0.008 | 44.456 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 231 | ILE | 0 | -0.030 | 0.010 | 39.596 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 232 | HIS | 0 | -0.011 | -0.013 | 42.728 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 233 | ILE | 0 | 0.021 | 0.016 | 37.635 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 234 | CYS | 0 | -0.034 | -0.022 | 40.895 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 235 | THR | 0 | 0.026 | 0.004 | 39.821 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 236 | HIS | 0 | 0.021 | 0.011 | 40.013 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 237 | LYS | 1 | 0.955 | 0.963 | 40.292 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 238 | ALA | 0 | 0.009 | 0.015 | 42.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 239 | ASP | -1 | -0.837 | -0.922 | 45.508 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 240 | VAL | 0 | -0.050 | -0.026 | 41.410 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 241 | GLU | -1 | -0.877 | -0.955 | 43.539 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 242 | LYS | 1 | 0.881 | 0.951 | 46.164 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 243 | ILE | 0 | -0.011 | 0.004 | 46.299 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 244 | ASN | 0 | 0.013 | -0.009 | 43.277 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 245 | ALA | 0 | 0.019 | 0.010 | 47.744 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 246 | ASP | -1 | -0.835 | -0.928 | 50.510 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 247 | LYS | 1 | 0.847 | 0.940 | 50.334 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 248 | LEU | 0 | -0.021 | 0.005 | 49.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 249 | GLY | 0 | 0.020 | 0.028 | 52.099 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 250 | GLU | -1 | -0.924 | -0.978 | 54.883 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 251 | GLN | 0 | -0.058 | -0.032 | 57.349 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 252 | GLU | -1 | -0.964 | -0.986 | 57.131 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 253 | ILE | 0 | -0.033 | -0.003 | 52.326 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 254 | ARG | 1 | 0.863 | 0.915 | 51.534 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 255 | ASN | 0 | -0.018 | -0.049 | 49.529 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 256 | TYR | 0 | -0.065 | -0.044 | 46.035 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 257 | ASP | -1 | -0.823 | -0.886 | 45.870 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 258 | ILE | 0 | -0.038 | -0.008 | 38.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 259 | VAL | 0 | -0.029 | -0.014 | 41.625 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 260 | ILE | 0 | 0.013 | -0.007 | 38.156 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 261 | LYS | 1 | 0.903 | 0.954 | 38.355 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 262 | ASP | -1 | -0.867 | -0.925 | 37.097 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 263 | LYS | 1 | 0.937 | 0.964 | 34.287 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 264 | PHE | 0 | 0.024 | 0.010 | 32.253 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 265 | PRO | 0 | -0.026 | -0.001 | 32.627 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 266 | GLU | -1 | -0.805 | -0.905 | 35.210 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 267 | SER | 0 | -0.066 | -0.037 | 34.039 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 268 | SER | 0 | -0.027 | -0.036 | 31.187 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 269 | ILE | 0 | -0.006 | 0.012 | 32.180 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 270 | PRO | 0 | -0.007 | -0.003 | 31.608 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 271 | CYS | 0 | -0.048 | -0.009 | 33.744 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 272 | ASP | -1 | -0.830 | -0.899 | 37.134 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 273 | LEU | 0 | 0.034 | 0.010 | 40.376 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 274 | HIS | 0 | -0.042 | -0.032 | 42.719 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 275 | LEU | 0 | -0.001 | 0.028 | 42.548 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 276 | LYS | 1 | 0.938 | 0.967 | 45.417 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 277 | LEU | 0 | 0.003 | -0.001 | 45.308 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 278 | ARG | 1 | 0.899 | 0.937 | 49.490 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 279 | VAL | 0 | 0.039 | 0.014 | 51.087 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 280 | GLY | 0 | -0.010 | -0.015 | 51.665 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 281 | ALA | 0 | -0.055 | -0.022 | 48.395 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 282 | ARG | 1 | 0.823 | 0.883 | 43.603 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 283 | VAL | 0 | -0.008 | -0.001 | 42.645 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 284 | MET | 0 | -0.010 | 0.012 | 35.511 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 285 | SER | 0 | -0.014 | -0.020 | 35.484 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 286 | LEU | 0 | -0.018 | -0.006 | 34.124 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 287 | VAL | 0 | -0.016 | -0.003 | 31.044 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 288 | ASN | 0 | -0.006 | -0.017 | 27.013 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 289 | ASP | -1 | -0.820 | -0.900 | 30.565 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 290 | SER | 0 | -0.007 | -0.013 | 29.970 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 291 | LEU | 0 | -0.013 | 0.004 | 32.076 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 292 | LYS | 1 | 0.861 | 0.934 | 34.824 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 293 | GLY | 0 | -0.038 | -0.005 | 35.449 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 294 | TYR | 0 | -0.031 | -0.027 | 34.901 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 295 | TYR | 0 | 0.032 | 0.015 | 31.060 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 296 | ASN | 0 | 0.031 | 0.021 | 29.012 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 297 | GLY | 0 | 0.068 | 0.011 | 31.887 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 298 | MET | 0 | -0.106 | -0.018 | 34.497 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 299 | LEU | 0 | 0.027 | 0.019 | 36.878 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 300 | GLY | 0 | 0.050 | 0.018 | 40.493 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 301 | ILE | 0 | -0.055 | -0.010 | 43.711 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 302 | VAL | 0 | -0.001 | 0.011 | 46.707 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 303 | THR | 0 | -0.025 | -0.025 | 48.471 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 304 | ALA | 0 | -0.001 | -0.004 | 50.218 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 305 | LEU | 0 | -0.012 | 0.007 | 49.016 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 306 | GLU | -1 | -0.936 | -0.960 | 50.193 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 307 | ASP | -1 | -0.828 | -0.888 | 50.266 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 308 | ASN | 0 | 0.006 | -0.003 | 46.698 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 309 | VAL | 0 | 0.034 | 0.024 | 45.743 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 310 | ILE | 0 | 0.019 | 0.031 | 44.409 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 311 | THR | 0 | -0.023 | -0.015 | 45.262 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 312 | VAL | 0 | 0.047 | 0.024 | 43.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 313 | ARG | 1 | 0.945 | 0.994 | 45.018 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 314 | MET | 0 | 0.031 | -0.002 | 39.423 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 315 | ASP | -1 | -0.725 | -0.833 | 41.583 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 316 | ASN | 0 | -0.035 | -0.010 | 39.226 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 317 | GLY | 0 | -0.035 | -0.029 | 42.475 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 318 | ARG | 1 | 0.922 | 0.963 | 38.770 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 319 | THR | 0 | -0.007 | -0.004 | 44.183 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 320 | ILE | 0 | -0.001 | 0.006 | 39.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 321 | LYS | 1 | 0.943 | 0.971 | 43.236 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 322 | PHE | 0 | 0.002 | -0.010 | 37.970 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 323 | GLU | -1 | -0.887 | -0.958 | 40.695 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 324 | ARG | 1 | 0.842 | 0.897 | 40.086 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 325 | TYR | 0 | 0.028 | 0.017 | 30.061 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 326 | THR | 0 | -0.014 | -0.049 | 34.241 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 327 | TRP | 0 | 0.006 | -0.002 | 30.332 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 328 | SER | 0 | -0.022 | -0.044 | 29.144 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 329 | ASN | 0 | -0.009 | -0.022 | 29.161 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 330 | THR | 0 | -0.013 | -0.003 | 25.459 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 331 | GLN | 0 | -0.062 | -0.052 | 25.801 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 332 | TYR | 0 | 0.025 | 0.017 | 19.234 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 333 | THR | 0 | 0.042 | 0.025 | 23.926 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 334 | LEU | 0 | 0.042 | 0.037 | 21.296 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 335 | LYS | 1 | 0.811 | 0.881 | 23.201 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 336 | ASP | -1 | -0.806 | -0.880 | 23.267 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 337 | ASN | 0 | -0.061 | -0.055 | 21.333 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 338 | GLU | -1 | -0.852 | -0.906 | 18.757 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 339 | ILE | 0 | -0.001 | -0.026 | 17.214 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 340 | VAL | 0 | -0.063 | -0.005 | 20.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 341 | LYS | 1 | 0.906 | 0.953 | 21.863 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 342 | GLU | -1 | -0.862 | -0.912 | 24.343 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 343 | GLU | -1 | -0.901 | -0.937 | 28.130 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 344 | ILE | 0 | -0.052 | -0.024 | 30.292 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 345 | GLY | 0 | 0.053 | 0.014 | 32.551 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 346 | SER | 0 | -0.011 | 0.002 | 33.006 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 347 | CYS | 0 | -0.041 | 0.005 | 34.988 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 348 | THR | 0 | -0.020 | 0.013 | 36.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 349 | GLN | 0 | 0.015 | -0.008 | 38.686 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 350 | PHE | 0 | -0.011 | 0.012 | 38.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 351 | PRO | 0 | -0.005 | 0.014 | 35.816 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 352 | LEU | 0 | -0.025 | -0.025 | 37.562 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 353 | THR | 0 | -0.017 | -0.028 | 38.616 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 354 | LEU | 0 | -0.009 | 0.001 | 41.141 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 355 | ALA | 0 | -0.015 | -0.014 | 41.010 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 356 | TRP | 0 | 0.014 | -0.002 | 42.686 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 357 | ALA | 0 | -0.008 | 0.000 | 43.344 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 358 | ILE | 0 | 0.015 | 0.006 | 35.923 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 359 | THR | 0 | 0.026 | 0.022 | 37.308 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 360 | ILE | 0 | 0.062 | 0.042 | 34.069 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 361 | HIS | 0 | 0.002 | 0.010 | 30.420 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 362 | LYS | 1 | 0.980 | 0.979 | 32.241 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 363 | SER | 0 | 0.001 | -0.006 | 33.072 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 364 | GLN | 0 | -0.001 | -0.016 | 26.291 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 365 | GLY | 0 | -0.005 | 0.006 | 27.356 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 366 | LEU | 0 | -0.035 | -0.004 | 28.115 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 367 | THR | 0 | -0.017 | -0.013 | 30.732 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 368 | PHE | 0 | -0.004 | -0.016 | 33.387 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 369 | ASP | -1 | -0.843 | -0.904 | 37.056 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 370 | LYS | 1 | 0.918 | 0.958 | 39.592 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 371 | ILE | 0 | -0.010 | 0.000 | 38.381 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 372 | ILE | 0 | 0.000 | 0.010 | 41.987 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 373 | ILE | 0 | -0.062 | -0.044 | 39.611 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 374 | HIS | 1 | 0.883 | 0.938 | 43.089 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 375 | NME | 0 | -0.003 | 0.011 | 41.912 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 384 | ACE | 0 | 0.023 | 0.000 | 37.759 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 385 | TYR | 0 | 0.025 | 0.003 | 28.677 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 386 | VAL | 0 | 0.051 | 0.030 | 31.278 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 387 | ALA | 0 | 0.015 | 0.026 | 33.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 388 | LEU | 0 | 0.024 | 0.008 | 36.442 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 389 | SER | 0 | -0.057 | -0.042 | 31.330 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 390 | ARG | 1 | 0.873 | 0.930 | 30.576 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 391 | CYS | 0 | -0.049 | 0.009 | 34.648 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 392 | ARG | 1 | 0.874 | 0.903 | 33.937 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 393 | THR | 0 | -0.012 | -0.009 | 35.486 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 394 | LEU | 0 | 0.054 | 0.017 | 38.093 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 395 | GLU | -1 | -0.917 | -0.971 | 40.348 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 396 | GLY | 0 | -0.008 | 0.012 | 41.621 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 397 | ILE | 0 | -0.040 | -0.026 | 38.448 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 398 | VAL | 0 | 0.019 | 0.014 | 42.681 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 399 | SER | 0 | -0.045 | -0.014 | 44.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 400 | ASP | -1 | -0.864 | -0.953 | 46.396 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 401 | NME | 0 | -0.020 | 0.015 | 48.328 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 416 | ACE | 0 | 0.000 | -0.011 | 27.233 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 417 | PHE | 0 | 0.027 | 0.007 | 17.903 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 418 | GLU | -1 | -0.771 | -0.895 | 21.556 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 419 | ARG | 1 | 0.815 | 0.895 | 22.225 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 420 | ALA | 0 | 0.051 | 0.052 | 21.731 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 421 | TYR | 0 | 0.120 | 0.097 | 16.896 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 422 | LYS | 1 | 0.824 | 0.925 | 18.124 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 423 | SER | 0 | -0.078 | -0.041 | 19.896 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 424 | GLU | -1 | -0.953 | -0.973 | 18.317 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 425 | GLY | 0 | 0.000 | -0.018 | 15.913 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 426 | ASN | 0 | -0.074 | -0.057 | 14.316 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 427 | TYR | 0 | -0.018 | -0.030 | 10.159 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 428 | TYR | 0 | 0.011 | -0.005 | 14.185 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 429 | GLY | 0 | 0.064 | 0.040 | 14.842 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 430 | LYS | 1 | 0.918 | 0.982 | 16.261 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 431 | ARG | 1 | 0.908 | 0.976 | 13.273 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 432 | LEU | 0 | 0.007 | 0.004 | 9.585 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 433 | NME | 0 | 0.012 | 0.024 | 12.103 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |