![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: K91Q3
Calculation Name: 4Z9P-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4Z9P
Chain ID: A
UniProt ID: P18272
Base Structure: X-ray
Registration Date: 2023-09-20
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | 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 | 307 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4334105.054992 |
---|---|
FMO2-HF: Nuclear repulsion | 4214715.930355 |
FMO2-HF: Total energy | -119389.124637 |
FMO2-MP2: Total energy | -119738.745101 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F031568/ligand_interaction/ligand_F031568.png)
Ligand Interaction
![ligand interaction](./Kdata/F031568/ligand_interaction/ligand_interaction_F031568.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:35:ALA)
Summations of interaction energy for
fragment #1(A:35:ALA)
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. |
-3.265 | -1.572 | -0.005 | -0.653 | -1.036 | 0.002 |
Interaction energy analysis for fragmet #1(A:35:ALA)
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 | 37 | ARG | 1 | 0.933 | 0.972 | 3.837 | -3.653 | -2.363 | -0.002 | -0.590 | -0.698 | 0.002 |
4 | A | 38 | GLN | 0 | 0.006 | -0.002 | 4.385 | -0.215 | 0.050 | -0.001 | -0.040 | -0.224 | 0.000 |
5 | A | 39 | ARG | 1 | 0.928 | 0.966 | 6.167 | 0.409 | 0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 40 | VAL | 0 | 0.004 | 0.002 | 8.139 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 41 | ILE | 0 | -0.005 | 0.002 | 11.536 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 42 | PRO | 0 | 0.002 | 0.000 | 14.416 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 43 | VAL | 0 | 0.025 | 0.021 | 18.050 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 44 | TYR | 0 | -0.002 | -0.014 | 20.667 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 45 | GLN | 0 | -0.004 | 0.007 | 24.102 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 46 | VAL | 0 | 0.034 | 0.013 | 26.780 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 47 | ASN | 0 | -0.016 | -0.015 | 30.069 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 48 | ASN | 0 | -0.017 | -0.044 | 32.392 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 49 | LEU | 0 | 0.008 | 0.014 | 27.226 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 50 | GLU | -1 | -0.848 | -0.904 | 31.016 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 51 | GLU | -1 | -0.655 | -0.787 | 33.329 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 52 | ILE | 0 | -0.004 | -0.010 | 28.698 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 53 | CYS | 0 | -0.070 | -0.044 | 28.967 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 54 | GLN | 0 | -0.012 | -0.011 | 30.289 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 55 | LEU | 0 | 0.034 | 0.033 | 31.446 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 56 | ILE | 0 | -0.069 | -0.035 | 25.687 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 57 | ILE | 0 | -0.041 | -0.014 | 28.746 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 58 | GLN | 0 | 0.032 | 0.010 | 30.601 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 59 | ALA | 0 | 0.015 | 0.005 | 28.931 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 60 | PHE | 0 | -0.045 | -0.048 | 22.577 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 61 | GLU | -1 | -0.868 | -0.919 | 28.318 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 62 | ALA | 0 | -0.032 | -0.012 | 31.708 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 63 | GLY | 0 | -0.045 | -0.019 | 28.893 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 64 | VAL | 0 | -0.057 | -0.032 | 26.714 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 65 | ASP | -1 | -0.847 | -0.897 | 22.318 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 66 | PHE | 0 | 0.028 | -0.006 | 22.126 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 67 | GLN | 0 | -0.071 | -0.063 | 19.399 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 68 | GLU | -1 | -0.893 | -0.923 | 15.730 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 69 | SER | 0 | -0.032 | -0.013 | 16.703 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 70 | ALA | 0 | -0.001 | 0.002 | 18.439 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 71 | ASP | -1 | -0.852 | -0.923 | 14.018 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 72 | SER | 0 | -0.011 | -0.027 | 17.198 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 73 | PHE | 0 | 0.034 | 0.014 | 19.288 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 74 | LEU | 0 | 0.010 | 0.011 | 19.376 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 75 | LEU | 0 | -0.022 | 0.000 | 17.176 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 76 | MET | 0 | -0.016 | -0.002 | 20.537 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 77 | LEU | 0 | 0.051 | 0.034 | 24.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 78 | CYS | 0 | -0.072 | -0.044 | 21.630 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 79 | LEU | 0 | -0.036 | -0.017 | 23.227 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 80 | HIS | 0 | 0.062 | 0.005 | 24.595 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 81 | HIS | 0 | -0.051 | -0.018 | 27.041 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 82 | ALA | 0 | -0.015 | -0.003 | 24.528 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 83 | TYR | 0 | -0.039 | -0.040 | 20.834 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 84 | GLN | 0 | -0.047 | -0.015 | 27.080 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 85 | GLY | 0 | 0.039 | 0.027 | 28.464 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 86 | ASP | -1 | -0.866 | -0.923 | 28.001 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 87 | TYR | 0 | 0.030 | -0.023 | 24.117 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 88 | LYS | 1 | 0.828 | 0.903 | 23.643 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 89 | LEU | 0 | 0.023 | 0.006 | 23.915 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 90 | PHE | 0 | 0.015 | 0.003 | 17.973 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 91 | LEU | 0 | -0.047 | -0.009 | 18.892 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 92 | GLU | -1 | -0.849 | -0.907 | 19.132 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 93 | SER | 0 | 0.013 | 0.018 | 19.930 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 94 | GLY | 0 | 0.014 | -0.009 | 18.249 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 95 | ALA | 0 | 0.005 | 0.011 | 16.411 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 96 | VAL | 0 | 0.019 | 0.019 | 14.780 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 97 | LYS | 1 | 0.932 | 0.961 | 13.510 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 98 | TYR | 0 | -0.013 | 0.004 | 11.003 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 99 | LEU | 0 | 0.000 | 0.006 | 9.968 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 100 | GLU | -1 | -0.902 | -0.962 | 8.708 | -0.509 | -0.509 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 101 | GLY | 0 | -0.024 | 0.000 | 8.774 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 102 | HIS | 1 | 0.739 | 0.848 | 5.943 | 0.705 | 0.705 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 103 | GLY | 0 | 0.042 | 0.036 | 4.344 | -0.221 | -0.131 | -0.001 | -0.021 | -0.069 | 0.000 |
70 | A | 104 | PHE | 0 | -0.020 | -0.007 | 4.908 | 0.287 | 0.335 | -0.001 | -0.002 | -0.045 | 0.000 |
71 | A | 105 | ARG | 1 | 0.873 | 0.913 | 8.589 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 106 | PHE | 0 | 0.027 | 0.024 | 11.594 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 107 | GLU | -1 | -0.823 | -0.886 | 15.139 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 108 | VAL | 0 | 0.032 | 0.021 | 17.757 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 109 | LYS | 1 | 0.842 | 0.909 | 18.598 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 110 | LYS | 1 | 0.848 | 0.905 | 23.634 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 111 | ARG | 1 | 0.830 | 0.900 | 25.041 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 112 | ASP | -1 | -0.763 | -0.865 | 29.341 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 113 | GLY | 0 | -0.030 | -0.015 | 32.993 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 114 | VAL | 0 | -0.061 | -0.020 | 29.850 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 115 | LYS | 1 | 0.825 | 0.888 | 33.158 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 116 | ARG | 1 | 0.817 | 0.898 | 33.070 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 117 | LEU | 0 | 0.019 | 0.012 | 27.483 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 118 | GLU | -1 | -0.824 | -0.924 | 28.028 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 119 | GLU | -1 | -0.808 | -0.888 | 29.341 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 120 | LEU | 0 | -0.019 | -0.001 | 25.490 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 121 | LEU | 0 | -0.020 | 0.003 | 23.702 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 122 | PRO | 0 | -0.035 | 0.002 | 20.131 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 123 | ALA | 0 | -0.012 | -0.024 | 23.169 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 124 | VAL | 0 | -0.024 | -0.005 | 19.628 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 125 | SER | 0 | 0.030 | -0.002 | 21.546 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 126 | SER | 0 | -0.044 | -0.034 | 20.079 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 127 | GLY | 0 | 0.091 | 0.031 | 22.424 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 128 | LYS | 1 | 0.885 | 0.956 | 25.347 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 129 | ASN | 0 | 0.053 | 0.012 | 28.694 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 130 | ILE | 0 | 0.046 | 0.058 | 23.595 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 131 | LYS | 1 | 0.979 | 0.984 | 27.474 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 132 | ARG | 1 | 0.905 | 0.951 | 30.274 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 133 | THR | 0 | -0.018 | -0.026 | 30.575 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 134 | LEU | 0 | 0.003 | -0.001 | 27.621 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 135 | ALA | 0 | -0.006 | 0.002 | 32.183 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 136 | ALA | 0 | -0.075 | -0.031 | 35.332 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 137 | MET | 0 | -0.052 | -0.012 | 32.607 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 138 | PRO | 0 | -0.017 | 0.004 | 36.413 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 139 | GLU | -1 | -0.869 | -0.933 | 38.302 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 140 | GLU | -1 | -0.924 | -0.948 | 37.466 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 141 | GLU | -1 | -0.878 | -0.950 | 37.586 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 142 | THR | 0 | -0.095 | -0.057 | 37.044 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 143 | THR | 0 | -0.036 | -0.038 | 36.769 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 144 | GLU | -1 | -0.903 | -0.940 | 38.122 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 145 | ALA | 0 | -0.016 | 0.001 | 35.106 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 146 | ASN | 0 | 0.056 | 0.033 | 33.684 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 147 | ALA | 0 | 0.057 | 0.019 | 28.695 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 148 | GLY | 0 | 0.063 | 0.031 | 29.250 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 149 | GLN | 0 | -0.010 | -0.013 | 30.485 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 150 | PHE | 0 | 0.022 | 0.011 | 25.612 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 151 | LEU | 0 | -0.034 | -0.020 | 24.133 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 152 | SER | 0 | 0.006 | -0.013 | 27.044 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 153 | PHE | 0 | 0.020 | 0.013 | 29.616 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 154 | ALA | 0 | 0.019 | -0.007 | 25.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 155 | SER | 0 | -0.009 | -0.021 | 25.271 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 156 | LEU | 0 | -0.025 | 0.002 | 26.324 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 157 | PHE | 0 | 0.002 | -0.007 | 25.860 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 158 | LEU | 0 | -0.007 | -0.005 | 21.172 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 159 | PRO | 0 | -0.014 | -0.020 | 24.323 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 160 | LYS | 1 | 0.860 | 0.938 | 26.733 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 161 | LEU | 0 | -0.007 | 0.025 | 20.696 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 162 | VAL | 0 | -0.040 | -0.034 | 19.792 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 163 | VAL | 0 | -0.033 | -0.009 | 22.789 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 164 | GLY | 0 | 0.028 | 0.022 | 26.005 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 165 | GLU | -1 | -0.740 | -0.842 | 27.244 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 166 | LYS | 1 | 0.996 | 0.991 | 29.251 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 167 | ALA | 0 | -0.018 | -0.006 | 29.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 168 | CYS | 0 | 0.003 | 0.005 | 27.993 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 169 | LEU | 0 | 0.018 | 0.005 | 30.019 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 170 | GLU | -1 | -0.793 | -0.863 | 32.709 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 171 | LYS | 1 | 0.822 | 0.898 | 30.766 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 172 | VAL | 0 | 0.034 | 0.017 | 30.585 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 173 | GLN | 0 | 0.023 | 0.004 | 33.216 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 174 | ARG | 1 | 0.858 | 0.910 | 36.222 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 175 | GLN | 0 | 0.013 | 0.022 | 32.667 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 176 | ILE | 0 | 0.025 | 0.011 | 34.828 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 177 | GLN | 0 | -0.037 | -0.022 | 37.397 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 178 | VAL | 0 | -0.012 | -0.011 | 38.094 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 179 | HIS | 0 | 0.012 | -0.015 | 33.146 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 180 | ALA | 0 | 0.020 | 0.018 | 38.778 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 181 | GLU | -1 | -0.898 | -0.934 | 41.852 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 182 | GLN | 0 | -0.115 | -0.053 | 40.240 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 183 | GLY | 0 | 0.000 | 0.010 | 42.693 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 184 | LEU | 0 | -0.074 | -0.020 | 35.529 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 185 | ILE | 0 | -0.039 | -0.034 | 34.552 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 186 | GLN | 0 | 0.004 | 0.013 | 38.676 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 187 | TYR | 0 | -0.007 | -0.029 | 32.777 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 188 | PRO | 0 | 0.072 | 0.041 | 36.743 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 189 | THR | 0 | 0.013 | 0.003 | 39.414 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 190 | ALA | 0 | 0.066 | 0.044 | 38.366 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 191 | TRP | 0 | -0.029 | -0.043 | 32.745 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 192 | GLN | 0 | -0.033 | -0.029 | 35.704 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 193 | SER | 0 | -0.028 | -0.007 | 37.649 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 194 | VAL | 0 | 0.032 | -0.009 | 35.911 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 195 | GLY | 0 | 0.014 | 0.008 | 34.598 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 196 | HIS | 0 | 0.080 | 0.065 | 32.403 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 197 | MET | 0 | -0.036 | -0.009 | 31.510 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 198 | MET | 0 | -0.038 | -0.020 | 30.257 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 199 | VAL | 0 | 0.012 | 0.024 | 28.471 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 200 | ILE | 0 | 0.040 | 0.023 | 26.928 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 201 | PHE | 0 | -0.009 | -0.007 | 25.439 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 202 | ARG | 1 | 0.793 | 0.850 | 24.407 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 203 | LEU | 0 | 0.028 | 0.042 | 21.764 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 204 | MET | 0 | 0.026 | 0.020 | 21.017 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 205 | ARG | 1 | 0.880 | 0.943 | 18.331 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 206 | THR | 0 | -0.069 | -0.037 | 18.070 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 207 | ASN | 0 | 0.020 | -0.003 | 16.185 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 208 | PHE | 0 | -0.014 | 0.002 | 10.830 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 209 | LEU | 0 | 0.038 | 0.021 | 13.794 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 210 | ILE | 0 | 0.050 | 0.024 | 15.361 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 211 | LYS | 1 | 0.822 | 0.898 | 16.295 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 212 | PHE | 0 | -0.007 | -0.004 | 13.529 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 213 | LEU | 0 | 0.025 | 0.005 | 16.221 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 214 | LEU | 0 | 0.025 | 0.021 | 18.822 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 215 | ILE | 0 | -0.023 | -0.024 | 18.011 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 216 | HIS | 0 | 0.012 | 0.004 | 18.015 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 217 | GLN | 0 | 0.018 | -0.011 | 19.993 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 218 | GLY | 0 | -0.019 | -0.015 | 23.451 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 219 | MET | 0 | -0.097 | -0.047 | 19.669 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 220 | HIS | 1 | 0.722 | 0.832 | 20.242 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 221 | MET | 0 | 0.038 | 0.066 | 24.956 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 222 | VAL | 0 | 0.027 | 0.024 | 27.976 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 223 | ALA | 0 | -0.005 | -0.016 | 30.352 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 224 | GLY | 0 | -0.001 | -0.006 | 33.780 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 225 | HIS | 0 | -0.052 | -0.011 | 31.848 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 226 | ASP | -1 | -0.714 | -0.855 | 32.804 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 227 | ALA | 0 | 0.057 | 0.031 | 34.126 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 228 | ASN | 0 | -0.003 | -0.014 | 31.205 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 229 | ASP | -1 | -0.757 | -0.876 | 28.558 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 230 | ALA | 0 | 0.001 | 0.009 | 29.907 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 231 | VAL | 0 | 0.000 | 0.009 | 30.831 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 232 | ILE | 0 | 0.001 | 0.017 | 25.340 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 233 | SER | 0 | 0.019 | -0.011 | 27.073 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 234 | ASN | 0 | -0.037 | -0.008 | 28.197 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 235 | SER | 0 | -0.015 | -0.027 | 27.251 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 236 | VAL | 0 | -0.026 | -0.012 | 22.762 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 237 | ALA | 0 | -0.016 | -0.016 | 25.147 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 238 | GLN | 0 | -0.018 | 0.000 | 27.643 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 239 | ALA | 0 | -0.032 | -0.004 | 23.583 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 240 | ARG | 1 | 0.926 | 0.990 | 22.921 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 241 | PHE | 0 | 0.012 | -0.016 | 21.709 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 242 | SER | 0 | -0.029 | -0.009 | 23.419 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 243 | GLY | 0 | -0.010 | -0.024 | 21.840 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 244 | LEU | 0 | -0.044 | -0.019 | 18.314 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 245 | LEU | 0 | 0.043 | 0.020 | 22.456 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 246 | ILE | 0 | 0.008 | 0.027 | 23.476 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 247 | VAL | 0 | 0.006 | -0.001 | 20.964 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 248 | LYS | 1 | 0.904 | 0.961 | 24.373 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 249 | THR | 0 | 0.049 | 0.006 | 27.206 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 250 | VAL | 0 | -0.002 | 0.001 | 27.242 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 251 | LEU | 0 | -0.054 | -0.044 | 24.431 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 252 | ASP | -1 | -0.908 | -0.944 | 28.985 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 253 | HIS | 0 | -0.009 | -0.012 | 31.952 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 254 | ILE | 0 | -0.061 | -0.026 | 31.587 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 255 | LEU | 0 | -0.035 | -0.009 | 29.319 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 256 | GLN | 0 | 0.031 | 0.003 | 32.560 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 257 | LYS | 1 | 0.890 | 0.951 | 35.724 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 258 | THR | 0 | -0.029 | -0.017 | 38.473 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 259 | GLU | -1 | -0.757 | -0.832 | 41.692 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 260 | ARG | 1 | 0.835 | 0.889 | 40.281 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 261 | GLY | 0 | 0.043 | 0.013 | 37.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 262 | VAL | 0 | -0.019 | 0.003 | 32.014 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 263 | ARG | 1 | 0.824 | 0.885 | 34.873 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 264 | LEU | 0 | 0.015 | 0.019 | 30.577 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 265 | HIS | 0 | 0.093 | 0.055 | 34.502 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 266 | PRO | 0 | -0.004 | -0.017 | 36.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 267 | LEU | 0 | 0.035 | 0.020 | 38.099 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 268 | ALA | 0 | 0.006 | 0.002 | 33.019 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 269 | ARG | 1 | 0.871 | 0.928 | 33.876 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 270 | THR | 0 | -0.029 | 0.002 | 36.268 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 271 | ALA | 0 | 0.044 | 0.001 | 35.456 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 272 | LYS | 1 | 0.911 | 0.967 | 34.559 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 273 | VAL | 0 | 0.072 | 0.059 | 31.811 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 274 | LYS | 1 | 0.958 | 0.977 | 30.944 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 275 | ASN | 0 | 0.019 | 0.005 | 28.673 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 276 | GLU | -1 | -0.725 | -0.839 | 26.910 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 277 | VAL | 0 | 0.029 | 0.017 | 26.248 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 278 | ASN | 0 | -0.016 | -0.015 | 25.611 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 279 | SER | 0 | -0.003 | -0.003 | 22.585 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 280 | PHE | 0 | 0.040 | 0.022 | 21.491 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 281 | LYS | 1 | 0.909 | 0.954 | 21.885 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 282 | ALA | 0 | -0.016 | -0.006 | 19.179 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 283 | ALA | 0 | 0.015 | 0.003 | 17.346 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 284 | LEU | 0 | 0.026 | 0.010 | 17.212 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 285 | SER | 0 | -0.002 | 0.004 | 17.983 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 286 | SER | 0 | -0.044 | -0.028 | 12.556 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 287 | LEU | 0 | -0.028 | -0.003 | 13.697 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 288 | ALA | 0 | 0.032 | -0.002 | 15.735 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 289 | LYS | 1 | 0.834 | 0.922 | 12.075 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 290 | HIS | 0 | -0.015 | 0.000 | 9.334 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 291 | GLY | 0 | 0.018 | 0.013 | 13.594 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 292 | GLU | -1 | -0.807 | -0.900 | 16.926 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 293 | TYR | 0 | 0.027 | 0.008 | 14.475 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 294 | ALA | 0 | -0.012 | 0.009 | 16.228 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 295 | PRO | 0 | -0.041 | -0.028 | 17.117 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 296 | PHE | 0 | 0.050 | 0.016 | 17.622 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 297 | ALA | 0 | 0.023 | 0.019 | 14.351 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 298 | ARG | 1 | 0.873 | 0.937 | 14.620 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 299 | LEU | 0 | 0.023 | 0.011 | 16.995 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 300 | LEU | 0 | -0.001 | 0.000 | 13.123 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 301 | ASN | 0 | -0.051 | -0.022 | 12.194 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 302 | LEU | 0 | 0.030 | 0.032 | 9.807 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 303 | SER | 0 | 0.035 | 0.003 | 6.752 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 304 | GLY | 0 | 0.020 | 0.013 | 8.866 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 305 | VAL | 0 | 0.018 | 0.012 | 11.976 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 306 | ASN | 0 | 0.006 | -0.009 | 14.117 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 307 | ASN | 0 | -0.055 | -0.019 | 14.266 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 308 | LEU | 0 | -0.019 | -0.022 | 17.536 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 309 | GLU | -1 | -0.877 | -0.933 | 19.942 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 310 | HIS | 0 | 0.034 | 0.023 | 21.599 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 311 | GLY | 0 | 0.019 | 0.009 | 25.245 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 312 | LEU | 0 | -0.060 | -0.026 | 20.607 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 313 | PHE | 0 | -0.080 | -0.032 | 22.007 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 314 | PRO | 0 | 0.056 | 0.037 | 27.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 315 | GLN | 0 | -0.044 | -0.056 | 31.172 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 316 | LEU | 0 | -0.027 | -0.026 | 27.745 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 317 | SER | 0 | -0.008 | -0.016 | 29.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 318 | ALA | 0 | 0.016 | 0.010 | 31.629 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 319 | ILE | 0 | -0.035 | -0.026 | 34.556 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 320 | ALA | 0 | 0.001 | -0.001 | 32.409 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 321 | LEU | 0 | 0.006 | 0.007 | 34.461 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 322 | GLY | 0 | 0.000 | 0.009 | 36.382 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 323 | VAL | 0 | -0.080 | -0.032 | 37.085 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 324 | ALA | 0 | -0.044 | -0.017 | 35.945 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 325 | THR | 0 | -0.055 | -0.026 | 38.095 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 335 | ASN | 0 | 0.023 | -0.013 | 21.153 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 336 | VAL | 0 | 0.024 | 0.002 | 19.312 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 337 | GLY | 0 | 0.009 | 0.001 | 20.919 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 338 | GLU | -1 | -0.851 | -0.902 | 21.440 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 339 | GLN | 0 | 0.043 | 0.013 | 24.803 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 340 | TYR | 0 | -0.013 | -0.004 | 21.398 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 341 | GLN | 0 | 0.006 | 0.003 | 22.456 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 342 | GLN | 0 | 0.039 | 0.020 | 25.970 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 343 | LEU | 0 | 0.032 | 0.021 | 24.368 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 344 | ARG | 1 | 0.883 | 0.934 | 24.937 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 345 | GLU | -1 | -0.898 | -0.930 | 27.366 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 346 | ALA | 0 | 0.025 | 0.009 | 30.936 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 347 | ALA | 0 | -0.039 | -0.038 | 28.763 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 348 | THR | 0 | -0.113 | -0.068 | 29.729 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 349 | GLU | -1 | -0.854 | -0.907 | 31.845 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 350 | ALA | 0 | -0.022 | 0.003 | 33.801 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |