![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: R9ZK8
Calculation Name: 5BQ3-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5BQ3
Chain ID: A
UniProt ID: A7BAM4
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 | OptHSide |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 312 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4139537.731392 |
---|---|
FMO2-HF: Nuclear repulsion | 4023886.440642 |
FMO2-HF: Total energy | -115651.29075 |
FMO2-MP2: Total energy | -115989.97546 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F030390/ligand_interaction/ligand_F030390.png)
Ligand Interaction
![ligand interaction](./Kdata/F030390/ligand_interaction/ligand_interaction_F030390.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:40:SER)
Summations of interaction energy for
fragment #1(A:40:SER)
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. |
-8.361 | -0.327 | 5.04 | -5.728 | -7.344 | -0.033 |
Interaction energy analysis for fragmet #1(A:40:SER)
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 | 42 | SER | 0 | -0.046 | -0.017 | 3.834 | -0.860 | 1.287 | -0.015 | -1.023 | -1.109 | 0.000 |
4 | A | 43 | TYR | 0 | 0.027 | 0.013 | 4.987 | -0.545 | -0.490 | -0.001 | -0.006 | -0.048 | 0.000 |
5 | A | 44 | ASP | -1 | -0.939 | -0.973 | 8.684 | 0.484 | 0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 45 | VAL | 0 | -0.013 | -0.005 | 11.504 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 46 | SER | 0 | 0.009 | 0.007 | 14.070 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 47 | SER | 0 | -0.037 | -0.019 | 16.484 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 48 | GLN | 0 | -0.060 | -0.026 | 15.625 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 49 | SER | 0 | 0.048 | 0.019 | 18.536 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 50 | ILE | 0 | -0.031 | -0.015 | 15.720 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 51 | THR | 0 | -0.024 | -0.040 | 19.526 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 52 | PHE | 0 | -0.042 | -0.014 | 17.316 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 53 | ILE | 0 | 0.000 | -0.008 | 22.437 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 54 | PRO | 0 | -0.009 | -0.002 | 25.089 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 55 | LYS | 1 | 0.861 | 0.914 | 26.535 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 56 | GLN | 0 | 0.013 | 0.001 | 29.296 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 57 | LEU | 0 | -0.039 | -0.009 | 29.781 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 58 | ASN | 0 | -0.047 | -0.022 | 31.493 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 59 | ASN | 0 | 0.041 | 0.034 | 30.652 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 60 | PRO | 0 | 0.058 | 0.014 | 30.217 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 61 | PHE | 0 | 0.031 | 0.012 | 25.605 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 62 | SER | 0 | 0.036 | 0.005 | 26.301 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 63 | ASP | -1 | -0.858 | -0.945 | 25.509 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 64 | VAL | 0 | -0.036 | -0.006 | 23.838 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 65 | MET | 0 | -0.029 | 0.001 | 20.689 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 66 | LEU | 0 | -0.010 | -0.016 | 20.816 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 67 | GLY | 0 | -0.046 | -0.027 | 21.694 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 68 | GLY | 0 | 0.012 | 0.006 | 19.359 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 69 | GLY | 0 | 0.016 | 0.010 | 17.141 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 70 | LYS | 1 | 0.939 | 0.966 | 17.447 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 71 | ASN | 0 | -0.027 | -0.014 | 18.847 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 72 | ALA | 0 | 0.014 | 0.027 | 13.557 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 73 | ALA | 0 | 0.009 | 0.000 | 14.306 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 74 | GLY | 0 | 0.009 | 0.002 | 16.076 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 75 | GLU | -1 | -0.874 | -0.895 | 13.373 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 76 | ILE | 0 | -0.068 | -0.022 | 10.473 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 77 | GLY | 0 | -0.017 | -0.004 | 12.449 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 78 | PHE | 0 | -0.022 | -0.016 | 13.923 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 79 | ALA | 0 | -0.021 | 0.012 | 17.082 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 80 | GLU | -1 | -0.981 | -0.991 | 20.447 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 81 | VAL | 0 | 0.007 | -0.001 | 19.411 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 82 | ASN | 0 | -0.028 | -0.005 | 22.048 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 83 | VAL | 0 | 0.000 | -0.017 | 23.727 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 84 | VAL | 0 | -0.006 | 0.011 | 26.122 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 85 | GLY | 0 | 0.049 | 0.003 | 27.949 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 86 | PRO | 0 | -0.034 | 0.009 | 30.488 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 87 | LEU | 0 | 0.016 | -0.015 | 33.444 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 88 | GLU | -1 | -0.938 | -0.962 | 36.191 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 89 | ALA | 0 | 0.022 | 0.019 | 33.514 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 90 | SER | 0 | -0.024 | -0.014 | 34.724 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 91 | SER | 0 | 0.080 | 0.046 | 34.028 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 92 | SER | 0 | 0.033 | 0.003 | 33.135 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 93 | SER | 0 | -0.085 | -0.055 | 33.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 94 | GLN | 0 | 0.029 | -0.020 | 27.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 95 | VAL | 0 | 0.030 | 0.025 | 30.572 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 96 | SER | 0 | -0.014 | -0.007 | 31.953 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 97 | PHE | 0 | 0.019 | 0.015 | 29.767 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 98 | ILE | 0 | 0.020 | 0.023 | 26.358 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 99 | ASN | 0 | 0.010 | -0.011 | 28.059 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 100 | SER | 0 | -0.065 | -0.046 | 30.740 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 101 | GLU | -1 | -0.798 | -0.865 | 25.539 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 102 | VAL | 0 | 0.000 | 0.013 | 25.812 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 103 | GLN | 0 | -0.094 | -0.048 | 27.448 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 104 | ALA | 0 | -0.040 | -0.013 | 27.879 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 105 | GLY | 0 | -0.019 | 0.007 | 25.868 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 106 | THR | 0 | -0.030 | -0.033 | 21.600 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 107 | ASN | 0 | 0.019 | 0.035 | 18.114 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 108 | VAL | 0 | 0.004 | 0.008 | 14.925 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 109 | LEU | 0 | 0.009 | -0.004 | 18.007 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 110 | VAL | 0 | 0.005 | 0.005 | 16.939 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 111 | ILE | 0 | -0.013 | -0.007 | 19.579 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 112 | ALA | 0 | 0.001 | 0.015 | 22.185 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 113 | ALA | 0 | -0.012 | 0.000 | 24.362 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 114 | ASN | 0 | -0.023 | -0.031 | 26.775 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 115 | ASP | -1 | -0.896 | -0.946 | 30.322 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 116 | PRO | 0 | -0.015 | -0.003 | 27.846 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 117 | ASP | -1 | -0.843 | -0.937 | 28.265 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 118 | ALA | 0 | -0.086 | -0.050 | 31.000 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 119 | VAL | 0 | -0.007 | -0.012 | 27.114 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 120 | CYS | 0 | -0.051 | 0.001 | 23.369 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 121 | PRO | 0 | 0.032 | 0.001 | 27.544 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 122 | ALA | 0 | -0.001 | 0.004 | 29.253 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 123 | LEU | 0 | 0.010 | 0.003 | 23.534 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 124 | GLN | 0 | -0.059 | -0.043 | 23.999 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 125 | ASP | -1 | -0.844 | -0.914 | 25.514 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 126 | ALA | 0 | 0.022 | 0.011 | 23.648 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 127 | ARG | 1 | 0.851 | 0.920 | 18.174 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 128 | LYS | 1 | 0.721 | 0.864 | 21.813 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 129 | ALA | 0 | -0.042 | -0.018 | 24.563 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 130 | GLY | 0 | -0.025 | -0.004 | 20.780 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 131 | THR | 0 | -0.054 | -0.021 | 19.518 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 132 | LYS | 1 | 0.832 | 0.912 | 13.624 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 133 | VAL | 0 | -0.006 | -0.001 | 17.262 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 134 | VAL | 0 | -0.016 | -0.010 | 14.239 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 135 | THR | 0 | 0.007 | -0.007 | 17.295 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 136 | PHE | 0 | 0.019 | -0.009 | 17.998 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 137 | ASP | -1 | -0.799 | -0.893 | 19.728 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 138 | SER | 0 | -0.071 | -0.026 | 22.490 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 139 | ASP | -1 | -0.725 | -0.816 | 21.621 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 140 | SER | 0 | -0.018 | -0.010 | 23.316 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 141 | ALA | 0 | 0.042 | 0.021 | 24.739 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 142 | ALA | 0 | 0.008 | -0.025 | 22.113 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 143 | ASP | -1 | -0.888 | -0.941 | 21.390 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 145 | ARG | 1 | 0.769 | 0.878 | 18.503 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 146 | ASP | -1 | -0.830 | -0.895 | 14.770 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 147 | LEU | 0 | 0.001 | -0.012 | 10.761 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 148 | PHE | 0 | 0.024 | 0.033 | 15.099 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 149 | ILE | 0 | -0.036 | -0.023 | 12.825 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 150 | ASN | 0 | 0.032 | 0.005 | 16.257 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 151 | GLN | 0 | 0.023 | 0.002 | 17.573 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 152 | VAL | 0 | -0.002 | -0.005 | 19.087 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 153 | GLU | -1 | -0.788 | -0.887 | 20.226 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 154 | SER | 0 | -0.024 | -0.024 | 21.866 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 155 | LYS | 1 | 0.884 | 0.917 | 25.250 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 156 | GLN | 0 | -0.009 | -0.020 | 21.552 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 157 | VAL | 0 | 0.004 | 0.020 | 24.891 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 158 | ALA | 0 | -0.023 | -0.015 | 27.065 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 159 | ILE | 0 | 0.028 | 0.022 | 26.388 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 160 | THR | 0 | -0.007 | -0.012 | 26.253 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 161 | MET | 0 | -0.035 | -0.024 | 28.679 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 162 | LEU | 0 | 0.002 | 0.008 | 32.102 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 163 | ASP | -1 | -0.820 | -0.885 | 30.416 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 164 | MET | 0 | -0.035 | 0.007 | 31.035 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 165 | VAL | 0 | -0.006 | 0.004 | 33.985 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 166 | SER | 0 | -0.002 | -0.002 | 36.111 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 167 | ASP | -1 | -0.962 | -0.968 | 35.084 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 168 | GLN | 0 | -0.031 | -0.020 | 36.284 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 169 | ILE | 0 | -0.099 | -0.049 | 39.591 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 170 | GLY | 0 | 0.007 | 0.017 | 40.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 171 | GLY | 0 | -0.042 | -0.018 | 40.222 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 172 | SER | 0 | -0.072 | -0.049 | 41.278 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 173 | GLY | 0 | 0.041 | 0.021 | 43.934 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 174 | LYS | 1 | 0.868 | 0.943 | 44.846 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 175 | VAL | 0 | 0.009 | -0.002 | 40.273 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 176 | ALA | 0 | -0.016 | 0.005 | 43.537 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 177 | ILE | 0 | -0.002 | -0.008 | 38.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 178 | LEU | 0 | -0.009 | 0.013 | 40.599 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 179 | SER | 0 | 0.026 | 0.008 | 38.282 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 180 | ALA | 0 | 0.077 | 0.040 | 37.145 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 181 | THR | 0 | 0.034 | 0.017 | 39.095 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 182 | ALA | 0 | 0.015 | -0.003 | 39.850 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 183 | ASN | 0 | -0.050 | -0.017 | 40.016 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 184 | ALA | 0 | 0.020 | 0.033 | 35.790 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 185 | ALA | 0 | 0.029 | 0.006 | 32.529 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 186 | ASN | 0 | 0.007 | 0.001 | 28.544 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 187 | GLN | 0 | 0.043 | 0.007 | 31.319 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 188 | ASN | 0 | -0.037 | -0.035 | 34.028 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 189 | ALA | 0 | -0.015 | 0.008 | 30.391 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 190 | TRP | 0 | 0.013 | -0.003 | 27.326 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 191 | ILE | 0 | 0.018 | 0.002 | 31.746 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 192 | LYS | 1 | 0.848 | 0.921 | 34.090 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 193 | PHE | 0 | 0.021 | -0.004 | 27.745 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 194 | MET | 0 | -0.024 | -0.008 | 32.454 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 195 | GLU | -1 | -0.809 | -0.896 | 34.506 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 196 | ASP | -1 | -0.830 | -0.890 | 34.021 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 197 | GLU | -1 | -0.853 | -0.896 | 30.858 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 198 | ILE | 0 | -0.016 | -0.001 | 34.651 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 199 | ALA | 0 | -0.023 | -0.005 | 38.211 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 200 | SER | 0 | -0.072 | -0.061 | 34.920 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 201 | ASN | 0 | -0.017 | -0.019 | 31.865 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 202 | ASP | -1 | -0.842 | -0.925 | 35.593 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 203 | LYS | 1 | 0.782 | 0.901 | 30.976 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 204 | TYR | 0 | -0.033 | -0.060 | 31.158 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 205 | LYS | 1 | 0.854 | 0.931 | 37.685 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 206 | GLY | 0 | -0.027 | 0.004 | 40.989 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 207 | ILE | 0 | -0.034 | -0.023 | 37.530 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 208 | GLU | -1 | -0.880 | -0.937 | 41.726 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 209 | ILE | 0 | -0.009 | -0.009 | 39.783 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 210 | VAL | 0 | -0.007 | -0.003 | 43.851 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 211 | ALA | 0 | -0.065 | -0.049 | 45.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 212 | LYS | 1 | 0.831 | 0.899 | 40.494 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 213 | VAL | 0 | -0.012 | 0.014 | 44.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 214 | TYR | 0 | -0.036 | -0.021 | 40.327 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 215 | GLY | 0 | 0.073 | 0.029 | 42.534 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 216 | ASP | -1 | -0.913 | -0.990 | 42.031 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 217 | ASP | -1 | -0.869 | -0.913 | 36.844 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 218 | ASP | -1 | -0.814 | -0.894 | 40.176 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 219 | ASP | -1 | -0.779 | -0.840 | 43.304 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 220 | THR | 0 | -0.010 | -0.016 | 44.379 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 221 | LYS | 1 | 0.809 | 0.902 | 46.117 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 222 | SER | 0 | 0.031 | -0.018 | 42.928 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 223 | PHE | 0 | -0.034 | -0.006 | 45.102 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 224 | GLN | 0 | -0.025 | -0.017 | 47.611 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 225 | GLU | -1 | -0.843 | -0.905 | 46.353 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 226 | ALA | 0 | 0.001 | 0.000 | 45.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 227 | GLN | 0 | -0.037 | -0.017 | 47.670 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 228 | GLY | 0 | 0.013 | 0.004 | 51.408 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 229 | LEU | 0 | -0.024 | -0.011 | 45.402 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 230 | LEU | 0 | -0.005 | -0.007 | 48.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 231 | GLN | 0 | -0.061 | -0.019 | 51.745 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 232 | ALA | 0 | -0.024 | -0.006 | 52.641 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 233 | HIS | 1 | 0.859 | 0.926 | 49.962 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 234 | PRO | 0 | 0.056 | 0.036 | 51.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 235 | ASP | -1 | -0.925 | -0.956 | 52.678 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 236 | LEU | 0 | -0.037 | -0.014 | 45.992 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 237 | ASN | 0 | 0.021 | 0.016 | 45.417 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 238 | ALA | 0 | 0.011 | -0.005 | 41.336 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 239 | ILE | 0 | 0.000 | 0.003 | 41.336 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 240 | VAL | 0 | 0.021 | 0.009 | 35.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 241 | SER | 0 | -0.008 | -0.027 | 37.376 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 242 | PRO | 0 | 0.005 | 0.006 | 33.560 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 243 | THR | 0 | -0.011 | -0.047 | 34.009 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 244 | THR | 0 | 0.056 | 0.030 | 32.161 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 245 | VAL | 0 | 0.000 | 0.015 | 35.155 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 246 | GLY | 0 | 0.032 | 0.010 | 38.514 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 247 | ILE | 0 | -0.011 | -0.004 | 35.580 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 248 | ALA | 0 | 0.052 | 0.026 | 38.873 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 249 | ALA | 0 | -0.007 | 0.003 | 40.404 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 250 | THR | 0 | -0.020 | -0.035 | 42.188 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 251 | ALA | 0 | 0.021 | 0.012 | 41.219 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 252 | ARG | 1 | 0.816 | 0.885 | 43.369 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 253 | TYR | 0 | -0.002 | 0.016 | 46.105 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 254 | LEU | 0 | 0.012 | -0.003 | 44.222 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 255 | SER | 0 | -0.036 | -0.035 | 46.298 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 256 | THR | 0 | -0.083 | -0.053 | 48.174 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 257 | SER | 0 | -0.026 | 0.013 | 50.571 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 258 | ASP | -1 | -0.883 | -0.954 | 52.382 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 259 | TYR | 0 | -0.020 | -0.025 | 49.721 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 260 | LYS | 1 | 0.853 | 0.938 | 47.568 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 261 | GLY | 0 | -0.008 | -0.003 | 46.017 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 262 | LYS | 1 | 0.789 | 0.889 | 46.692 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 263 | VAL | 0 | 0.003 | 0.012 | 45.461 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 264 | PHE | 0 | 0.026 | 0.013 | 40.991 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 265 | LEU | 0 | -0.013 | 0.005 | 39.567 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 266 | THR | 0 | -0.009 | -0.031 | 35.005 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 267 | GLY | 0 | 0.024 | 0.005 | 34.199 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 268 | LEU | 0 | -0.028 | -0.015 | 28.980 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 269 | GLY | 0 | 0.038 | 0.014 | 31.799 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 270 | LEU | 0 | -0.004 | -0.001 | 30.805 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 271 | PRO | 0 | 0.012 | 0.001 | 29.502 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 272 | ASN | 0 | -0.036 | -0.039 | 32.780 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 273 | GLU | -1 | -0.918 | -0.956 | 35.315 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 274 | MET | 0 | -0.009 | 0.005 | 35.046 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 275 | ARG | 1 | 0.833 | 0.920 | 33.010 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 276 | SER | 0 | 0.005 | -0.005 | 37.671 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 277 | PHE | 0 | 0.040 | 0.008 | 40.288 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 278 | VAL | 0 | 0.000 | 0.005 | 35.861 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 279 | LYS | 1 | 0.786 | 0.893 | 36.847 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 280 | ASP | -1 | -0.846 | -0.883 | 41.403 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 281 | GLY | 0 | 0.023 | 0.016 | 42.782 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 282 | THR | 0 | -0.110 | -0.061 | 43.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 283 | VAL | 0 | -0.018 | -0.006 | 37.103 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 284 | LYS | 1 | 0.864 | 0.946 | 38.341 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 285 | GLU | -1 | -0.799 | -0.913 | 31.768 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 286 | PHE | 0 | -0.022 | 0.016 | 31.197 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 287 | ALA | 0 | 0.026 | 0.011 | 27.822 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 288 | LEU | 0 | -0.004 | -0.008 | 26.979 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 289 | TRP | 0 | 0.041 | 0.009 | 22.118 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 290 | ASP | -1 | -0.790 | -0.888 | 20.696 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 291 | PRO | 0 | 0.004 | -0.006 | 20.661 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 292 | ALA | 0 | 0.031 | 0.021 | 20.504 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 293 | GLN | 0 | -0.050 | -0.044 | 16.517 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 294 | LEU | 0 | -0.015 | 0.003 | 15.547 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 295 | GLY | 0 | 0.016 | 0.002 | 16.230 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 296 | TYR | 0 | -0.106 | -0.070 | 11.762 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 297 | VAL | 0 | 0.024 | -0.003 | 10.668 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 298 | ALA | 0 | 0.003 | 0.006 | 11.343 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 299 | ALA | 0 | 0.021 | 0.015 | 13.425 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 300 | TYR | 0 | -0.018 | -0.032 | 7.876 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 301 | ALA | 0 | -0.037 | -0.013 | 8.703 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 302 | GLY | 0 | 0.019 | -0.002 | 10.058 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 303 | ALA | 0 | 0.014 | 0.007 | 10.060 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 304 | ALA | 0 | -0.010 | 0.009 | 6.217 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 305 | LEU | 0 | -0.011 | -0.009 | 7.962 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 306 | ASP | -1 | -0.867 | -0.928 | 10.599 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 307 | SER | 0 | -0.007 | 0.006 | 8.059 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 308 | GLY | 0 | -0.025 | -0.004 | 9.384 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 309 | ALA | 0 | -0.092 | -0.032 | 3.955 | -0.163 | 0.055 | 0.000 | -0.087 | -0.131 | 0.000 |
270 | A | 310 | ILE | 0 | -0.035 | -0.012 | 4.434 | -1.320 | -1.235 | -0.001 | -0.024 | -0.059 | 0.000 |
271 | A | 311 | LYS | 1 | 0.816 | 0.885 | 6.861 | 1.087 | 1.087 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 312 | GLY | 0 | 0.002 | -0.001 | 9.494 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 313 | GLU | -1 | -0.895 | -0.932 | 10.295 | -0.422 | -0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 314 | VAL | 0 | -0.024 | -0.022 | 10.475 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 315 | GLY | 0 | -0.018 | -0.010 | 10.545 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 316 | GLU | -1 | -0.785 | -0.868 | 6.183 | -1.211 | -1.211 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 317 | LYS | 1 | 0.850 | 0.909 | 4.142 | -1.243 | -0.927 | 0.005 | -0.102 | -0.219 | 0.000 |
278 | A | 318 | PHE | 0 | 0.055 | 0.030 | 2.825 | -0.534 | 0.358 | 1.252 | -0.708 | -1.436 | -0.004 |
279 | A | 319 | THR | 0 | -0.009 | -0.031 | 2.207 | -2.201 | -0.340 | 2.289 | -1.910 | -2.240 | -0.009 |
280 | A | 320 | ALA | 0 | -0.015 | -0.007 | 4.055 | -0.134 | -0.121 | 0.002 | -0.041 | 0.027 | 0.000 |
281 | A | 321 | GLY | 0 | 0.076 | 0.034 | 7.638 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 322 | ASN | 0 | -0.050 | -0.040 | 9.209 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 323 | LEU | 0 | -0.031 | 0.003 | 11.047 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 324 | GLY | 0 | 0.010 | 0.026 | 8.227 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 325 | GLU | -1 | -0.846 | -0.914 | 2.482 | -1.171 | 1.276 | 1.509 | -1.827 | -2.129 | -0.020 |
286 | A | 326 | ARG | 1 | 0.806 | 0.899 | 6.099 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 327 | THR | 0 | -0.015 | -0.018 | 6.998 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 328 | ILE | 0 | -0.025 | 0.017 | 8.037 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 329 | GLY | 0 | 0.062 | 0.031 | 10.853 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 330 | GLU | -1 | -0.895 | -0.961 | 14.278 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 331 | ASN | 0 | -0.028 | -0.031 | 17.463 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 332 | LYS | 1 | 0.839 | 0.910 | 14.310 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 333 | THR | 0 | 0.006 | 0.018 | 15.437 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 334 | VAL | 0 | -0.003 | -0.002 | 10.944 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 335 | VAL | 0 | -0.008 | 0.005 | 13.767 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 336 | VAL | 0 | -0.011 | -0.006 | 13.922 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 337 | GLY | 0 | -0.001 | -0.004 | 14.684 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 338 | ASP | -1 | -0.854 | -0.907 | 17.070 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 339 | PRO | 0 | -0.028 | -0.025 | 20.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 340 | VAL | 0 | -0.019 | 0.008 | 22.176 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 341 | ARG | 1 | 0.925 | 0.955 | 24.454 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 342 | PHE | 0 | -0.056 | -0.022 | 26.299 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 343 | ASN | 0 | 0.078 | 0.015 | 30.348 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 344 | ALA | 0 | 0.033 | -0.003 | 33.267 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 345 | ASP | -1 | -0.877 | -0.925 | 32.274 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 346 | ASN | 0 | -0.050 | -0.045 | 27.287 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 347 | ILE | 0 | 0.044 | 0.045 | 30.041 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 348 | ASP | -1 | -0.847 | -0.931 | 32.302 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 349 | LYS | 1 | 0.818 | 0.911 | 27.963 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 350 | TYR | 0 | -0.016 | 0.006 | 23.265 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 351 | ASP | -1 | -0.882 | -0.929 | 28.721 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 352 | PHE | 0 | 0.052 | 0.026 | 25.627 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |