![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: YZ2Z2
Calculation Name: 4JXU-A-Xray372
Preferred Name:
Target Type:
Ligand Name: (2s)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid
ligand 3-letter code: LLP
PDB ID: 4JXU
Chain ID: A
UniProt ID: Q92RC2
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 | 288 |
LigandCharge | LLP=-1 |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3906424.4239 |
---|---|
FMO2-HF: Nuclear repulsion | 3793682.203165 |
FMO2-HF: Total energy | -112742.220736 |
FMO2-MP2: Total energy | -113064.956334 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F031465/ligand_interaction/ligand_F031465.png)
Ligand Interaction
![ligand interaction](./Kdata/F031465/ligand_interaction/ligand_interaction_F031465.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:2:ALA)
Summations of interaction energy for
fragment #1(A:2: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. |
-0.036 | 1.348 | -0.012 | -0.599 | -0.774 | 0.001 |
Interaction energy analysis for fragmet #1(A:2: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 | 4 | ASP | -1 | -0.837 | -0.889 | 3.853 | -1.225 | 0.159 | -0.012 | -0.599 | -0.774 | 0.001 |
4 | A | 5 | THR | 0 | 0.007 | -0.003 | 5.983 | 0.392 | 0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 6 | SER | 0 | -0.071 | -0.037 | 8.713 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 7 | PRO | 0 | -0.012 | -0.010 | 11.320 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 8 | ARG | 1 | 0.926 | 0.958 | 10.810 | 0.441 | 0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 9 | SER | 0 | -0.026 | -0.013 | 15.912 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 10 | THR | 0 | 0.027 | 0.000 | 18.592 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 11 | THR | 0 | -0.037 | -0.037 | 18.725 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 12 | TRP | 0 | 0.009 | 0.002 | 20.787 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 13 | THR | 0 | 0.001 | -0.014 | 20.748 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 14 | PHE | 0 | 0.024 | 0.020 | 23.382 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 15 | VAL | 0 | 0.008 | -0.021 | 22.270 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 16 | ASP | -1 | -0.822 | -0.894 | 25.507 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 17 | GLY | 0 | -0.014 | -0.005 | 27.788 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 18 | GLU | -1 | -0.921 | -0.948 | 24.061 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 19 | TRP | 0 | -0.038 | -0.016 | 25.639 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 20 | LEU | 0 | -0.003 | 0.008 | 20.418 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 21 | ALA | 0 | 0.020 | 0.010 | 19.825 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 22 | GLY | 0 | -0.016 | -0.010 | 16.081 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 23 | ASN | 0 | -0.063 | -0.061 | 12.220 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 24 | PRO | 0 | 0.000 | 0.019 | 13.841 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 25 | PRO | 0 | 0.015 | -0.006 | 12.780 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 26 | LEU | 0 | 0.005 | 0.011 | 15.544 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 27 | ILE | 0 | -0.002 | 0.011 | 17.676 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 28 | GLY | 0 | 0.031 | 0.015 | 16.894 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 29 | PRO | 0 | 0.015 | -0.023 | 16.663 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 30 | THR | 0 | -0.032 | -0.020 | 18.500 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 31 | SER | 0 | -0.027 | -0.019 | 21.158 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 32 | HIS | 0 | 0.003 | 0.029 | 22.287 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 33 | ALA | 0 | -0.007 | -0.010 | 22.880 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 34 | MET | 0 | -0.091 | -0.029 | 14.593 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 35 | TRP | 0 | -0.069 | -0.042 | 18.695 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 36 | LEU | 0 | -0.045 | -0.006 | 21.022 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 37 | GLY | 0 | -0.008 | 0.004 | 23.241 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 38 | SER | 0 | 0.007 | -0.019 | 24.598 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 39 | THR | 0 | -0.008 | -0.014 | 22.353 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 40 | VAL | 0 | -0.001 | -0.001 | 25.796 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 41 | PHE | 0 | -0.058 | -0.024 | 25.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 42 | ASP | -1 | -0.726 | -0.829 | 27.811 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 43 | GLY | 0 | -0.020 | -0.026 | 28.257 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 44 | ALA | 0 | 0.002 | 0.012 | 29.667 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 45 | ARG | 1 | 0.846 | 0.912 | 30.108 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 46 | TRP | 0 | 0.052 | 0.051 | 31.323 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 47 | PHE | 0 | -0.018 | -0.053 | 31.977 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 48 | ASP | -1 | -0.879 | -0.936 | 34.426 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 49 | GLY | 0 | 0.013 | 0.001 | 36.430 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 50 | ILE | 0 | -0.007 | 0.018 | 37.679 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 51 | ALA | 0 | 0.001 | -0.019 | 35.321 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 52 | PRO | 0 | -0.007 | 0.002 | 36.512 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 53 | ASP | -1 | -0.781 | -0.886 | 37.502 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 54 | LEU | 0 | -0.023 | -0.008 | 33.699 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 55 | ASP | -1 | -0.760 | -0.886 | 36.660 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 56 | LEU | 0 | -0.030 | -0.006 | 39.041 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 57 | HIS | 1 | 0.796 | 0.877 | 33.628 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 58 | CYS | 0 | -0.034 | 0.003 | 34.539 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 59 | GLN | 0 | 0.003 | -0.004 | 35.579 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 60 | ARG | 1 | 0.677 | 0.788 | 33.367 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 61 | VAL | 0 | 0.000 | 0.015 | 30.264 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 62 | ASN | 0 | 0.033 | 0.010 | 33.459 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 63 | ARG | 1 | 1.001 | 1.009 | 35.834 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 64 | SER | 0 | 0.000 | -0.015 | 32.233 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 65 | ALA | 0 | 0.005 | 0.007 | 32.652 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 66 | GLU | -1 | -0.926 | -0.964 | 33.615 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 67 | ALA | 0 | -0.050 | -0.020 | 35.533 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 68 | LEU | 0 | -0.072 | -0.030 | 28.705 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 69 | GLY | 0 | -0.029 | -0.006 | 32.667 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 70 | LEU | 0 | -0.059 | -0.024 | 29.094 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 71 | LYS | 1 | 0.863 | 0.907 | 33.597 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 72 | PRO | 0 | -0.051 | -0.020 | 34.120 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 73 | THR | 0 | 0.039 | -0.006 | 32.751 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 74 | MET | 0 | -0.019 | 0.033 | 32.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 75 | SER | 0 | 0.047 | 0.025 | 35.573 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 76 | ALA | 0 | 0.030 | -0.011 | 37.107 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 77 | GLU | -1 | -0.877 | -0.931 | 37.729 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 78 | GLU | -1 | -0.920 | -0.955 | 35.192 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 79 | ILE | 0 | -0.064 | -0.028 | 32.051 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 80 | GLU | -1 | -0.873 | -0.965 | 33.744 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 81 | GLY | 0 | -0.002 | 0.000 | 35.804 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 82 | LEU | 0 | -0.002 | -0.004 | 31.387 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 83 | ALA | 0 | 0.008 | -0.001 | 31.323 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 84 | TRP | 0 | -0.002 | -0.015 | 32.330 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 85 | GLU | -1 | -0.900 | -0.932 | 33.146 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 86 | GLY | 0 | 0.014 | -0.009 | 29.652 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 87 | VAL | 0 | -0.011 | -0.013 | 29.319 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 88 | LYS | 1 | 0.817 | 0.905 | 31.124 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 89 | LYS | 1 | 0.839 | 0.946 | 26.992 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 90 | PHE | 0 | -0.044 | -0.014 | 24.061 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 91 | ASP | -1 | -0.803 | -0.895 | 28.636 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 92 | GLY | 0 | 0.008 | 0.014 | 30.286 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 93 | LYS | 1 | 0.778 | 0.867 | 30.715 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 94 | THR | 0 | -0.006 | -0.006 | 26.427 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 95 | ALA | 0 | -0.044 | -0.023 | 29.564 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 96 | ILE | 0 | 0.007 | 0.011 | 26.713 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 97 | TYR | 0 | -0.054 | -0.022 | 25.128 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 98 | VAL | 0 | 0.034 | 0.015 | 26.394 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 99 | LYS | 1 | 0.912 | 0.944 | 20.419 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 100 | PRO | 0 | 0.031 | 0.030 | 25.869 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 101 | MET | 0 | -0.024 | -0.026 | 21.339 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 102 | TYR | 0 | 0.022 | 0.007 | 26.607 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 103 | TRP | 0 | -0.081 | -0.069 | 23.494 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 104 | GLY | 0 | 0.105 | 0.064 | 26.648 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 105 | GLU | -1 | -0.753 | -0.837 | 23.933 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 106 | HIS | 0 | -0.002 | -0.007 | 26.391 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 107 | GLY | 0 | 0.022 | 0.026 | 28.971 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 108 | SER | 0 | 0.013 | -0.004 | 30.880 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 109 | TRP | 0 | -0.019 | -0.015 | 34.625 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 110 | SER | 0 | -0.013 | 0.006 | 34.061 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 111 | VAL | 0 | 0.033 | 0.005 | 28.111 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 112 | VAL | 0 | 0.026 | 0.000 | 29.441 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 113 | ALA | 0 | -0.028 | -0.004 | 30.325 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 114 | VAL | 0 | 0.013 | 0.012 | 29.353 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 115 | ASP | -1 | -0.865 | -0.937 | 31.429 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 116 | PRO | 0 | 0.041 | 0.044 | 32.719 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 117 | GLU | -1 | -0.844 | -0.908 | 34.096 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 118 | SER | 0 | -0.081 | -0.043 | 29.874 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 119 | THR | 0 | -0.030 | -0.035 | 29.274 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 120 | ARG | 1 | 0.789 | 0.880 | 22.381 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 121 | PHE | 0 | 0.039 | -0.002 | 28.000 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 122 | ALA | 0 | -0.011 | 0.001 | 23.909 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 123 | LEU | 0 | -0.037 | -0.003 | 25.878 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 124 | CYS | 0 | -0.046 | -0.012 | 21.161 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 125 | LEU | 0 | 0.021 | 0.019 | 24.004 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 126 | PHE | 0 | 0.003 | -0.016 | 21.327 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 127 | GLU | -1 | -0.801 | -0.868 | 22.965 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 128 | ALA | 0 | -0.012 | -0.004 | 23.007 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 129 | PRO | 0 | 0.024 | 0.019 | 20.619 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 130 | MET | 0 | -0.025 | -0.028 | 19.469 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 131 | GLY | 0 | 0.027 | 0.031 | 24.947 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 132 | ASN | 0 | -0.017 | -0.015 | 27.157 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 133 | GLY | 0 | 0.058 | 0.031 | 30.485 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 134 | HIS | 0 | 0.035 | 0.005 | 34.146 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 135 | ALA | 0 | -0.020 | -0.006 | 32.927 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 136 | GLY | 0 | 0.024 | 0.021 | 34.316 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 137 | SER | 0 | -0.041 | 0.000 | 32.180 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 138 | SER | 0 | -0.024 | -0.047 | 31.950 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 139 | LEU | 0 | -0.015 | -0.016 | 32.591 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 140 | THR | 0 | 0.013 | -0.007 | 32.157 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 141 | LEU | 0 | -0.010 | 0.001 | 35.019 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 142 | SER | 0 | 0.018 | 0.010 | 30.855 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 143 | PRO | 0 | -0.013 | 0.008 | 31.185 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 144 | PHE | 0 | -0.020 | -0.017 | 27.402 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 145 | ARG | 1 | 0.892 | 0.954 | 32.291 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 146 | ARG | 1 | 0.877 | 0.943 | 31.177 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 147 | PRO | 0 | 0.018 | 0.004 | 31.681 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 148 | THR | 0 | 0.042 | -0.007 | 34.607 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 149 | LEU | 0 | 0.050 | 0.022 | 36.657 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 150 | GLU | -1 | -0.981 | -0.983 | 38.337 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 151 | CYS | 0 | -0.101 | -0.036 | 35.145 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 152 | MET | 0 | -0.001 | -0.006 | 28.665 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 153 | PRO | 0 | 0.062 | 0.044 | 31.723 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 154 | THR | 0 | -0.085 | -0.086 | 33.171 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 155 | ASP | -1 | -0.895 | -0.947 | 34.753 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 156 | ALA | 0 | -0.025 | 0.009 | 32.234 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 157 | LLP | -1 | -0.827 | -0.849 | 29.329 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 158 | ALA | 0 | 0.091 | 0.034 | 27.874 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 159 | GLY | 0 | 0.031 | 0.016 | 23.703 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 160 | CYS | 0 | 0.001 | -0.002 | 24.070 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 161 | LEU | 0 | 0.020 | 0.009 | 25.501 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 162 | TYR | 0 | -0.049 | -0.035 | 23.529 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 163 | PRO | 0 | 0.006 | -0.001 | 21.223 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 164 | ASN | 0 | 0.025 | 0.020 | 22.928 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 165 | ASN | 0 | 0.029 | 0.007 | 25.537 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 166 | ALA | 0 | 0.023 | 0.021 | 20.719 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 167 | ARG | 1 | 0.876 | 0.937 | 22.848 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 168 | ILE | 0 | 0.003 | 0.009 | 24.497 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 169 | LEU | 0 | 0.014 | 0.013 | 24.197 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 170 | ASN | 0 | -0.056 | -0.036 | 19.872 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 171 | GLU | -1 | -0.800 | -0.878 | 23.492 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 172 | ALA | 0 | 0.054 | 0.051 | 26.450 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 173 | ARG | 1 | 0.987 | 0.998 | 19.817 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 174 | SER | 0 | -0.160 | -0.084 | 24.759 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 175 | ARG | 1 | 0.794 | 0.847 | 25.939 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 176 | GLY | 0 | -0.016 | -0.001 | 28.212 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 177 | PHE | 0 | -0.040 | -0.008 | 29.300 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 178 | ASP | -1 | -0.857 | -0.891 | 27.883 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 179 | ASN | 0 | -0.045 | -0.034 | 27.813 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 180 | ALA | 0 | 0.014 | -0.006 | 30.045 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 181 | LEU | 0 | 0.008 | 0.015 | 32.477 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 182 | VAL | 0 | -0.011 | -0.025 | 31.982 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 183 | ARG | 1 | 0.915 | 0.966 | 35.151 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 184 | ASP | -1 | -0.713 | -0.879 | 36.793 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 185 | MET | 0 | -0.015 | -0.034 | 37.571 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 186 | LEU | 0 | -0.051 | -0.015 | 40.131 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 187 | GLY | 0 | -0.070 | -0.025 | 41.766 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 188 | ASN | 0 | 0.005 | 0.010 | 42.725 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 189 | ILE | 0 | -0.059 | -0.028 | 38.916 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 190 | ALA | 0 | -0.021 | -0.003 | 37.138 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 191 | GLU | -1 | -0.801 | -0.915 | 33.472 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 192 | THR | 0 | 0.018 | 0.021 | 32.616 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 193 | GLY | 0 | 0.009 | -0.005 | 29.192 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 194 | SER | 0 | -0.077 | -0.043 | 27.709 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 195 | SER | 0 | -0.025 | -0.001 | 29.552 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 196 | ASN | 0 | 0.021 | 0.013 | 33.137 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 197 | ILE | 0 | -0.001 | 0.000 | 36.832 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 198 | PHE | 0 | 0.022 | 0.021 | 39.017 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 199 | MET | 0 | -0.020 | -0.005 | 42.227 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 200 | VAL | 0 | -0.011 | 0.001 | 44.870 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 201 | LYS | 1 | 0.817 | 0.903 | 48.127 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 202 | ASP | -1 | -0.865 | -0.941 | 51.093 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 203 | GLY | 0 | -0.046 | -0.022 | 53.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 204 | VAL | 0 | 0.013 | 0.021 | 52.230 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 205 | VAL | 0 | -0.030 | -0.017 | 46.778 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 206 | PHE | 0 | 0.026 | 0.019 | 47.530 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 207 | THR | 0 | -0.028 | -0.035 | 42.358 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 208 | PRO | 0 | -0.015 | 0.004 | 40.847 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 209 | ALA | 0 | 0.029 | 0.023 | 43.476 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 210 | ALA | 0 | -0.025 | -0.006 | 42.284 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 211 | ASN | 0 | 0.042 | 0.030 | 41.005 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 212 | ARG | 1 | 0.981 | 0.993 | 39.831 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 213 | THR | 0 | -0.011 | 0.004 | 37.435 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 214 | PHE | 0 | -0.060 | -0.031 | 35.212 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 215 | LEU | 0 | 0.024 | 0.025 | 32.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 216 | ALA | 0 | 0.016 | 0.019 | 36.219 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 217 | GLY | 0 | -0.010 | -0.029 | 36.986 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 218 | ILE | 0 | -0.011 | -0.011 | 36.436 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 219 | THR | 0 | -0.031 | -0.043 | 36.110 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 220 | ARG | 1 | 0.764 | 0.868 | 38.909 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 221 | SER | 0 | 0.013 | 0.010 | 40.781 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 222 | ARG | 1 | 0.909 | 0.942 | 42.087 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 223 | VAL | 0 | 0.002 | -0.001 | 41.319 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 224 | MET | 0 | -0.033 | -0.013 | 44.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 225 | GLY | 0 | 0.014 | 0.027 | 46.738 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 226 | LEU | 0 | -0.008 | -0.006 | 44.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 227 | LEU | 0 | -0.014 | -0.014 | 46.186 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 228 | SER | 0 | 0.001 | -0.015 | 49.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 229 | GLU | -1 | -0.990 | -0.983 | 51.440 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 230 | ALA | 0 | -0.083 | -0.033 | 52.305 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 231 | GLY | 0 | -0.034 | -0.017 | 54.134 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 232 | PHE | 0 | -0.061 | -0.027 | 51.748 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 233 | GLU | -1 | -0.915 | -0.957 | 54.023 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 234 | VAL | 0 | -0.024 | -0.026 | 48.256 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 235 | ILE | 0 | -0.011 | -0.003 | 50.246 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 236 | GLU | -1 | -0.766 | -0.865 | 46.048 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 237 | THR | 0 | 0.013 | -0.009 | 47.378 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 238 | SER | 0 | -0.062 | -0.021 | 46.426 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 239 | LEU | 0 | 0.020 | 0.019 | 44.405 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 240 | THR | 0 | -0.008 | -0.040 | 44.376 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 241 | MET | 0 | 0.021 | -0.003 | 39.463 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 242 | ALA | 0 | 0.028 | 0.032 | 43.385 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 243 | ASP | -1 | -0.816 | -0.894 | 46.561 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 244 | PHE | 0 | 0.009 | -0.016 | 41.790 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 245 | GLU | -1 | -0.938 | -0.980 | 43.497 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 246 | GLY | 0 | -0.013 | 0.007 | 45.320 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 247 | ALA | 0 | -0.024 | 0.001 | 45.362 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 248 | ASP | -1 | -0.767 | -0.875 | 47.143 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 249 | GLU | -1 | -0.800 | -0.882 | 44.775 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 250 | ILE | 0 | 0.012 | 0.002 | 39.673 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 251 | PHE | 0 | -0.027 | -0.004 | 39.217 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 252 | THR | 0 | 0.016 | 0.000 | 34.374 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 253 | SER | 0 | 0.054 | 0.018 | 36.972 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 254 | GLY | 0 | 0.053 | 0.036 | 33.798 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 255 | ASN | 0 | -0.028 | -0.030 | 28.779 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 256 | TYR | 0 | 0.019 | 0.020 | 25.311 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 257 | SER | 0 | 0.034 | 0.030 | 31.436 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 258 | LYS | 1 | 0.792 | 0.902 | 29.433 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 259 | VAL | 0 | 0.094 | 0.036 | 35.594 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 260 | LEU | 0 | -0.050 | -0.016 | 32.556 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 261 | PRO | 0 | 0.060 | 0.038 | 36.857 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 262 | VAL | 0 | -0.033 | -0.018 | 36.095 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 263 | THR | 0 | 0.021 | 0.005 | 37.331 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 264 | ARG | 1 | 0.869 | 0.947 | 32.835 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 265 | LEU | 0 | 0.036 | 0.031 | 37.257 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 266 | GLU | -1 | -0.800 | -0.899 | 36.937 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 267 | GLN | 0 | -0.011 | -0.027 | 37.042 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 268 | ARG | 1 | 0.822 | 0.920 | 40.219 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 269 | GLU | -1 | -0.929 | -0.970 | 39.295 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 270 | LEU | 0 | -0.072 | -0.032 | 41.358 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 271 | GLN | 0 | 0.020 | 0.000 | 42.310 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 272 | ALA | 0 | 0.003 | 0.001 | 41.196 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 273 | GLY | 0 | 0.011 | 0.007 | 43.036 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 274 | PRO | 0 | -0.002 | -0.001 | 45.906 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 275 | VAL | 0 | 0.026 | 0.005 | 47.561 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 276 | THR | 0 | -0.028 | -0.031 | 41.470 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 277 | ALA | 0 | -0.044 | -0.024 | 43.819 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 278 | LYS | 1 | 0.985 | 1.007 | 45.240 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 279 | ALA | 0 | 0.031 | 0.011 | 44.047 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 280 | ARG | 1 | 0.797 | 0.871 | 37.343 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 281 | ASP | -1 | -0.907 | -0.959 | 43.033 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 282 | LEU | 0 | -0.023 | -0.012 | 45.820 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 283 | TYR | 0 | -0.017 | -0.003 | 39.187 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 284 | MET | 0 | -0.053 | -0.029 | 40.976 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 285 | ASP | -1 | -0.903 | -0.945 | 43.215 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 286 | TRP | 0 | -0.031 | -0.022 | 41.518 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 287 | ALA | 0 | -0.031 | -0.022 | 41.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 288 | HIS | 1 | 0.821 | 0.910 | 40.840 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 289 | ALA | 0 | -0.041 | 0.011 | 44.587 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |