![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: R8128
Calculation Name: 4GUZ-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4GUZ
Chain ID: A
UniProt ID: B1ME52
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 | OptH |
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 | 284 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4054462.080337 |
---|---|
FMO2-HF: Nuclear repulsion | 3944588.799249 |
FMO2-HF: Total energy | -109873.281088 |
FMO2-MP2: Total energy | -110199.122232 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F032470/ligand_interaction/ligand_F032470.png)
Ligand Interaction
![ligand interaction](./Kdata/F032470/ligand_interaction/ligand_interaction_F032470.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:-5:VAL)
Summations of interaction energy for
fragment #1(A:-5:VAL)
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. |
-2.652 | -0.464 | 0.234 | -1.087 | -1.334 | -0.004 |
Interaction energy analysis for fragmet #1(A:-5:VAL)
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 | -3 | ARG | 1 | 0.975 | 0.993 | 2.915 | -2.026 | 0.089 | 0.235 | -1.083 | -1.266 | -0.004 |
4 | A | -2 | GLY | 0 | 0.055 | 0.030 | 5.333 | 0.495 | 0.568 | -0.001 | -0.004 | -0.068 | 0.000 |
5 | A | -1 | SER | 0 | 0.016 | -0.010 | 7.093 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 0 | HIS | 0 | -0.025 | -0.016 | 8.873 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 1 | MET | 0 | -0.015 | 0.011 | 12.102 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 2 | TRP | 0 | 0.069 | 0.019 | 15.230 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 3 | ASN | 0 | -0.033 | -0.018 | 15.573 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 4 | GLY | 0 | 0.071 | 0.032 | 16.030 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 5 | ASP | -1 | -0.936 | -0.973 | 12.016 | -0.683 | -0.683 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 6 | GLU | -1 | -0.970 | -0.977 | 15.658 | -0.350 | -0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 7 | LEU | 0 | -0.001 | 0.016 | 18.158 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 8 | GLN | 0 | -0.026 | -0.014 | 20.588 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 9 | LEU | 0 | -0.009 | -0.016 | 21.058 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 10 | ASP | -1 | -0.836 | -0.923 | 23.548 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 11 | GLU | -1 | -0.857 | -0.925 | 26.351 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 12 | TYR | 0 | 0.025 | -0.019 | 26.272 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 13 | LEU | 0 | -0.033 | -0.025 | 25.682 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 14 | ALA | 0 | 0.020 | 0.020 | 29.376 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 15 | PHE | 0 | -0.032 | -0.011 | 31.618 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 16 | ILE | 0 | -0.075 | -0.025 | 30.147 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 17 | GLY | 0 | 0.006 | 0.008 | 33.551 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 18 | PHE | 0 | -0.078 | -0.039 | 28.800 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 19 | ASP | -1 | -0.924 | -0.963 | 31.895 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 20 | GLY | 0 | 0.011 | -0.005 | 31.968 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 21 | ASP | -1 | -0.877 | -0.949 | 27.767 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 22 | ARG | 1 | 0.898 | 0.938 | 23.912 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 23 | SER | 0 | -0.019 | -0.009 | 23.860 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 24 | PRO | 0 | 0.007 | 0.014 | 20.880 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 25 | THR | 0 | -0.017 | -0.013 | 24.040 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 26 | LEU | 0 | 0.041 | 0.006 | 27.565 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 27 | GLU | -1 | -0.886 | -0.952 | 30.701 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 28 | THR | 0 | -0.046 | -0.011 | 26.806 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 29 | LEU | 0 | 0.014 | 0.004 | 27.237 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 30 | ARG | 1 | 0.911 | 0.955 | 29.658 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 31 | ARG | 1 | 0.881 | 0.956 | 30.794 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 32 | LEU | 0 | -0.016 | 0.003 | 26.401 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 33 | GLN | 0 | 0.028 | 0.004 | 30.696 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 34 | ARG | 1 | 0.874 | 0.927 | 32.489 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 35 | GLY | 0 | 0.040 | 0.026 | 34.256 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 36 | HIS | 0 | 0.013 | -0.002 | 29.639 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 37 | VAL | 0 | -0.040 | -0.025 | 33.026 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 38 | LEU | 0 | -0.046 | -0.010 | 35.949 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 39 | ASN | 0 | -0.052 | -0.019 | 35.393 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 40 | ILE | 0 | -0.067 | -0.022 | 31.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 41 | LYS | 1 | 0.951 | 1.001 | 34.841 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 42 | TRP | 0 | -0.021 | -0.016 | 35.988 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 43 | GLU | -1 | -0.750 | -0.857 | 37.503 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 44 | ASN | 0 | 0.010 | 0.001 | 37.380 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 45 | LEU | 0 | 0.031 | 0.009 | 38.969 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 46 | ASP | -1 | -0.803 | -0.878 | 34.981 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 47 | ALA | 0 | -0.011 | 0.008 | 37.380 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 48 | VAL | 0 | -0.036 | -0.007 | 38.688 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 49 | LEU | 0 | -0.040 | -0.024 | 41.027 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 50 | HIS | 0 | -0.005 | -0.007 | 37.747 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 51 | LYS | 1 | 0.786 | 0.917 | 38.521 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 52 | HIS | 0 | -0.003 | -0.012 | 30.361 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 53 | VAL | 0 | 0.035 | 0.015 | 30.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 54 | ALA | 0 | -0.035 | 0.003 | 28.091 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 55 | LEU | 0 | -0.003 | -0.024 | 25.904 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 56 | ASP | -1 | -0.911 | -0.949 | 22.440 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 57 | ILE | 0 | 0.055 | 0.025 | 20.603 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 58 | PRO | 0 | -0.030 | -0.018 | 21.069 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 59 | ALA | 0 | 0.023 | 0.016 | 23.778 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 60 | VAL | 0 | -0.003 | 0.001 | 26.091 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 61 | GLN | 0 | 0.016 | 0.000 | 22.289 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 62 | ALA | 0 | -0.038 | -0.020 | 27.492 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 63 | LYS | 1 | 0.818 | 0.910 | 29.327 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 64 | LEU | 0 | -0.019 | -0.011 | 30.097 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 65 | LEU | 0 | -0.017 | 0.002 | 27.818 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 66 | ARG | 1 | 0.824 | 0.916 | 26.026 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 67 | SER | 0 | -0.044 | -0.027 | 33.212 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 68 | PRO | 0 | 0.014 | 0.033 | 36.151 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 69 | ARG | 1 | 0.779 | 0.847 | 36.025 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 70 | GLY | 0 | 0.041 | -0.004 | 35.857 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 71 | GLY | 0 | -0.007 | -0.006 | 33.369 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 72 | TYR | 0 | 0.036 | -0.002 | 32.281 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 73 | CYS | 0 | 0.005 | 0.005 | 31.804 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 74 | TYR | 0 | -0.015 | -0.051 | 28.726 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 75 | GLU | -1 | -0.798 | -0.882 | 27.841 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 76 | HIS | 0 | 0.001 | 0.025 | 28.123 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 77 | VAL | 0 | -0.001 | -0.004 | 25.682 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 78 | ALA | 0 | -0.014 | 0.001 | 23.878 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 79 | LEU | 0 | 0.018 | 0.008 | 23.300 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 80 | PHE | 0 | 0.010 | -0.003 | 24.437 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 81 | GLY | 0 | 0.030 | 0.011 | 22.612 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 82 | ALA | 0 | -0.007 | -0.003 | 19.738 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 83 | VAL | 0 | 0.003 | -0.004 | 19.995 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 84 | LEU | 0 | -0.022 | -0.008 | 21.688 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 85 | GLN | 0 | -0.026 | -0.010 | 14.587 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 86 | ARG | 1 | 0.867 | 0.917 | 16.819 | 0.335 | 0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 87 | LEU | 0 | -0.056 | -0.020 | 18.427 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 88 | GLY | 0 | 0.000 | 0.012 | 17.720 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 89 | PHE | 0 | -0.024 | -0.015 | 18.673 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 90 | ASP | -1 | -0.893 | -0.933 | 19.626 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 91 | PHE | 0 | -0.030 | -0.028 | 19.052 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 92 | TYR | 0 | -0.054 | -0.047 | 20.723 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 93 | GLY | 0 | 0.061 | 0.039 | 22.851 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 94 | ILE | 0 | 0.014 | 0.019 | 24.881 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 95 | GLN | 0 | 0.071 | 0.049 | 28.237 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 96 | GLY | 0 | 0.003 | 0.004 | 31.113 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 97 | ARG | 1 | 0.860 | 0.927 | 34.797 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 98 | VAL | 0 | 0.045 | 0.017 | 37.995 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 99 | GLN | 0 | -0.067 | -0.055 | 40.317 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 100 | MET | 0 | 0.000 | 0.001 | 43.785 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 101 | GLY | 0 | 0.020 | 0.017 | 45.969 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 102 | ALA | 0 | -0.069 | -0.020 | 47.039 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 103 | THR | 0 | 0.038 | 0.006 | 47.189 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 104 | THR | 0 | -0.032 | -0.006 | 46.789 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 105 | ILE | 0 | 0.015 | 0.011 | 41.385 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 106 | ARG | 1 | 0.937 | 0.992 | 41.293 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 107 | PRO | 0 | 0.030 | -0.004 | 37.540 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 108 | ALA | 0 | -0.024 | -0.020 | 33.746 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 109 | THR | 0 | -0.057 | -0.034 | 33.397 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 110 | HIS | 0 | 0.012 | -0.008 | 34.042 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 111 | GLY | 0 | 0.037 | 0.028 | 29.760 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 112 | MET | 0 | -0.067 | -0.018 | 29.516 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 113 | LEU | 0 | 0.014 | 0.007 | 23.939 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 114 | VAL | 0 | -0.003 | 0.010 | 26.304 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 115 | VAL | 0 | 0.022 | 0.006 | 25.076 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 116 | ARG | 1 | 0.897 | 0.952 | 21.484 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 117 | LEU | 0 | -0.013 | -0.007 | 25.053 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 118 | ALA | 0 | 0.012 | 0.007 | 26.794 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 119 | ALA | 0 | -0.024 | -0.009 | 28.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 120 | GLU | -1 | -0.829 | -0.887 | 30.344 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 121 | GLN | 0 | 0.035 | 0.025 | 28.395 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 122 | TRP | 0 | 0.010 | 0.004 | 29.685 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 123 | LEU | 0 | 0.017 | 0.009 | 29.950 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 124 | CYS | 0 | 0.004 | 0.000 | 29.075 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 125 | ASP | -1 | -0.781 | -0.871 | 30.686 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 126 | VAL | 0 | 0.046 | 0.007 | 29.504 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 127 | GLY | 0 | 0.035 | 0.019 | 32.801 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 128 | PHE | 0 | -0.008 | -0.011 | 33.679 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 129 | GLY | 0 | 0.037 | 0.025 | 37.048 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 130 | THR | 0 | 0.002 | 0.001 | 39.199 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 131 | SER | 0 | -0.026 | -0.025 | 35.892 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 132 | PRO | 0 | 0.003 | 0.010 | 36.835 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 133 | LEU | 0 | 0.017 | -0.012 | 37.067 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 134 | ALA | 0 | -0.005 | -0.005 | 35.952 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 135 | PRO | 0 | -0.031 | -0.008 | 32.058 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 136 | ILE | 0 | -0.003 | 0.001 | 34.112 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 137 | ARG | 1 | 0.799 | 0.885 | 34.623 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 138 | LEU | 0 | -0.001 | -0.009 | 32.103 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 139 | VAL | 0 | -0.006 | -0.003 | 35.310 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 140 | ASP | -1 | -0.842 | -0.932 | 38.429 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 141 | GLU | -1 | -0.909 | -0.966 | 40.725 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 142 | ALA | 0 | 0.021 | 0.024 | 42.035 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 143 | VAL | 0 | 0.002 | 0.014 | 44.083 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 144 | VAL | 0 | -0.023 | -0.028 | 40.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 145 | ALA | 0 | 0.006 | 0.012 | 44.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 146 | ASP | -1 | -0.818 | -0.914 | 40.671 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 147 | GLU | -1 | -0.843 | -0.908 | 43.336 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 148 | SER | 0 | -0.046 | -0.047 | 45.763 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 149 | TRP | 0 | -0.023 | 0.004 | 44.681 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 150 | THR | 0 | -0.040 | -0.030 | 46.235 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 151 | TYR | 0 | 0.002 | 0.001 | 42.020 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 152 | ARG | 1 | 0.829 | 0.919 | 44.361 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 153 | LEU | 0 | -0.017 | 0.006 | 37.544 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 154 | ARG | 1 | 0.937 | 0.958 | 41.817 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 155 | ARG | 1 | 0.802 | 0.888 | 35.839 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 156 | GLY | 0 | -0.019 | -0.024 | 40.788 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 157 | GLU | -1 | -0.853 | -0.895 | 40.977 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 158 | VAL | 0 | -0.066 | -0.034 | 38.723 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 159 | THR | 0 | -0.022 | -0.017 | 39.862 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 160 | PRO | 0 | -0.019 | -0.025 | 41.870 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 161 | GLY | 0 | -0.012 | -0.002 | 41.277 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 162 | ALA | 0 | -0.064 | -0.018 | 37.513 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 163 | ASP | -1 | -0.802 | -0.873 | 36.565 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 164 | GLY | 0 | 0.015 | -0.005 | 36.058 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 165 | TRP | 0 | 0.006 | -0.009 | 34.377 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 166 | THR | 0 | -0.040 | -0.027 | 38.772 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 167 | LEU | 0 | 0.024 | 0.022 | 38.173 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 168 | SER | 0 | -0.041 | -0.038 | 41.004 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 169 | GLU | -1 | -0.814 | -0.888 | 44.449 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 170 | ALA | 0 | 0.034 | 0.002 | 46.192 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 171 | ALA | 0 | -0.015 | 0.001 | 49.630 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 172 | GLY | 0 | 0.093 | 0.047 | 52.355 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 173 | ASP | -1 | -0.796 | -0.866 | 50.463 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 174 | GLY | 0 | 0.031 | 0.005 | 51.533 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 175 | SER | 0 | -0.076 | -0.021 | 52.308 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 176 | GLU | -1 | -0.948 | -0.972 | 55.145 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 177 | PRO | 0 | -0.030 | -0.018 | 54.816 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 178 | GLY | 0 | -0.004 | 0.001 | 53.682 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 179 | TRP | 0 | -0.051 | -0.033 | 47.529 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 180 | LEU | 0 | 0.033 | 0.029 | 47.839 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 181 | SER | 0 | -0.028 | -0.008 | 44.727 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 182 | ARG | 1 | 0.863 | 0.907 | 40.538 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 183 | HIS | 0 | -0.018 | -0.033 | 36.668 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 184 | THR | 0 | -0.012 | 0.005 | 39.106 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 185 | PHE | 0 | 0.025 | 0.012 | 33.315 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 186 | VAL | 0 | 0.033 | 0.008 | 31.891 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 187 | LEU | 0 | -0.028 | -0.020 | 29.282 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 188 | GLU | -1 | -0.913 | -0.946 | 26.914 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 189 | PRO | 0 | -0.026 | -0.016 | 22.993 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 190 | GLN | 0 | -0.058 | -0.015 | 24.672 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 191 | TYR | 0 | -0.002 | -0.020 | 19.551 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 192 | PRO | 0 | 0.024 | 0.002 | 19.344 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 193 | ILE | 0 | -0.034 | -0.025 | 21.115 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 194 | ASP | -1 | -0.786 | -0.889 | 22.902 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 195 | TYR | 0 | -0.039 | -0.034 | 24.679 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 196 | ARG | 1 | 0.928 | 0.974 | 20.100 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 197 | ALA | 0 | -0.006 | 0.007 | 27.137 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 198 | ALA | 0 | -0.003 | 0.002 | 29.250 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 199 | SER | 0 | 0.034 | 0.017 | 30.178 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 200 | TYR | 0 | 0.009 | 0.026 | 31.315 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 201 | PHE | 0 | 0.006 | 0.002 | 33.016 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 202 | VAL | 0 | 0.000 | -0.011 | 34.826 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 203 | ALA | 0 | 0.025 | 0.022 | 35.004 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 204 | SER | 0 | -0.007 | -0.014 | 36.754 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 205 | SER | 0 | -0.027 | -0.003 | 38.806 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 206 | PRO | 0 | 0.016 | 0.012 | 40.627 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 207 | HIS | 0 | -0.037 | -0.020 | 42.683 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 208 | SER | 0 | -0.064 | -0.031 | 39.277 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 209 | PRO | 0 | 0.024 | 0.004 | 41.721 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 210 | PHE | 0 | -0.016 | -0.011 | 38.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 211 | SER | 0 | 0.044 | 0.028 | 40.522 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 212 | THR | 0 | -0.028 | -0.026 | 41.444 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 213 | ARG | 1 | 0.971 | 0.992 | 44.998 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 214 | ALA | 0 | 0.019 | 0.021 | 44.242 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 215 | PHE | 0 | -0.006 | 0.000 | 42.124 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 216 | VAL | 0 | -0.019 | -0.004 | 41.999 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 217 | GLN | 0 | -0.027 | -0.012 | 40.633 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 218 | GLN | 0 | 0.010 | 0.001 | 41.501 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 219 | ILE | 0 | 0.007 | 0.017 | 40.524 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 220 | SER | 0 | -0.004 | -0.002 | 42.308 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 221 | PRO | 0 | -0.001 | -0.018 | 43.535 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 222 | ASP | -1 | -0.798 | -0.879 | 45.430 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 223 | HIS | 1 | 0.832 | 0.910 | 47.585 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 224 | ALA | 0 | 0.027 | 0.020 | 46.212 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 225 | TYR | 0 | -0.017 | 0.007 | 46.349 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 226 | ILE | 0 | 0.012 | -0.004 | 45.248 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 227 | LEU | 0 | -0.030 | 0.001 | 46.438 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 228 | ASP | -1 | -0.905 | -0.961 | 46.767 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 229 | HIS | 0 | 0.019 | -0.011 | 47.873 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 230 | ARG | 1 | 0.886 | 0.931 | 49.432 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 231 | GLU | -1 | -0.887 | -0.933 | 52.071 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 232 | LEU | 0 | -0.014 | -0.008 | 50.228 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 233 | HIS | 0 | 0.030 | 0.005 | 50.305 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 234 | GLU | -1 | -0.896 | -0.953 | 50.729 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 235 | ILE | 0 | -0.024 | -0.028 | 48.241 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 236 | GLN | 0 | -0.037 | -0.014 | 51.047 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 237 | PRO | 0 | 0.017 | 0.021 | 49.022 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 238 | GLY | 0 | -0.004 | -0.010 | 51.407 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 239 | VAL | 0 | -0.094 | -0.050 | 54.112 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 240 | GLY | 0 | 0.035 | 0.018 | 54.996 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 241 | ARG | 1 | 0.793 | 0.871 | 49.142 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 242 | LYS | 1 | 0.914 | 0.974 | 55.274 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 243 | THR | 0 | 0.002 | 0.000 | 54.441 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 244 | ARG | 1 | 0.947 | 0.977 | 55.938 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 245 | GLN | 0 | -0.034 | -0.006 | 55.842 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 246 | LEU | 0 | -0.051 | -0.011 | 52.339 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 247 | THR | 0 | -0.012 | -0.022 | 56.104 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 248 | PRO | 0 | 0.033 | -0.001 | 53.757 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 249 | ALA | 0 | 0.048 | 0.014 | 53.079 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 250 | GLU | -1 | -0.861 | -0.927 | 53.909 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 251 | VAL | 0 | 0.011 | 0.021 | 49.199 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 252 | LEU | 0 | 0.024 | 0.009 | 48.318 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 253 | ALA | 0 | -0.045 | -0.010 | 49.374 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 254 | THR | 0 | 0.035 | 0.008 | 49.495 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 255 | LEU | 0 | -0.025 | -0.013 | 44.530 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 256 | ARG | 1 | 0.966 | 1.011 | 45.730 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 257 | GLU | -1 | -0.991 | -1.009 | 46.927 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 258 | ILE | 0 | -0.035 | -0.006 | 47.472 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 259 | PHE | 0 | -0.025 | -0.024 | 43.397 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 260 | GLY | 0 | 0.014 | 0.021 | 42.647 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 261 | ILE | 0 | -0.082 | -0.059 | 40.525 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 262 | GLU | -1 | -0.957 | -0.993 | 42.009 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 263 | LEU | 0 | -0.015 | -0.003 | 40.927 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 264 | GLY | 0 | 0.059 | 0.031 | 41.840 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 265 | ALA | 0 | 0.009 | -0.009 | 42.877 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 266 | ASP | -1 | -0.862 | -0.930 | 43.816 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 267 | ASP | -1 | -0.880 | -0.945 | 40.908 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 268 | SER | 0 | -0.047 | -0.030 | 44.132 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 269 | THR | 0 | -0.044 | -0.028 | 47.093 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 270 | LEU | 0 | 0.023 | 0.021 | 44.022 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 271 | LEU | 0 | 0.013 | -0.005 | 45.293 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 272 | LEU | 0 | -0.022 | -0.020 | 47.678 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 273 | GLU | -1 | -0.948 | -0.962 | 50.432 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 274 | ARG | 1 | 0.872 | 0.940 | 44.167 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 275 | LEU | 0 | -0.076 | -0.034 | 49.123 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 276 | ALA | 0 | -0.044 | -0.034 | 52.093 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 277 | GLU | -1 | -0.951 | -0.960 | 50.782 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 278 | GLN | 0 | -0.069 | -0.021 | 53.799 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |