
FMODB ID: 72N2K
Calculation Name: 1VQR-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1VQR
Chain ID: A
UniProt ID: Q0PBQ7
Base Structure: X-ray
Registration Date: 2023-06-22
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Apendix: None
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 286 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4108439.499394 |
---|---|
FMO2-HF: Nuclear repulsion | 3996341.456183 |
FMO2-HF: Total energy | -112098.043211 |
FMO2-MP2: Total energy | -112426.681766 |
3D Structure
Ligand structure

Ligand Interaction

Ligand binding energy
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:0:HIS)
Summations of interaction energy for
fragment #1(A:0:HIS)
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. |
-13.278 | -12.618 | 12.039 | -7 | -5.698 | -0.054 |
Interaction energy analysis for fragmet #1(A:0:HIS)
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 | 2 | ILE | 0 | -0.004 | -0.023 | 3.151 | -2.362 | 0.015 | 0.073 | -1.343 | -1.107 | 0.002 |
4 | A | 3 | GLY | 0 | 0.018 | -0.001 | 4.510 | 0.643 | 0.733 | -0.001 | -0.007 | -0.082 | 0.000 |
5 | A | 4 | ASP | -1 | -0.819 | -0.889 | 1.894 | -14.001 | -16.260 | 11.961 | -5.531 | -4.171 | -0.056 |
6 | A | 5 | MET | 0 | 0.027 | 0.007 | 3.719 | 0.685 | 1.120 | 0.007 | -0.119 | -0.323 | 0.000 |
7 | A | 6 | ASN | 0 | 0.012 | 0.008 | 5.385 | 0.167 | 0.184 | -0.001 | 0.000 | -0.015 | 0.000 |
8 | A | 7 | GLU | -1 | -0.737 | -0.843 | 7.920 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 8 | LEU | 0 | -0.022 | -0.007 | 5.782 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 9 | LEU | 0 | 0.003 | 0.012 | 8.929 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 10 | LEU | 0 | -0.015 | 0.005 | 11.237 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 11 | LYS | 1 | 0.840 | 0.890 | 12.340 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 12 | SER | 0 | -0.120 | -0.060 | 13.594 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 13 | VAL | 0 | 0.008 | 0.000 | 15.383 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 14 | GLU | -1 | -0.782 | -0.872 | 16.036 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 15 | VAL | 0 | -0.019 | 0.003 | 19.340 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 16 | LEU | 0 | -0.004 | -0.010 | 19.767 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 17 | PRO | 0 | 0.006 | 0.020 | 23.238 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 18 | PRO | 0 | 0.026 | 0.005 | 26.267 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 19 | LEU | 0 | 0.025 | 0.002 | 27.625 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 20 | PRO | 0 | 0.021 | -0.006 | 29.992 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 21 | ASP | -1 | -0.822 | -0.877 | 33.138 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 22 | THR | 0 | 0.011 | -0.023 | 31.690 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 23 | VAL | 0 | 0.008 | 0.012 | 33.137 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 24 | SER | 0 | -0.039 | -0.028 | 35.809 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 25 | LYS | 1 | 0.828 | 0.892 | 36.943 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 26 | LEU | 0 | 0.038 | 0.020 | 36.894 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 27 | ARG | 1 | 0.982 | 0.986 | 39.500 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 28 | LYS | 1 | 0.781 | 0.892 | 41.234 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 29 | TYR | 0 | 0.046 | 0.022 | 42.823 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 30 | VAL | 0 | 0.016 | -0.007 | 41.513 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 31 | SER | 0 | -0.076 | -0.051 | 44.603 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 32 | GLU | -1 | -0.845 | -0.905 | 47.045 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 33 | ALA | 0 | -0.014 | 0.011 | 47.696 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 34 | ASN | 0 | -0.105 | -0.051 | 48.295 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 35 | SER | 0 | 0.027 | 0.005 | 51.659 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 36 | ASN | 0 | -0.053 | -0.021 | 49.954 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 37 | ILE | 0 | 0.011 | 0.007 | 43.586 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 38 | GLU | -1 | -0.828 | -0.887 | 45.229 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 39 | THR | 0 | 0.021 | -0.013 | 42.011 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 40 | MET | 0 | 0.014 | -0.011 | 41.085 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 41 | LYS | 1 | 0.804 | 0.878 | 41.341 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 42 | VAL | 0 | 0.004 | 0.006 | 37.511 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 43 | ALA | 0 | 0.022 | 0.001 | 37.106 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 44 | GLU | -1 | -0.826 | -0.882 | 36.503 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 45 | ILE | 0 | -0.030 | -0.008 | 36.123 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 46 | ILE | 0 | -0.002 | -0.009 | 31.740 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 47 | SER | 0 | -0.047 | -0.043 | 31.963 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 48 | SER | 0 | 0.009 | -0.006 | 32.150 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 49 | ASP | -1 | -0.749 | -0.837 | 28.382 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 50 | PRO | 0 | 0.015 | 0.000 | 24.751 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 51 | LEU | 0 | -0.001 | 0.013 | 22.619 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 52 | MET | 0 | -0.010 | -0.009 | 25.165 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 53 | THR | 0 | -0.034 | -0.014 | 26.793 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 54 | ALA | 0 | 0.019 | 0.005 | 22.455 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 55 | LYS | 1 | 0.791 | 0.891 | 20.852 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 56 | LEU | 0 | 0.012 | 0.000 | 25.698 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 57 | LEU | 0 | 0.012 | 0.010 | 26.716 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 58 | GLN | 0 | 0.035 | 0.038 | 21.454 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 59 | LEU | 0 | -0.056 | -0.024 | 25.485 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 60 | ALA | 0 | 0.008 | -0.007 | 28.489 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 61 | ASN | 0 | -0.014 | -0.015 | 26.903 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 62 | SER | 0 | 0.026 | 0.022 | 27.506 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 63 | PRO | 0 | 0.008 | -0.012 | 27.250 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 64 | TYR | 0 | -0.077 | -0.026 | 30.277 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 65 | TYR | 0 | 0.014 | -0.008 | 31.915 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 66 | GLY | 0 | -0.023 | -0.001 | 33.275 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 67 | PHE | 0 | -0.017 | 0.006 | 33.006 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 68 | THR | 0 | -0.025 | -0.029 | 27.042 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 69 | ARG | 1 | 0.780 | 0.859 | 22.787 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 70 | GLU | -1 | -0.904 | -0.953 | 28.168 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 71 | ILE | 0 | -0.087 | -0.030 | 30.510 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 72 | THR | 0 | 0.000 | -0.011 | 29.396 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 73 | THR | 0 | -0.015 | -0.023 | 30.822 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 74 | ILE | 0 | 0.064 | 0.021 | 31.089 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 75 | ASN | 0 | 0.022 | 0.007 | 34.285 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 76 | GLN | 0 | 0.037 | 0.052 | 34.347 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 77 | VAL | 0 | 0.037 | 0.022 | 31.367 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 78 | ILE | 0 | -0.027 | -0.015 | 34.325 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 79 | THR | 0 | -0.076 | -0.047 | 37.454 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 80 | LEU | 0 | -0.037 | 0.003 | 33.878 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 81 | LEU | 0 | -0.004 | 0.006 | 31.839 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 82 | GLY | 0 | 0.043 | 0.040 | 36.304 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 83 | VAL | 0 | 0.008 | -0.018 | 38.090 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 84 | GLY | 0 | 0.004 | 0.009 | 38.859 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 85 | ASN | 0 | -0.003 | -0.017 | 35.039 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 86 | ILE | 0 | 0.029 | 0.024 | 34.096 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 87 | ILE | 0 | -0.012 | -0.007 | 34.919 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 88 | ASN | 0 | -0.034 | -0.025 | 36.096 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 89 | ILE | 0 | -0.009 | 0.010 | 29.875 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 90 | VAL | 0 | -0.013 | -0.019 | 31.793 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 91 | MET | 0 | -0.076 | -0.033 | 33.395 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 92 | ALA | 0 | -0.025 | 0.007 | 31.216 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 93 | ASP | -1 | -0.886 | -0.949 | 31.373 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 94 | SER | 0 | -0.050 | -0.031 | 26.013 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 95 | ILE | 0 | 0.041 | 0.020 | 27.933 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 96 | ARG | 1 | 0.905 | 0.949 | 25.469 | -0.310 | -0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 97 | ASP | -1 | -0.849 | -0.909 | 22.677 | 0.432 | 0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 98 | ASN | 0 | -0.009 | -0.018 | 21.795 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 99 | PHE | 0 | 0.041 | 0.039 | 18.753 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 100 | LYS | 1 | 0.812 | 0.890 | 20.966 | -0.570 | -0.570 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 101 | ILE | 0 | 0.002 | 0.005 | 21.833 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 102 | ASP | -1 | -0.792 | -0.872 | 22.842 | 0.467 | 0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 103 | VAL | 0 | 0.002 | -0.006 | 21.592 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 104 | SER | 0 | -0.031 | -0.030 | 23.017 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 105 | PRO | 0 | -0.011 | -0.002 | 18.867 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 106 | TYR | 0 | -0.034 | -0.059 | 16.469 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 107 | GLY | 0 | 0.036 | 0.025 | 21.701 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 108 | LEU | 0 | -0.062 | -0.012 | 23.757 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 109 | ASN | 0 | 0.021 | 0.002 | 26.730 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 110 | THR | 0 | 0.059 | 0.005 | 26.410 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 111 | GLN | 0 | 0.009 | 0.010 | 28.272 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 112 | ASN | 0 | -0.001 | -0.014 | 31.863 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 113 | PHE | 0 | 0.064 | 0.032 | 24.332 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 114 | LEU | 0 | 0.035 | 0.020 | 27.294 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 115 | LYS | 1 | 0.805 | 0.913 | 30.339 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 116 | THR | 0 | 0.042 | 0.011 | 30.907 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 117 | CYS | 0 | -0.035 | -0.010 | 28.178 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 118 | ASN | 0 | 0.059 | 0.036 | 30.765 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 119 | GLU | -1 | -0.911 | -0.949 | 34.170 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 120 | GLU | -1 | -0.758 | -0.850 | 29.218 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 121 | ALA | 0 | 0.011 | 0.002 | 32.772 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 122 | THR | 0 | -0.047 | -0.038 | 34.208 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 123 | PHE | 0 | -0.029 | -0.018 | 35.157 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 124 | ILE | 0 | 0.004 | 0.008 | 31.794 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 125 | ALA | 0 | -0.004 | 0.001 | 36.395 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 126 | ASN | 0 | -0.044 | -0.028 | 39.155 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 127 | TRP | 0 | -0.037 | -0.027 | 35.221 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 128 | LEU | 0 | 0.027 | 0.003 | 36.614 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 129 | ASN | 0 | -0.001 | -0.004 | 40.632 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 130 | ASP | -1 | -0.932 | -0.956 | 42.469 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 131 | GLU | -1 | -0.829 | -0.897 | 42.331 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 132 | ASP | -1 | -0.836 | -0.928 | 39.356 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 133 | LYS | 1 | 1.000 | 1.012 | 39.486 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 134 | LYS | 1 | 0.914 | 0.964 | 38.234 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 135 | LEU | 0 | 0.031 | 0.026 | 33.747 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 136 | SER | 0 | 0.007 | -0.013 | 34.792 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 137 | HIS | 0 | -0.041 | -0.037 | 35.110 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 138 | LEU | 0 | 0.046 | 0.033 | 29.626 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 139 | LEU | 0 | 0.005 | -0.002 | 30.190 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 140 | VAL | 0 | 0.032 | 0.025 | 30.423 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 141 | PRO | 0 | 0.016 | 0.002 | 28.716 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 142 | CYS | 0 | -0.058 | -0.018 | 26.243 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 143 | ALA | 0 | 0.036 | 0.019 | 25.571 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 144 | MET | 0 | -0.018 | 0.000 | 26.035 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 145 | LEU | 0 | 0.009 | -0.002 | 22.581 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 146 | LEU | 0 | -0.004 | -0.004 | 21.303 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 147 | ARG | 1 | 0.707 | 0.803 | 21.661 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 148 | LEU | 0 | 0.006 | 0.000 | 20.108 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 149 | GLY | 0 | 0.011 | 0.011 | 17.599 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 150 | ILE | 0 | 0.039 | 0.017 | 16.907 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 151 | VAL | 0 | -0.013 | 0.017 | 18.747 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 152 | ILE | 0 | -0.017 | -0.001 | 14.514 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 153 | PHE | 0 | 0.034 | 0.014 | 11.393 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 154 | SER | 0 | 0.008 | -0.009 | 14.939 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 155 | ASN | 0 | 0.046 | 0.035 | 16.826 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 156 | PHE | 0 | 0.012 | 0.007 | 8.848 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 157 | LEU | 0 | 0.022 | 0.008 | 12.638 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 158 | ILE | 0 | -0.022 | -0.009 | 14.622 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 159 | GLN | 0 | -0.106 | -0.062 | 15.096 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 160 | ASN | 0 | -0.108 | -0.062 | 10.946 | 0.341 | 0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 161 | HIS | 0 | -0.038 | -0.015 | 14.045 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 162 | LYS | 1 | 0.913 | 0.959 | 8.582 | -3.652 | -3.652 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 163 | ASP | -1 | -0.797 | -0.888 | 15.024 | 0.850 | 0.850 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 164 | LYS | 1 | 0.836 | 0.902 | 17.616 | -0.825 | -0.825 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 165 | ASP | -1 | -0.865 | -0.929 | 16.152 | 1.136 | 1.136 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 166 | PHE | 0 | -0.030 | -0.008 | 14.252 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 167 | LEU | 0 | -0.008 | 0.003 | 16.800 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 168 | ALA | 0 | -0.031 | -0.015 | 20.413 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 169 | PHE | 0 | -0.003 | 0.001 | 15.666 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 170 | LEU | 0 | -0.020 | -0.008 | 19.071 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 171 | ASN | 0 | -0.023 | -0.026 | 20.386 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 172 | LYS | 1 | 0.867 | 0.942 | 21.768 | -0.531 | -0.531 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 173 | ASN | 0 | -0.047 | -0.025 | 18.493 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 174 | GLU | -1 | -0.933 | -0.953 | 21.968 | 0.291 | 0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 175 | ASN | 0 | -0.005 | 0.008 | 19.108 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 176 | LEU | 0 | 0.033 | 0.007 | 18.506 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 177 | ALA | 0 | 0.039 | 0.022 | 15.561 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 178 | LEU | 0 | 0.007 | 0.011 | 14.201 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 179 | ALA | 0 | 0.059 | 0.026 | 13.757 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 180 | GLU | -1 | -0.778 | -0.844 | 12.495 | 0.816 | 0.816 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 181 | ASN | 0 | -0.055 | -0.046 | 9.690 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 182 | GLU | -1 | -0.916 | -0.942 | 8.866 | 1.770 | 1.770 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 183 | PHE | 0 | 0.002 | -0.002 | 9.285 | 0.553 | 0.553 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 184 | LEU | 0 | -0.078 | -0.042 | 7.148 | 0.680 | 0.680 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 185 | GLY | 0 | 0.018 | 0.019 | 5.467 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 186 | VAL | 0 | -0.039 | -0.016 | 6.523 | -0.778 | -0.778 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 187 | ASP | -1 | -0.761 | -0.842 | 8.889 | 0.448 | 0.448 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 188 | HIS | 1 | 0.859 | 0.879 | 12.609 | -0.535 | -0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 189 | ILE | 0 | -0.028 | -0.015 | 14.713 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 190 | SER | 0 | -0.016 | -0.041 | 12.534 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 191 | PHE | 0 | -0.026 | -0.012 | 10.996 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 192 | LEU | 0 | -0.020 | -0.004 | 12.980 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 193 | GLY | 0 | 0.038 | 0.014 | 16.622 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 194 | PHE | 0 | -0.048 | -0.018 | 11.885 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 195 | LEU | 0 | -0.017 | -0.001 | 14.891 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 196 | LEU | 0 | 0.010 | -0.002 | 16.295 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 197 | HIS | 0 | 0.037 | 0.028 | 17.962 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 198 | ARG | 1 | 0.781 | 0.863 | 12.685 | 0.305 | 0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 199 | TRP | 0 | -0.060 | -0.046 | 18.193 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 200 | ASN | 0 | -0.052 | -0.021 | 21.135 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 201 | PHE | 0 | 0.047 | 0.010 | 22.864 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 202 | ASP | -1 | -0.776 | -0.900 | 24.872 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 203 | ASP | -1 | -0.816 | -0.874 | 24.586 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 204 | VAL | 0 | -0.050 | -0.021 | 25.666 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 205 | LEU | 0 | 0.002 | 0.013 | 24.622 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 206 | ILE | 0 | 0.010 | 0.015 | 20.408 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 207 | GLU | -1 | -0.763 | -0.866 | 22.328 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 208 | SER | 0 | -0.042 | -0.037 | 24.022 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 209 | ILE | 0 | -0.003 | 0.001 | 20.515 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 210 | CYS | 0 | -0.052 | -0.028 | 19.654 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 211 | PHE | 0 | -0.001 | -0.002 | 20.990 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 212 | VAL | 0 | -0.020 | 0.003 | 22.435 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 213 | ARG | 1 | 0.803 | 0.868 | 21.906 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 214 | THR | 0 | 0.006 | 0.013 | 24.343 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 215 | PRO | 0 | 0.043 | 0.028 | 26.529 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 216 | HIS | 0 | 0.007 | 0.001 | 28.222 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 217 | ALA | 0 | -0.057 | -0.029 | 26.811 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 218 | ALA | 0 | 0.013 | 0.029 | 27.040 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 219 | ARG | 1 | 0.858 | 0.885 | 27.039 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 220 | GLU | -1 | -0.768 | -0.892 | 30.009 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 221 | LYS | 1 | 0.867 | 0.940 | 31.222 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 222 | VAL | 0 | -0.022 | -0.007 | 27.344 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 223 | LYS | 1 | 0.818 | 0.933 | 30.795 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 224 | LYS | 1 | 0.859 | 0.926 | 32.154 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 225 | SER | 0 | 0.044 | -0.004 | 29.886 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 226 | ALA | 0 | 0.030 | 0.016 | 27.925 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 227 | TYR | 0 | -0.040 | -0.061 | 29.127 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 228 | ALA | 0 | -0.010 | 0.002 | 31.975 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 229 | LEU | 0 | 0.013 | 0.025 | 25.337 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 230 | ALA | 0 | 0.040 | 0.021 | 28.358 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 231 | ILE | 0 | -0.058 | -0.020 | 29.282 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 232 | THR | 0 | -0.001 | -0.024 | 30.963 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 233 | ASP | -1 | -0.751 | -0.855 | 25.611 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 234 | HIS | 0 | -0.044 | -0.023 | 28.738 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 235 | LEU | 0 | -0.034 | -0.015 | 30.757 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 236 | PHE | 0 | -0.018 | -0.010 | 30.869 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 237 | ALA | 0 | 0.037 | 0.037 | 26.608 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 238 | PRO | 0 | -0.053 | -0.039 | 24.938 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 239 | HIS | 0 | -0.020 | -0.006 | 22.913 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 240 | ASP | -1 | -0.837 | -0.915 | 27.821 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 241 | GLY | 0 | 0.036 | 0.042 | 29.916 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 242 | SER | 0 | -0.075 | -0.079 | 31.356 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 243 | SER | 0 | -0.003 | 0.013 | 32.368 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 244 | PRO | 0 | -0.002 | -0.008 | 35.061 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 245 | PHE | 0 | 0.042 | 0.043 | 30.333 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 246 | ASN | 0 | -0.011 | -0.027 | 29.815 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 247 | ALA | 0 | -0.005 | -0.001 | 33.321 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 248 | LYS | 1 | 0.791 | 0.875 | 36.749 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 249 | ALA | 0 | 0.013 | 0.017 | 32.491 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 250 | ALA | 0 | 0.003 | 0.004 | 34.411 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 251 | VAL | 0 | -0.010 | -0.019 | 35.209 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 252 | ALA | 0 | -0.029 | -0.010 | 36.091 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 253 | LEU | 0 | 0.043 | 0.016 | 30.976 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 254 | LEU | 0 | -0.023 | 0.002 | 35.279 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 255 | LYS | 1 | 0.898 | 0.943 | 38.197 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 256 | GLU | -1 | -0.788 | -0.867 | 32.942 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 257 | ALA | 0 | 0.021 | 0.026 | 35.955 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 258 | LYS | 1 | 0.834 | 0.908 | 37.155 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 259 | THR | 0 | -0.083 | -0.054 | 38.592 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 260 | GLN | 0 | 0.004 | 0.002 | 34.698 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 261 | GLY | 0 | 0.014 | 0.015 | 39.530 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 262 | ILE | 0 | -0.040 | -0.017 | 36.142 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 263 | ASN | 0 | -0.035 | -0.016 | 39.398 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 264 | PHE | 0 | 0.052 | 0.032 | 35.743 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 265 | ASP | -1 | -0.806 | -0.902 | 41.756 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 266 | LEU | 0 | 0.007 | 0.007 | 42.956 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 267 | ASN | 0 | -0.038 | -0.033 | 44.310 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 268 | ASN | 0 | -0.010 | -0.001 | 43.476 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 269 | LEU | 0 | 0.017 | 0.017 | 38.171 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 270 | LEU | 0 | -0.002 | -0.016 | 42.101 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 271 | SER | 0 | -0.042 | -0.032 | 44.050 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 272 | LYS | 1 | 0.871 | 0.943 | 41.776 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 273 | LEU | 0 | -0.021 | 0.015 | 38.824 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 274 | PRO | 0 | 0.054 | 0.045 | 36.865 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 275 | ASN | 0 | -0.019 | -0.038 | 40.187 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 276 | LYS | 1 | 0.915 | 0.963 | 33.901 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 277 | ALA | 0 | 0.030 | 0.020 | 37.801 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 278 | LYS | 1 | 0.795 | 0.882 | 39.464 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 279 | GLU | -1 | -0.880 | -0.935 | 43.096 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 280 | ASN | 0 | -0.016 | -0.006 | 38.139 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 281 | LEU | 0 | -0.017 | 0.002 | 40.314 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 282 | ASN | 0 | -0.038 | -0.022 | 41.680 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 283 | LYS | 1 | 0.863 | 0.935 | 41.429 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 284 | GLU | -1 | -0.854 | -0.913 | 40.895 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 285 | ASP | -1 | -0.866 | -0.944 | 36.150 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |