![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: VR761
Calculation Name: 4C0D-A-Xray372
Preferred Name: CCR4-NOT transcription complex subunit 1
Target Type: SINGLE PROTEIN
Ligand Name:
ligand 3-letter code:
PDB ID: 4C0D
Chain ID: A
ChEMBL ID: CHEMBL4105919
UniProt ID: A5YKK6
Base Structure: X-ray
Registration Date: 2023-06-20
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 | 512 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -10227892.714227 |
---|---|
FMO2-HF: Nuclear repulsion | 10020874.962018 |
FMO2-HF: Total energy | -207017.75221 |
FMO2-MP2: Total energy | -207621.26318 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F023009/ligand_interaction/ligand_F023009.png)
Ligand Interaction
![ligand interaction](./Kdata/F023009/ligand_interaction/ligand_interaction_F023009.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:1842:TYR)
Summations of interaction energy for
fragment #1(A:1842:TYR)
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. |
-1.337 | 0.259 | 0.007 | -0.492 | -1.11 | 0.003 |
Interaction energy analysis for fragmet #1(A:1842:TYR)
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 | 1844 | ASP | -1 | -0.762 | -0.896 | 3.803 | -1.714 | -0.278 | 0.008 | -0.483 | -0.961 | 0.003 |
4 | A | 1845 | PRO | 0 | -0.024 | -0.012 | 4.685 | 2.003 | 2.163 | -0.001 | -0.009 | -0.149 | 0.000 |
5 | A | 1846 | PRO | 0 | 0.047 | 0.012 | 6.345 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 1847 | GLY | 0 | 0.023 | 0.011 | 8.150 | -0.391 | -0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 1848 | LEU | 0 | -0.030 | -0.014 | 9.794 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 1849 | ARG | 1 | 1.028 | 1.001 | 10.249 | -0.989 | -0.989 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 1850 | GLU | -1 | -0.848 | -0.926 | 12.027 | 0.946 | 0.946 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 1851 | LYS | 1 | 0.912 | 0.970 | 14.004 | -0.654 | -0.654 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 1852 | ALA | 0 | 0.012 | 0.000 | 14.696 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 1853 | GLU | -1 | -0.906 | -0.963 | 16.068 | 0.394 | 0.394 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 1854 | TYR | 0 | -0.079 | -0.040 | 17.883 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 1855 | LEU | 0 | 0.008 | 0.004 | 19.246 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 1856 | LEU | 0 | 0.028 | 0.014 | 19.753 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 1857 | ARG | 1 | 0.962 | 0.974 | 21.579 | -0.303 | -0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 1858 | GLU | -1 | -0.911 | -0.965 | 23.762 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 1859 | TRP | 0 | -0.030 | -0.012 | 25.041 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 1860 | VAL | 0 | -0.037 | -0.020 | 24.972 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 1861 | ASN | 0 | -0.046 | -0.026 | 27.708 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 1862 | LEU | 0 | -0.021 | -0.016 | 29.020 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 1863 | TYR | 0 | -0.039 | -0.018 | 30.531 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 1864 | HIS | 0 | -0.054 | -0.025 | 30.367 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 1865 | SER | 0 | -0.012 | 0.013 | 34.139 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 1866 | ALA | 0 | 0.003 | 0.005 | 35.804 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 1867 | ALA | 0 | -0.017 | -0.014 | 36.646 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 1868 | ALA | 0 | 0.050 | 0.021 | 38.695 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 1869 | GLY | 0 | 0.034 | 0.024 | 39.263 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 1870 | ARG | 1 | 0.978 | 0.972 | 39.266 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 1871 | ASP | -1 | -0.728 | -0.822 | 38.905 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 1872 | SER | 0 | 0.015 | -0.001 | 35.573 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 1873 | THR | 0 | -0.134 | -0.095 | 34.716 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 1874 | LYS | 1 | 0.899 | 0.946 | 35.227 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 1875 | ALA | 0 | 0.062 | 0.043 | 32.712 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 1876 | PHE | 0 | 0.016 | 0.012 | 28.781 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 1877 | SER | 0 | -0.054 | -0.038 | 30.310 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 1878 | ALA | 0 | 0.024 | 0.005 | 30.829 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 1879 | PHE | 0 | 0.000 | 0.004 | 23.377 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 1880 | VAL | 0 | 0.036 | 0.010 | 26.061 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 1881 | GLY | 0 | 0.008 | 0.014 | 26.065 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 1882 | GLN | 0 | 0.049 | 0.018 | 23.962 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 1883 | MET | 0 | 0.010 | 0.015 | 21.319 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 1884 | HIS | 0 | -0.069 | -0.048 | 21.426 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 1885 | GLN | 0 | -0.038 | -0.019 | 22.215 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 1886 | GLN | 0 | -0.041 | -0.011 | 18.990 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 1887 | GLY | 0 | -0.059 | -0.032 | 17.988 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 1888 | ILE | 0 | -0.001 | -0.001 | 16.057 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 1889 | LEU | 0 | -0.023 | -0.024 | 17.316 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 1890 | LYS | 1 | 0.938 | 0.986 | 17.057 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 1891 | THR | 0 | 0.018 | 0.008 | 14.409 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 1892 | ASP | -1 | -0.816 | -0.913 | 17.052 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 1893 | ASP | -1 | -0.923 | -0.967 | 10.718 | -0.437 | -0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 1894 | LEU | 0 | 0.051 | 0.006 | 11.465 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 1895 | ILE | 0 | 0.023 | 0.028 | 13.823 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 1896 | THR | 0 | -0.028 | -0.029 | 12.971 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 1897 | ARG | 1 | 0.829 | 0.926 | 6.585 | 0.496 | 0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 1898 | PHE | 0 | 0.027 | 0.023 | 12.571 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 1899 | PHE | 0 | 0.034 | 0.003 | 15.453 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 1900 | ARG | 1 | 0.841 | 0.927 | 8.830 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 1901 | LEU | 0 | 0.022 | 0.025 | 10.181 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 1902 | CYS | 0 | -0.049 | -0.020 | 14.064 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 1903 | THR | 0 | -0.004 | -0.029 | 16.262 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 1904 | GLU | -1 | -0.820 | -0.902 | 10.860 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 1905 | MET | 0 | -0.036 | 0.006 | 15.236 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 1906 | CYS | 0 | -0.064 | -0.034 | 17.591 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 1907 | VAL | 0 | 0.014 | 0.008 | 16.734 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 1908 | GLU | -1 | -0.886 | -0.954 | 14.713 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 1909 | ILE | 0 | -0.094 | -0.038 | 18.124 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 1910 | SER | 0 | -0.031 | -0.034 | 21.601 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 1911 | TYR | 0 | 0.013 | -0.001 | 18.043 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 1912 | ARG | 1 | 0.921 | 0.966 | 17.596 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 1913 | ALA | 0 | 0.005 | 0.014 | 22.840 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 1914 | GLN | 0 | -0.022 | -0.018 | 24.476 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 1915 | ALA | 0 | 0.018 | 0.010 | 23.382 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 1916 | GLU | -1 | -0.944 | -0.974 | 25.492 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 1917 | GLN | 0 | -0.040 | -0.029 | 28.136 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 1918 | GLN | 0 | -0.053 | -0.032 | 27.683 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 1919 | HIS | 0 | -0.040 | -0.013 | 25.945 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 1920 | ASN | 0 | -0.016 | 0.002 | 30.475 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 1921 | PRO | 0 | 0.037 | 0.016 | 33.448 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 1922 | ALA | 0 | -0.035 | -0.012 | 35.273 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 1923 | ALA | 0 | -0.010 | 0.013 | 34.145 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 1924 | ASN | 0 | 0.041 | 0.003 | 36.272 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 1925 | PRO | 0 | 0.078 | 0.025 | 34.026 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 1926 | THR | 0 | -0.046 | -0.020 | 33.920 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 1927 | MET | 0 | 0.003 | 0.004 | 32.621 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 1928 | ILE | 0 | 0.075 | 0.037 | 29.437 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 1929 | ARG | 1 | 0.963 | 0.974 | 29.758 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 1930 | ALA | 0 | -0.004 | 0.006 | 30.831 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 1931 | LYS | 1 | 0.969 | 0.996 | 28.217 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 1932 | CYS | 0 | -0.004 | 0.004 | 26.319 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 1933 | TYR | 0 | -0.041 | -0.041 | 27.298 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 1934 | HIS | 0 | 0.046 | 0.046 | 29.397 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 1935 | ASN | 0 | -0.002 | -0.016 | 24.608 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 1936 | LEU | 0 | -0.023 | 0.004 | 23.056 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 1937 | ASP | -1 | -0.794 | -0.878 | 26.198 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 1938 | ALA | 0 | 0.012 | 0.015 | 27.118 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 1939 | PHE | 0 | 0.014 | -0.003 | 20.140 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 1940 | VAL | 0 | 0.029 | 0.019 | 25.452 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 1941 | ARG | 1 | 0.900 | 0.962 | 27.215 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 1942 | LEU | 0 | -0.014 | -0.007 | 23.448 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 1943 | ILE | 0 | 0.019 | 0.006 | 22.659 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 1944 | ALA | 0 | 0.006 | 0.004 | 26.238 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 1945 | LEU | 0 | -0.065 | -0.032 | 29.762 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 1946 | LEU | 0 | 0.027 | 0.012 | 23.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 1947 | VAL | 0 | -0.016 | -0.006 | 27.005 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 1948 | LYS | 1 | 0.893 | 0.954 | 28.995 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 1949 | HIS | 0 | -0.077 | -0.030 | 31.558 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 1950 | SER | 0 | -0.001 | 0.017 | 27.609 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 1951 | GLY | 0 | 0.014 | 0.010 | 30.188 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 1952 | GLU | -1 | -0.883 | -0.944 | 31.996 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 1953 | ALA | 0 | -0.020 | -0.020 | 35.479 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 1954 | THR | 0 | -0.001 | -0.007 | 37.807 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 1955 | ASN | 0 | 0.009 | 0.013 | 33.024 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 1956 | THR | 0 | 0.046 | 0.018 | 33.292 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 1957 | VAL | 0 | 0.022 | 0.007 | 29.577 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 1958 | THR | 0 | 0.017 | 0.007 | 28.122 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 1959 | LYS | 1 | 0.862 | 0.932 | 27.460 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 1960 | ILE | 0 | 0.027 | 0.013 | 28.109 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 1961 | ASN | 0 | 0.001 | 0.004 | 24.775 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 1962 | LEU | 0 | -0.003 | 0.006 | 22.589 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 1963 | LEU | 0 | 0.021 | 0.016 | 23.516 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 1964 | ASN | 0 | -0.018 | -0.044 | 23.690 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 1965 | LYS | 1 | 0.857 | 0.960 | 16.920 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 1966 | VAL | 0 | 0.012 | -0.003 | 19.264 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 1967 | LEU | 0 | -0.011 | -0.001 | 19.848 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 1968 | GLY | 0 | 0.039 | 0.021 | 19.032 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 1969 | ILE | 0 | -0.055 | -0.016 | 14.716 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 1970 | VAL | 0 | -0.013 | -0.006 | 15.661 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 1971 | VAL | 0 | 0.003 | -0.001 | 17.747 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 1972 | GLY | 0 | 0.000 | 0.004 | 14.143 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 1973 | VAL | 0 | -0.004 | -0.010 | 13.032 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 1974 | LEU | 0 | -0.021 | -0.002 | 14.115 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 1975 | LEU | 0 | -0.035 | -0.032 | 14.962 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 1976 | GLN | 0 | 0.031 | 0.028 | 8.129 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 1977 | ASP | -1 | -0.786 | -0.910 | 12.068 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 1978 | HIS | 0 | -0.007 | -0.019 | 13.893 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 1979 | ASP | -1 | -0.966 | -0.984 | 12.155 | -0.610 | -0.610 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 1980 | VAL | 0 | -0.033 | 0.001 | 10.066 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 1981 | ARG | 1 | 0.912 | 0.964 | 12.660 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 1982 | GLN | 0 | 0.000 | 0.006 | 15.896 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 1983 | SER | 0 | -0.025 | -0.015 | 18.420 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 1984 | GLU | -1 | -0.982 | -0.992 | 18.424 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 1985 | PHE | 0 | -0.046 | -0.013 | 17.838 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 1986 | GLN | 0 | -0.005 | -0.003 | 19.934 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 1987 | GLN | 0 | 0.066 | 0.023 | 21.401 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 1988 | LEU | 0 | -0.054 | -0.026 | 23.823 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 1989 | PRO | 0 | 0.057 | 0.022 | 20.838 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 1990 | TYR | 0 | 0.067 | 0.013 | 16.587 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 1991 | HIS | 0 | -0.034 | -0.011 | 22.715 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 1992 | ARG | 1 | 0.844 | 0.913 | 26.349 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 1993 | ILE | 0 | 0.030 | 0.005 | 21.689 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 1994 | PHE | 0 | 0.020 | 0.003 | 21.741 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 1995 | ILE | 0 | 0.003 | -0.001 | 26.830 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 1996 | MET | 0 | -0.006 | -0.001 | 29.442 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 1997 | LEU | 0 | 0.028 | 0.017 | 25.602 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 1998 | LEU | 0 | -0.032 | -0.012 | 29.418 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 1999 | LEU | 0 | -0.065 | -0.051 | 31.698 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 2000 | GLU | -1 | -0.894 | -0.948 | 31.623 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 2001 | LEU | 0 | -0.029 | -0.024 | 29.317 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 2002 | ASN | 0 | -0.048 | -0.014 | 33.706 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 2003 | ALA | 0 | 0.008 | 0.003 | 36.899 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 2004 | PRO | 0 | -0.003 | 0.002 | 38.874 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 2005 | GLU | -1 | -0.871 | -0.948 | 37.600 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 2006 | HIS | 0 | 0.062 | 0.016 | 40.721 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 2007 | VAL | 0 | 0.023 | 0.007 | 36.052 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 2008 | LEU | 0 | -0.022 | -0.006 | 34.587 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 2009 | GLU | -1 | -0.957 | -0.964 | 37.256 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 2010 | THR | 0 | -0.099 | -0.052 | 38.653 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 2011 | ILE | 0 | 0.017 | 0.009 | 32.689 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 2012 | ASN | 0 | 0.047 | 0.039 | 34.737 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 2013 | PHE | 0 | 0.044 | 0.013 | 35.485 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 2014 | GLN | 0 | 0.046 | 0.018 | 31.919 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 2015 | THR | 0 | -0.004 | 0.002 | 30.939 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 2016 | LEU | 0 | 0.004 | -0.003 | 30.845 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 2017 | THR | 0 | -0.013 | -0.020 | 30.299 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 2018 | ALA | 0 | 0.002 | 0.014 | 26.854 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 2019 | PHE | 0 | -0.009 | -0.012 | 26.921 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 2020 | CYS | 0 | -0.013 | -0.001 | 28.343 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 2021 | ASN | 0 | 0.007 | -0.006 | 26.021 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 2022 | THR | 0 | -0.004 | -0.002 | 23.273 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 2023 | PHE | 0 | 0.020 | -0.003 | 24.423 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 2024 | HIS | 0 | -0.052 | -0.005 | 26.663 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 2025 | ILE | 0 | -0.023 | -0.024 | 20.291 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 2026 | LEU | 0 | -0.046 | -0.005 | 20.483 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 2027 | ARG | 1 | 0.933 | 0.989 | 23.549 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 2028 | PRO | 0 | 0.077 | 0.051 | 24.635 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 2029 | THR | 0 | -0.003 | -0.023 | 25.957 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 2030 | LYS | 1 | 0.829 | 0.920 | 21.447 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 2031 | ALA | 0 | 0.042 | 0.024 | 20.835 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 2032 | PRO | 0 | 0.020 | 0.018 | 21.998 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 2033 | GLY | 0 | 0.018 | 0.014 | 22.969 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 2034 | PHE | 0 | 0.002 | 0.002 | 22.675 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 2035 | VAL | 0 | -0.006 | 0.001 | 24.687 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 2036 | TYR | 0 | 0.005 | -0.010 | 28.052 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 2037 | ALA | 0 | 0.064 | 0.025 | 27.127 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 2038 | TRP | 0 | -0.006 | -0.016 | 26.781 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 2039 | LEU | 0 | 0.022 | 0.005 | 28.936 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 2040 | GLU | -1 | -0.963 | -0.971 | 32.022 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 2041 | LEU | 0 | -0.067 | -0.027 | 27.215 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 2042 | ILE | 0 | -0.012 | 0.015 | 31.771 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 2043 | SER | 0 | -0.082 | -0.072 | 34.079 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 2044 | HIS | 0 | 0.058 | 0.033 | 35.009 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 2045 | ARG | 1 | 1.011 | 0.988 | 37.068 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 2046 | ILE | 0 | -0.023 | -0.005 | 36.757 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 2047 | PHE | 0 | 0.042 | 0.018 | 32.983 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 2048 | ILE | 0 | 0.030 | 0.021 | 36.969 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 2049 | ALA | 0 | -0.007 | 0.007 | 39.809 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 2050 | ARG | 1 | 0.909 | 0.962 | 38.030 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 2051 | MET | 0 | -0.010 | 0.042 | 35.979 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 2052 | LEU | 0 | -0.055 | -0.028 | 39.291 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 2053 | ALA | 0 | -0.008 | 0.005 | 42.677 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 2054 | HIS | 0 | -0.041 | -0.034 | 42.515 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 2055 | THR | 0 | -0.033 | -0.036 | 40.245 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 2056 | PRO | 0 | 0.028 | 0.028 | 42.679 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 2057 | GLN | 0 | 0.002 | -0.043 | 44.285 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 2058 | GLN | 0 | 0.025 | 0.032 | 44.300 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 2059 | LYS | 1 | 0.948 | 0.973 | 40.358 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 2060 | GLY | 0 | 0.040 | 0.022 | 38.264 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 2061 | TRP | 0 | -0.013 | -0.009 | 38.388 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 2062 | PRO | 0 | 0.031 | 0.021 | 37.828 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 2063 | MET | 0 | 0.016 | 0.014 | 32.229 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 2064 | TYR | 0 | 0.037 | 0.018 | 34.687 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 2065 | ALA | 0 | 0.012 | 0.010 | 36.663 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 2066 | GLN | 0 | -0.017 | -0.016 | 31.899 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 2067 | LEU | 0 | 0.019 | 0.005 | 30.925 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 2068 | LEU | 0 | 0.006 | -0.002 | 33.429 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 2069 | ILE | 0 | -0.019 | 0.003 | 34.759 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 2070 | ASP | -1 | -0.841 | -0.920 | 30.406 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 2071 | LEU | 0 | -0.009 | -0.008 | 32.206 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 2072 | PHE | 0 | -0.006 | -0.014 | 33.587 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 2073 | LYS | 1 | 0.963 | 0.980 | 32.483 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 2074 | TYR | 0 | -0.029 | -0.013 | 28.066 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 2075 | LEU | 0 | 0.004 | -0.013 | 32.039 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 2076 | ALA | 0 | 0.022 | 0.016 | 35.272 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 2077 | PRO | 0 | -0.057 | -0.029 | 32.882 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 2078 | PHE | 0 | 0.016 | 0.001 | 30.548 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 2079 | LEU | 0 | -0.029 | -0.013 | 36.669 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 2080 | ARG | 1 | 0.945 | 0.988 | 36.774 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 2081 | ASN | 0 | -0.075 | -0.044 | 37.777 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 2082 | VAL | 0 | 0.041 | 0.026 | 41.098 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 2083 | GLU | -1 | -0.927 | -0.948 | 41.007 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 2084 | LEU | 0 | 0.039 | 0.020 | 38.451 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 2085 | THR | 0 | 0.045 | 0.024 | 34.890 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 2086 | LYS | 1 | 0.992 | 0.973 | 37.840 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 2087 | PRO | 0 | 0.048 | 0.020 | 32.815 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 2088 | MET | 0 | 0.055 | 0.035 | 33.872 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 2089 | GLN | 0 | -0.065 | -0.034 | 36.150 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 2090 | ILE | 0 | 0.011 | 0.004 | 36.572 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 2091 | LEU | 0 | 0.032 | 0.025 | 32.530 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 2092 | TYR | 0 | 0.028 | 0.018 | 36.272 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 2093 | LYS | 1 | 0.931 | 0.959 | 39.344 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 2094 | GLY | 0 | 0.008 | 0.007 | 38.425 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 2095 | THR | 0 | 0.025 | -0.011 | 37.601 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 2096 | LEU | 0 | -0.019 | -0.011 | 39.540 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 2097 | ARG | 1 | 0.936 | 0.974 | 42.001 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 2098 | VAL | 0 | 0.032 | 0.027 | 38.475 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 2099 | LEU | 0 | 0.014 | -0.003 | 41.404 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 2100 | LEU | 0 | -0.014 | -0.004 | 43.523 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 2101 | VAL | 0 | -0.020 | -0.001 | 43.840 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 2102 | LEU | 0 | -0.007 | -0.011 | 40.667 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 2103 | LEU | 0 | -0.036 | -0.011 | 45.257 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 2104 | HIS | 0 | -0.112 | -0.060 | 48.443 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 2105 | ASP | -1 | -0.885 | -0.926 | 47.245 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 2106 | PHE | 0 | -0.065 | -0.050 | 45.015 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 2107 | PRO | 0 | 0.036 | 0.032 | 47.528 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 2108 | GLU | -1 | -0.765 | -0.930 | 49.713 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 2109 | PHE | 0 | -0.013 | 0.015 | 40.141 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 2110 | LEU | 0 | -0.001 | -0.008 | 43.901 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 2111 | CYS | 0 | -0.080 | -0.022 | 46.423 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 2112 | ASP | -1 | -0.887 | -0.976 | 46.683 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 2113 | TYR | 0 | -0.014 | -0.013 | 41.349 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 2114 | HIS | 0 | 0.010 | 0.004 | 43.835 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 2115 | TYR | 0 | 0.022 | 0.007 | 44.356 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 2116 | GLY | 0 | 0.086 | 0.037 | 41.482 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 2117 | PHE | 0 | -0.007 | -0.007 | 39.304 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 2118 | CYS | 0 | -0.077 | -0.044 | 42.010 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 2119 | ASP | -1 | -0.863 | -0.925 | 41.555 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 2120 | VAL | 0 | -0.081 | -0.031 | 36.736 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 2121 | ILE | 0 | -0.061 | -0.036 | 39.532 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 2122 | PRO | 0 | -0.021 | -0.005 | 39.995 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 2123 | PRO | 0 | 0.016 | -0.011 | 42.827 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 2124 | ASN | 0 | 0.058 | 0.032 | 43.922 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 2125 | CYS | 0 | -0.037 | 0.000 | 43.193 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 2126 | ILE | 0 | 0.019 | 0.008 | 45.934 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 2127 | GLN | 0 | 0.046 | 0.013 | 47.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 2128 | LEU | 0 | 0.027 | 0.017 | 41.595 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 2129 | ARG | 1 | 0.958 | 0.991 | 45.778 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 2130 | ASN | 0 | 0.024 | 0.023 | 47.754 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 2131 | LEU | 0 | -0.050 | -0.001 | 45.652 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 2132 | ILE | 0 | -0.021 | -0.010 | 43.635 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 2133 | LEU | 0 | -0.043 | -0.023 | 47.970 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 2134 | SER | 0 | -0.051 | -0.050 | 51.303 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 2135 | ALA | 0 | -0.011 | 0.012 | 49.784 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 2136 | PHE | 0 | -0.075 | -0.051 | 51.898 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 2137 | PRO | 0 | 0.028 | 0.003 | 54.291 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 2138 | ARG | 1 | 0.952 | 0.989 | 51.795 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 2139 | ASN | 0 | -0.018 | -0.010 | 56.742 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 2140 | MET | 0 | -0.012 | 0.015 | 59.111 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 2141 | ARG | 1 | 0.965 | 0.981 | 60.781 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 2142 | LEU | 0 | -0.047 | -0.021 | 59.084 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 2143 | PRO | 0 | 0.036 | 0.018 | 63.541 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 2144 | ASP | -1 | -0.780 | -0.917 | 65.912 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 2145 | PRO | 0 | -0.051 | -0.017 | 64.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 2146 | PHE | 0 | -0.054 | -0.024 | 65.186 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 2147 | THR | 0 | -0.053 | -0.026 | 69.245 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 2148 | PRO | 0 | -0.012 | 0.005 | 69.368 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 2149 | ASN | 0 | -0.011 | -0.009 | 71.875 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 2150 | LEU | 0 | 0.007 | -0.002 | 73.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 2151 | LYS | 1 | 0.896 | 0.955 | 68.976 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 2152 | VAL | 0 | 0.010 | -0.016 | 70.520 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 2153 | ASP | -1 | -0.857 | -0.920 | 70.102 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 2154 | MET | 0 | 0.002 | 0.011 | 65.698 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 2155 | LEU | 0 | -0.003 | 0.007 | 66.689 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 2156 | SER | 0 | -0.001 | -0.006 | 66.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 2157 | GLU | -1 | -0.908 | -0.967 | 60.754 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 2158 | ILE | 0 | -0.065 | -0.034 | 62.607 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 2159 | ASN | 0 | -0.031 | -0.032 | 63.252 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 2160 | ILE | 0 | -0.004 | 0.029 | 59.047 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 2161 | ALA | 0 | 0.011 | 0.000 | 57.138 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 2162 | PRO | 0 | -0.071 | -0.032 | 53.930 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 2163 | ARG | 1 | 0.933 | 0.974 | 50.112 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 2164 | ILE | 0 | -0.025 | -0.011 | 47.201 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 2165 | LEU | 0 | -0.011 | 0.014 | 44.318 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 2166 | THR | 0 | -0.027 | -0.020 | 41.598 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 2167 | ASN | 0 | 0.029 | 0.002 | 41.998 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 2168 | PHE | 0 | 0.081 | 0.032 | 43.017 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 2169 | THR | 0 | -0.048 | -0.027 | 45.375 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 2170 | GLY | 0 | -0.006 | -0.005 | 42.761 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 2171 | VAL | 0 | -0.001 | 0.011 | 41.485 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 2172 | MET | 0 | -0.062 | -0.015 | 42.728 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 2173 | PRO | 0 | 0.049 | 0.027 | 43.728 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 2174 | PRO | 0 | 0.039 | 0.010 | 43.700 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 2175 | GLN | 0 | -0.012 | -0.006 | 46.827 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 2176 | PHE | 0 | 0.059 | 0.032 | 48.197 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 2177 | LYS | 1 | 0.910 | 0.947 | 48.554 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 2178 | LYS | 1 | 0.946 | 0.984 | 50.676 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 2179 | ASP | -1 | -0.872 | -0.948 | 52.831 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 2180 | LEU | 0 | 0.000 | 0.005 | 52.406 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 2181 | ASP | -1 | -0.767 | -0.830 | 53.702 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 2182 | SER | 0 | -0.052 | -0.025 | 56.515 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 2183 | TYR | 0 | -0.006 | 0.005 | 58.353 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 2184 | LEU | 0 | -0.010 | -0.012 | 56.776 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 2185 | LYS | 1 | 0.894 | 0.970 | 60.117 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 2186 | THR | 0 | -0.076 | -0.059 | 62.524 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 2187 | ARG | 1 | 0.828 | 0.912 | 63.472 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 2188 | SER | 0 | -0.037 | 0.008 | 63.365 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 2189 | PRO | 0 | 0.037 | 0.016 | 60.664 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 2190 | VAL | 0 | 0.072 | 0.001 | 62.466 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 2191 | THR | 0 | 0.007 | -0.007 | 60.191 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 2192 | PHE | 0 | 0.048 | 0.030 | 54.668 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 2193 | LEU | 0 | -0.004 | 0.008 | 57.074 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 2194 | SER | 0 | 0.008 | -0.014 | 57.011 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 2195 | ASP | -1 | -0.837 | -0.912 | 54.748 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 2196 | LEU | 0 | -0.038 | 0.014 | 53.079 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 2197 | ARG | 1 | 0.879 | 0.941 | 52.163 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 2198 | SER | 0 | -0.060 | -0.041 | 51.744 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 2199 | ASN | 0 | -0.004 | -0.010 | 48.914 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 2200 | LEU | 0 | -0.058 | -0.023 | 47.596 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 2201 | GLN | 0 | -0.055 | -0.031 | 46.913 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 2202 | VAL | 0 | -0.011 | -0.011 | 42.437 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 2203 | SER | 0 | 0.017 | 0.022 | 42.826 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 2204 | ASN | 0 | -0.047 | -0.031 | 38.148 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 2205 | GLU | -1 | -0.923 | -0.953 | 36.615 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 2206 | PRO | 0 | 0.020 | 0.014 | 36.182 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 2207 | GLY | 0 | -0.025 | -0.016 | 38.067 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 2208 | ASN | 0 | -0.067 | -0.046 | 39.653 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 2209 | ARG | 1 | 0.924 | 0.954 | 41.294 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 2210 | TYR | 0 | -0.074 | -0.092 | 44.322 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 2211 | ASN | 0 | 0.014 | 0.021 | 41.798 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 2212 | LEU | 0 | 0.061 | 0.001 | 43.021 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 2213 | GLN | 0 | 0.011 | 0.023 | 38.282 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 2214 | LEU | 0 | -0.017 | 0.004 | 43.623 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 2215 | ILE | 0 | 0.021 | 0.015 | 45.773 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 2216 | ASN | 0 | -0.015 | -0.024 | 45.084 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 2217 | ALA | 0 | -0.047 | -0.012 | 46.042 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 2218 | LEU | 0 | 0.007 | 0.013 | 48.107 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 2219 | VAL | 0 | 0.006 | -0.001 | 51.139 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 2220 | LEU | 0 | -0.016 | -0.001 | 49.147 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 2221 | TYR | 0 | -0.081 | -0.108 | 50.915 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 2222 | VAL | 0 | 0.023 | 0.016 | 52.824 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 2223 | GLY | 0 | 0.036 | 0.014 | 55.752 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 2224 | THR | 0 | -0.074 | -0.050 | 53.757 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 2225 | GLN | 0 | -0.002 | -0.001 | 55.452 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 2226 | ALA | 0 | 0.023 | 0.021 | 58.139 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 2227 | ILE | 0 | -0.044 | -0.024 | 58.966 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 2228 | ALA | 0 | -0.013 | -0.004 | 59.512 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 2229 | HIS | 0 | -0.020 | -0.004 | 61.568 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 2230 | ILE | 0 | -0.030 | -0.018 | 63.963 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 2231 | HIS | 0 | 0.040 | -0.001 | 63.006 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 2232 | ASN | 0 | -0.043 | -0.023 | 62.560 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 2233 | LYS | 1 | 0.905 | 0.975 | 66.783 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 2234 | GLY | 0 | 0.020 | 0.017 | 69.674 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 2235 | SER | 0 | -0.082 | -0.031 | 70.252 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 2236 | THR | 0 | 0.061 | 0.023 | 68.167 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 2237 | PRO | 0 | -0.005 | -0.008 | 64.335 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 2238 | SER | 0 | -0.011 | -0.014 | 67.236 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 2239 | MET | 0 | 0.040 | 0.000 | 68.020 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 2240 | SER | 0 | 0.024 | 0.019 | 70.372 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 2241 | THR | 0 | -0.045 | -0.012 | 69.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 2242 | ILE | 0 | -0.009 | -0.005 | 65.056 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 2243 | THR | 0 | -0.009 | 0.013 | 66.265 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 2244 | HIS | 0 | -0.018 | -0.008 | 68.804 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 2245 | SER | 0 | 0.009 | 0.003 | 65.360 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 2246 | ALA | 0 | 0.061 | 0.030 | 62.647 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 2247 | HIS | 0 | 0.029 | 0.000 | 59.476 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 2248 | MET | 0 | -0.019 | 0.012 | 60.765 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 2249 | ASP | -1 | -0.795 | -0.881 | 62.983 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 2250 | ILE | 0 | 0.010 | 0.006 | 56.462 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 2251 | PHE | 0 | -0.010 | -0.017 | 56.412 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 2252 | GLN | 0 | 0.058 | 0.015 | 59.803 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 2253 | ASN | 0 | 0.008 | 0.000 | 58.874 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 2254 | LEU | 0 | 0.008 | 0.000 | 54.384 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 2255 | ALA | 0 | -0.036 | -0.006 | 57.498 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 2256 | VAL | 0 | -0.061 | -0.054 | 59.864 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 2257 | ASP | -1 | -0.946 | -0.971 | 59.265 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 2258 | LEU | 0 | -0.023 | 0.003 | 53.580 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 2259 | ASP | -1 | -0.754 | -0.828 | 52.422 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 2260 | THR | 0 | 0.009 | -0.026 | 54.670 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 2261 | GLU | -1 | -0.813 | -0.885 | 46.835 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 2262 | GLY | 0 | 0.070 | 0.034 | 50.968 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 2263 | ARG | 1 | 0.923 | 0.963 | 51.974 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 2264 | TYR | 0 | 0.047 | 0.032 | 48.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 2265 | LEU | 0 | -0.022 | -0.001 | 46.741 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 2266 | PHE | 0 | 0.009 | 0.023 | 50.331 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 2267 | LEU | 0 | 0.060 | 0.023 | 53.035 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 2268 | ASN | 0 | -0.051 | -0.051 | 50.242 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 2269 | ALA | 0 | -0.002 | 0.010 | 50.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 2270 | ILE | 0 | -0.032 | -0.017 | 51.432 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 2271 | ALA | 0 | 0.030 | 0.000 | 54.260 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 2272 | ASN | 0 | -0.024 | -0.011 | 48.270 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 2273 | GLN | 0 | -0.029 | -0.012 | 50.585 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 2274 | LEU | 0 | -0.037 | 0.008 | 54.386 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 2275 | ARG | 1 | 0.938 | 0.972 | 50.938 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 2276 | TYR | 0 | 0.061 | 0.037 | 53.984 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 2277 | PRO | 0 | 0.002 | -0.017 | 58.372 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 2278 | ASN | 0 | 0.050 | 0.049 | 56.881 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 2279 | SER | 0 | 0.089 | 0.034 | 58.882 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 2280 | HIS | 0 | 0.016 | 0.001 | 53.975 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 2281 | THR | 0 | -0.009 | 0.000 | 58.205 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 2282 | HIS | 0 | 0.042 | 0.033 | 59.271 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 2283 | TYR | 0 | 0.043 | 0.026 | 59.451 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 2284 | PHE | 0 | 0.019 | 0.003 | 55.593 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 2285 | SER | 0 | -0.005 | -0.004 | 60.037 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 2286 | CYS | 0 | -0.040 | -0.036 | 62.419 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 2287 | THR | 0 | -0.014 | -0.023 | 60.298 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 2288 | MET | 0 | -0.023 | 0.001 | 57.425 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 2289 | LEU | 0 | -0.012 | -0.011 | 62.136 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 2290 | TYR | 0 | 0.000 | 0.001 | 65.767 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 2291 | LEU | 0 | -0.021 | -0.011 | 60.456 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 2292 | PHE | 0 | -0.035 | -0.018 | 64.633 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 2293 | ALA | 0 | -0.010 | -0.009 | 66.023 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 2294 | GLU | -1 | -0.951 | -0.959 | 68.762 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 2295 | ALA | 0 | -0.054 | -0.019 | 66.051 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 2296 | ASN | 0 | -0.037 | -0.016 | 66.603 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 2297 | THR | 0 | 0.023 | 0.012 | 64.207 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 2298 | GLU | -1 | -0.773 | -0.883 | 66.777 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 2299 | ALA | 0 | 0.030 | 0.006 | 62.047 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 2300 | ILE | 0 | -0.010 | -0.015 | 61.247 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 2301 | GLN | 0 | 0.037 | 0.009 | 61.847 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 2302 | GLU | -1 | -0.885 | -0.934 | 61.477 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 2303 | GLN | 0 | -0.051 | -0.030 | 56.881 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 2304 | ILE | 0 | -0.008 | -0.007 | 58.591 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 2305 | THR | 0 | -0.037 | -0.023 | 60.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 2306 | ARG | 1 | 0.930 | 0.993 | 53.078 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 2307 | VAL | 0 | -0.012 | -0.014 | 54.721 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 2308 | LEU | 0 | -0.036 | -0.034 | 56.632 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 2309 | LEU | 0 | 0.049 | 0.037 | 59.074 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 2310 | GLU | -1 | -0.835 | -0.931 | 51.946 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 2311 | ARG | 1 | 0.751 | 0.858 | 51.114 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 2312 | LEU | 0 | -0.009 | -0.024 | 55.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 2313 | ILE | 0 | -0.024 | 0.015 | 56.944 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 2314 | VAL | 0 | -0.040 | -0.008 | 52.157 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 2315 | ASN | 0 | -0.011 | -0.006 | 53.446 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 2316 | ARG | 1 | 0.976 | 1.002 | 54.391 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 2317 | PRO | 0 | -0.024 | -0.008 | 51.640 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 2318 | HIS | 0 | 0.000 | -0.027 | 54.176 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 2319 | PRO | 0 | 0.023 | 0.015 | 53.766 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 2320 | TRP | 0 | 0.052 | 0.015 | 56.428 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 2321 | GLY | 0 | 0.025 | 0.004 | 59.153 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 2322 | LEU | 0 | -0.013 | 0.020 | 55.987 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 2323 | LEU | 0 | 0.024 | 0.017 | 59.255 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 2324 | ILE | 0 | -0.013 | -0.004 | 61.862 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 2325 | THR | 0 | 0.009 | -0.019 | 61.698 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 2326 | PHE | 0 | 0.006 | 0.005 | 62.152 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 2327 | ILE | 0 | 0.024 | 0.013 | 64.096 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 2328 | GLU | -1 | -0.901 | -0.954 | 67.026 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 2329 | LEU | 0 | -0.015 | -0.001 | 64.450 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 2330 | ILE | 0 | -0.056 | -0.008 | 67.552 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 2331 | LYS | 1 | 0.866 | 0.925 | 70.539 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 2332 | ASN | 0 | -0.006 | -0.004 | 72.386 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 2333 | PRO | 0 | 0.047 | 0.014 | 73.608 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 2334 | ALA | 0 | -0.066 | -0.024 | 74.606 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 2335 | PHE | 0 | 0.021 | 0.017 | 69.520 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 2336 | LYS | 1 | 0.934 | 0.957 | 72.490 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 2337 | PHE | 0 | 0.060 | 0.028 | 66.288 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 2338 | TRP | 0 | 0.056 | 0.007 | 70.821 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 2339 | ASN | 0 | -0.107 | -0.050 | 73.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 2340 | HIS | 1 | 0.848 | 0.947 | 69.491 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 2341 | GLU | -1 | -0.902 | -0.960 | 69.477 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 2342 | PHE | 0 | 0.049 | 0.018 | 64.965 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 2343 | VAL | 0 | -0.075 | -0.034 | 66.481 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 2344 | HIS | 1 | 0.833 | 0.917 | 68.596 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 2345 | CYS | 0 | 0.044 | 0.058 | 64.959 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 2346 | ALA | 0 | 0.031 | 0.011 | 64.975 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 2347 | PRO | 0 | 0.041 | 0.020 | 66.942 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 2348 | GLU | -1 | -0.938 | -0.994 | 63.767 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 2349 | ILE | 0 | -0.004 | -0.002 | 62.937 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 2350 | GLU | -1 | -0.897 | -0.951 | 65.624 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 2351 | LYS | 1 | 0.891 | 0.945 | 67.122 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 2352 | LEU | 0 | -0.074 | -0.020 | 62.185 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 2353 | PHE | 0 | -0.030 | -0.010 | 65.263 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |