FMODB ID: 6NYVZ
Calculation Name: 1Z0H-A-Xray372
Preferred Name: Botulinum neurotoxin type B
Target Type: SINGLE PROTEIN
Ligand Name:
ligand 3-letter code:
PDB ID: 1Z0H
Chain ID: A
ChEMBL ID: CHEMBL1075064
UniProt ID: P10844
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.
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 | 438 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -8900304.904013 |
---|---|
FMO2-HF: Nuclear repulsion | 8717853.63247 |
FMO2-HF: Total energy | -182451.271543 |
FMO2-MP2: Total energy | -182992.632265 |
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:853:ASN)
Summations of interaction energy for
fragment #1(A:853:ASN)
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. |
-9.708 | -2.991 | 3.444 | -4.131 | -6.031 | -0.018 |
Interaction energy analysis for fragmet #1(A:853:ASN)
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 | 855 | TYR | 0 | 0.065 | 0.027 | 2.241 | -7.843 | -2.846 | 3.269 | -3.241 | -5.026 | -0.009 |
4 | A | 856 | ASN | 0 | 0.018 | -0.002 | 2.896 | -2.031 | -0.311 | 0.175 | -0.890 | -1.005 | -0.009 |
5 | A | 857 | SER | 0 | -0.010 | -0.015 | 5.981 | 0.878 | 0.878 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 858 | GLU | -1 | -0.856 | -0.900 | 8.376 | -1.596 | -1.596 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 859 | ILE | 0 | 0.000 | 0.003 | 10.167 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 860 | LEU | 0 | -0.027 | -0.016 | 11.350 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 861 | ASN | 0 | 0.014 | 0.016 | 11.566 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 862 | ASN | 0 | -0.022 | -0.030 | 15.104 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 863 | ILE | 0 | -0.047 | 0.008 | 16.812 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 864 | ILE | 0 | -0.044 | -0.037 | 19.471 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 865 | LEU | 0 | -0.022 | -0.005 | 22.019 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 866 | ASN | 0 | -0.008 | -0.024 | 16.188 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 867 | LEU | 0 | 0.004 | 0.020 | 20.275 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 868 | ARG | 1 | 0.869 | 0.933 | 14.391 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 869 | TYR | 0 | 0.006 | -0.008 | 20.935 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 870 | LYS | 1 | 0.814 | 0.882 | 20.704 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 871 | ASP | -1 | -0.826 | -0.897 | 23.049 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 872 | ASN | 0 | -0.008 | 0.008 | 26.073 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 873 | ASN | 0 | 0.060 | 0.038 | 26.748 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 874 | LEU | 0 | -0.003 | -0.005 | 24.590 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 875 | ILE | 0 | 0.006 | -0.004 | 21.927 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 876 | ASP | -1 | -0.727 | -0.843 | 22.404 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 877 | LEU | 0 | -0.047 | -0.024 | 17.596 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 878 | SER | 0 | -0.060 | -0.047 | 17.815 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 879 | GLY | 0 | -0.011 | 0.006 | 19.163 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 880 | TYR | 0 | -0.024 | -0.022 | 20.507 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 881 | GLY | 0 | -0.018 | 0.011 | 23.597 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 882 | ALA | 0 | -0.002 | -0.006 | 25.309 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 883 | LYS | 1 | 0.897 | 0.943 | 27.393 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 884 | VAL | 0 | -0.012 | -0.012 | 26.820 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 885 | GLU | -1 | -0.807 | -0.870 | 30.194 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 886 | VAL | 0 | 0.027 | 0.005 | 29.459 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 887 | TYR | 0 | -0.057 | -0.056 | 32.691 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 888 | ASP | -1 | -0.873 | -0.950 | 35.538 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 889 | GLY | 0 | -0.010 | 0.007 | 37.637 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 890 | VAL | 0 | -0.071 | -0.005 | 31.334 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 891 | GLU | -1 | -0.873 | -0.931 | 32.233 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 892 | LEU | 0 | -0.001 | -0.016 | 27.800 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 893 | ASN | 0 | -0.004 | -0.007 | 25.326 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 894 | ASP | -1 | -0.722 | -0.851 | 22.453 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 895 | LYS | 1 | 0.799 | 0.897 | 20.790 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 896 | ASN | 0 | -0.024 | -0.031 | 19.435 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 897 | GLN | 0 | -0.016 | 0.017 | 22.057 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 898 | PHE | 0 | 0.005 | -0.004 | 25.229 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 899 | LYS | 1 | 0.830 | 0.918 | 28.357 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 900 | LEU | 0 | 0.005 | 0.017 | 31.938 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 901 | THR | 0 | 0.038 | -0.009 | 34.669 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 902 | SER | 0 | -0.012 | -0.029 | 38.272 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 903 | SER | 0 | -0.015 | 0.002 | 40.459 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 904 | ALA | 0 | 0.015 | 0.001 | 40.882 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 905 | ASN | 0 | 0.013 | -0.001 | 40.259 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 906 | SER | 0 | -0.043 | -0.033 | 36.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 907 | LYS | 1 | 0.882 | 0.958 | 35.634 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 908 | ILE | 0 | 0.025 | 0.007 | 29.231 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 909 | ARG | 1 | 0.776 | 0.879 | 33.003 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 910 | VAL | 0 | 0.015 | 0.009 | 28.082 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 911 | THR | 0 | -0.020 | -0.009 | 31.318 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 912 | GLN | 0 | -0.045 | -0.027 | 29.684 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 913 | ASN | 0 | 0.025 | 0.013 | 28.699 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 914 | GLN | 0 | 0.057 | 0.049 | 32.446 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 915 | ASN | 0 | -0.016 | -0.004 | 35.801 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 916 | ILE | 0 | 0.000 | -0.009 | 38.034 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 917 | ILE | 0 | 0.033 | 0.018 | 40.956 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 918 | PHE | 0 | 0.029 | 0.021 | 38.531 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 919 | ASN | 0 | -0.003 | 0.004 | 39.091 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 920 | SER | 0 | 0.023 | 0.013 | 33.635 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 921 | VAL | 0 | 0.009 | 0.008 | 33.966 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 922 | PHE | 0 | -0.010 | 0.004 | 27.837 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 923 | LEU | 0 | -0.019 | -0.005 | 29.926 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 924 | ASP | -1 | -0.814 | -0.925 | 26.230 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 925 | PHE | 0 | -0.061 | -0.033 | 25.543 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 926 | SER | 0 | -0.004 | -0.018 | 22.935 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 927 | VAL | 0 | -0.008 | 0.001 | 24.690 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 928 | SER | 0 | -0.041 | -0.027 | 20.705 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 929 | PHE | 0 | -0.001 | -0.008 | 22.501 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 930 | TRP | 0 | 0.013 | 0.004 | 18.993 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 931 | ILE | 0 | -0.017 | -0.019 | 24.181 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 932 | ARG | 1 | 0.826 | 0.903 | 27.871 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 933 | ILE | 0 | 0.012 | 0.015 | 30.354 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 934 | PRO | 0 | 0.011 | 0.022 | 33.997 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 935 | LYS | 1 | 0.787 | 0.885 | 36.779 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 936 | TYR | 0 | -0.036 | -0.010 | 39.371 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 937 | LYS | 1 | 1.020 | 1.018 | 41.664 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 938 | ASN | 0 | 0.007 | -0.017 | 45.462 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 939 | ASP | -1 | -0.888 | -0.943 | 47.986 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 940 | GLY | 0 | 0.041 | 0.022 | 48.115 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 941 | ILE | 0 | -0.062 | -0.033 | 46.802 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 942 | GLN | 0 | 0.010 | 0.010 | 48.031 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 943 | ASN | 0 | 0.050 | 0.021 | 47.993 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 944 | TYR | 0 | -0.022 | 0.013 | 39.062 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 945 | ILE | 0 | -0.017 | -0.011 | 44.127 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 946 | HIS | 0 | -0.036 | -0.029 | 45.942 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 947 | ASN | 0 | -0.060 | -0.043 | 45.908 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 948 | GLU | -1 | -0.850 | -0.912 | 41.238 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 949 | TYR | 0 | -0.007 | -0.006 | 37.555 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 950 | THR | 0 | -0.020 | -0.027 | 37.564 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 951 | ILE | 0 | -0.021 | -0.011 | 32.284 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 952 | ILE | 0 | 0.019 | 0.007 | 29.599 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 953 | ASN | 0 | -0.039 | -0.036 | 33.883 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 954 | CYS | 0 | -0.042 | 0.003 | 33.029 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 955 | MET | 0 | 0.017 | 0.029 | 35.147 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 956 | LYS | 1 | 0.835 | 0.895 | 36.945 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 957 | ASN | 0 | -0.027 | -0.019 | 40.279 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 958 | ASN | 0 | -0.018 | -0.006 | 43.389 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 959 | SER | 0 | 0.003 | 0.014 | 39.857 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 960 | GLY | 0 | 0.033 | 0.001 | 36.657 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 961 | TRP | 0 | 0.012 | -0.006 | 30.113 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 962 | LYS | 1 | 0.846 | 0.920 | 35.048 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 963 | ILE | 0 | 0.016 | 0.012 | 29.585 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 964 | SER | 0 | -0.031 | -0.043 | 34.161 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 965 | ILE | 0 | 0.018 | 0.008 | 33.962 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 966 | ARG | 1 | 0.908 | 0.967 | 37.910 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 967 | GLY | 0 | 0.049 | 0.022 | 40.821 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 968 | ASN | 0 | -0.092 | -0.051 | 38.151 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 969 | ARG | 1 | 0.809 | 0.893 | 37.312 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 970 | ILE | 0 | 0.044 | 0.031 | 31.102 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 971 | ILE | 0 | -0.040 | -0.033 | 35.069 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 972 | TRP | 0 | 0.007 | 0.018 | 30.568 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 973 | THR | 0 | -0.027 | -0.012 | 34.691 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 974 | LEU | 0 | -0.020 | 0.008 | 33.055 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 975 | ILE | 0 | 0.033 | 0.009 | 37.152 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 976 | ASP | -1 | -0.715 | -0.840 | 39.561 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 977 | ILE | 0 | 0.009 | -0.012 | 40.724 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 978 | ASN | 0 | -0.086 | -0.033 | 43.175 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 979 | GLY | 0 | 0.018 | 0.017 | 44.553 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 980 | LYS | 1 | 0.836 | 0.918 | 43.184 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 981 | THR | 0 | 0.015 | -0.003 | 41.514 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 982 | LYS | 1 | 0.771 | 0.878 | 38.287 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 983 | SER | 0 | 0.004 | -0.038 | 37.462 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 984 | VAL | 0 | -0.017 | 0.023 | 32.641 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 985 | PHE | 0 | 0.027 | 0.002 | 35.314 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 986 | PHE | 0 | 0.049 | 0.038 | 31.761 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 987 | GLU | -1 | -0.815 | -0.887 | 34.522 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 988 | TYR | 0 | 0.038 | 0.041 | 33.895 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 989 | ASN | 0 | 0.009 | -0.014 | 36.440 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 990 | ILE | 0 | 0.020 | 0.009 | 38.845 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 991 | ARG | 1 | 0.894 | 0.938 | 41.534 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 992 | GLU | -1 | -0.828 | -0.889 | 37.982 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 993 | ASP | -1 | -0.799 | -0.865 | 41.327 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 994 | ILE | 0 | 0.030 | 0.006 | 35.671 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 995 | SER | 0 | 0.022 | 0.018 | 35.799 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 996 | GLU | -1 | -0.820 | -0.895 | 30.145 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 997 | TYR | 0 | -0.006 | 0.001 | 29.078 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 998 | ILE | 0 | -0.018 | -0.006 | 32.200 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 999 | ASN | 0 | 0.001 | -0.008 | 33.825 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 1000 | ARG | 1 | 0.736 | 0.856 | 29.704 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 1001 | TRP | 0 | -0.065 | -0.032 | 25.174 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 1002 | PHE | 0 | -0.018 | 0.014 | 25.350 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 1003 | PHE | 0 | 0.011 | 0.010 | 19.583 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 1004 | VAL | 0 | 0.012 | 0.001 | 23.654 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 1005 | THR | 0 | -0.015 | -0.002 | 21.781 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 1006 | ILE | 0 | 0.006 | 0.019 | 24.460 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 1007 | THR | 0 | -0.043 | -0.037 | 23.677 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 1008 | ASN | 0 | 0.035 | 0.007 | 26.607 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 1009 | ASN | 0 | 0.047 | 0.021 | 27.750 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 1010 | LEU | 0 | 0.036 | 0.011 | 29.653 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 1011 | ASN | 0 | -0.070 | -0.033 | 32.330 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 1012 | ASN | 0 | 0.007 | 0.005 | 31.363 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 1013 | ALA | 0 | 0.036 | 0.040 | 30.982 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 1014 | LYS | 1 | 0.814 | 0.884 | 27.148 | 0.357 | 0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 1015 | ILE | 0 | -0.012 | -0.004 | 28.412 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 1016 | TYR | 0 | 0.014 | 0.002 | 24.087 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 1017 | ILE | 0 | 0.011 | 0.000 | 26.162 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 1018 | ASN | 0 | -0.012 | -0.014 | 23.110 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 1019 | GLY | 0 | 0.079 | 0.052 | 21.222 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 1020 | LYS | 1 | 0.805 | 0.901 | 21.926 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 1021 | LEU | 0 | 0.000 | -0.002 | 25.009 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 1022 | GLU | -1 | -0.896 | -0.924 | 27.173 | -0.315 | -0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 1023 | SER | 0 | -0.022 | -0.031 | 30.656 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 1024 | ASN | 0 | -0.017 | -0.033 | 31.130 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 1025 | THR | 0 | -0.052 | -0.031 | 33.134 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 1026 | ASP | -1 | -0.772 | -0.857 | 34.971 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 1027 | ILE | 0 | -0.020 | -0.029 | 33.519 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 1028 | LYS | 1 | 0.899 | 0.942 | 36.799 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 1029 | ASP | -1 | -0.906 | -0.928 | 38.658 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 1030 | ILE | 0 | -0.090 | -0.023 | 37.302 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 1031 | ARG | 1 | 0.931 | 0.963 | 39.317 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 1032 | GLU | -1 | -0.863 | -0.949 | 37.139 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 1033 | VAL | 0 | -0.004 | 0.006 | 34.956 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 1034 | ILE | 0 | -0.013 | -0.018 | 35.332 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 1035 | ALA | 0 | 0.000 | 0.000 | 31.590 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 1036 | ASN | 0 | -0.065 | -0.062 | 32.460 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 1037 | GLY | 0 | 0.051 | 0.032 | 33.920 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 1038 | GLU | -1 | -0.816 | -0.900 | 33.996 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 1039 | ILE | 0 | -0.017 | -0.003 | 28.901 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 1040 | ILE | 0 | -0.016 | -0.006 | 32.862 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 1041 | PHE | 0 | 0.013 | -0.002 | 28.111 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 1042 | LYS | 1 | 0.878 | 0.902 | 33.735 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 1043 | LEU | 0 | -0.001 | 0.024 | 36.111 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 1044 | ASP | -1 | -0.863 | -0.924 | 38.957 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 1045 | GLY | 0 | 0.031 | 0.009 | 41.891 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 1046 | ASP | -1 | -0.878 | -0.917 | 44.606 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 1047 | ILE | 0 | -0.007 | -0.004 | 41.810 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 1048 | ASP | -1 | -0.791 | -0.878 | 45.197 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 1049 | ARG | 1 | 0.953 | 0.974 | 44.395 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 1050 | THR | 0 | -0.063 | -0.045 | 43.178 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 1051 | GLN | 0 | -0.009 | 0.007 | 39.522 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 1052 | PHE | 0 | 0.001 | -0.013 | 34.947 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 1053 | ILE | 0 | -0.035 | -0.018 | 31.970 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 1054 | TRP | 0 | -0.020 | 0.008 | 29.053 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 1055 | MET | 0 | -0.019 | -0.021 | 27.195 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 1056 | LYS | 1 | 0.921 | 0.954 | 19.037 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 1057 | TYR | 0 | -0.059 | -0.026 | 16.308 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 1058 | PHE | 0 | 0.038 | 0.029 | 20.783 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 1059 | SER | 0 | 0.000 | 0.001 | 20.047 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 1060 | ILE | 0 | 0.019 | 0.005 | 22.033 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 1061 | PHE | 0 | 0.009 | -0.001 | 17.231 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 1062 | ASN | 0 | 0.012 | 0.007 | 22.232 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 1063 | THR | 0 | 0.060 | 0.029 | 19.856 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 1064 | GLU | -1 | -0.744 | -0.817 | 23.313 | -0.383 | -0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 1065 | LEU | 0 | -0.047 | -0.015 | 18.085 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 1066 | SER | 0 | 0.051 | 0.017 | 17.109 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 1067 | GLN | 0 | 0.015 | -0.011 | 18.736 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 1068 | SER | 0 | 0.056 | 0.028 | 14.525 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 1069 | ASN | 0 | 0.000 | -0.002 | 13.238 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 1070 | ILE | 0 | -0.046 | -0.026 | 15.343 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 1071 | GLU | -1 | -0.818 | -0.903 | 16.485 | -0.773 | -0.773 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 1072 | GLU | -1 | -0.870 | -0.941 | 10.484 | -1.838 | -1.838 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 1073 | ARG | 1 | 0.817 | 0.900 | 13.384 | 0.721 | 0.721 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 1074 | TYR | 0 | 0.002 | 0.014 | 15.107 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 1075 | LYS | 1 | 0.849 | 0.915 | 13.421 | 1.171 | 1.171 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 1076 | ILE | 0 | -0.025 | -0.017 | 9.290 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 1077 | GLN | 0 | -0.045 | -0.021 | 12.479 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 1078 | SER | 0 | 0.035 | -0.002 | 15.566 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 1079 | TYR | 0 | -0.043 | -0.012 | 12.616 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 1080 | SER | 0 | -0.029 | -0.027 | 14.967 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 1081 | GLU | -1 | -0.846 | -0.909 | 16.149 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 1082 | TYR | 0 | 0.022 | 0.013 | 17.195 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 1083 | LEU | 0 | 0.021 | 0.030 | 20.294 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 1084 | LYS | 1 | 0.862 | 0.920 | 19.017 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 1085 | ASP | -1 | -0.786 | -0.899 | 25.040 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 1086 | PHE | 0 | 0.022 | -0.002 | 28.000 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 1087 | TRP | 0 | -0.032 | -0.016 | 30.086 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 1088 | GLY | 0 | 0.043 | 0.022 | 25.718 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 1089 | ASN | 0 | -0.033 | -0.005 | 24.587 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 1090 | PRO | 0 | 0.006 | 0.003 | 23.766 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 1091 | LEU | 0 | -0.019 | -0.004 | 25.286 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 1092 | MET | 0 | -0.048 | -0.023 | 26.678 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 1093 | TYR | 0 | 0.004 | -0.039 | 27.355 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 1094 | ASN | 0 | -0.027 | -0.012 | 31.788 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 1095 | LYS | 1 | 0.863 | 0.952 | 30.054 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 1096 | GLU | -1 | -0.850 | -0.936 | 35.257 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 1097 | TYR | 0 | -0.017 | -0.021 | 30.185 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 1098 | TYR | 0 | 0.012 | 0.029 | 36.720 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 1099 | MET | 0 | -0.029 | 0.003 | 34.693 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 1100 | PHE | 0 | 0.022 | -0.003 | 32.874 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 1101 | ASN | 0 | 0.018 | -0.009 | 34.097 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 1102 | ALA | 0 | 0.040 | 0.025 | 31.197 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 1103 | GLY | 0 | 0.031 | 0.033 | 33.247 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 1104 | ASN | 0 | -0.044 | -0.029 | 35.610 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 1105 | LYS | 1 | 0.899 | 0.943 | 36.457 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 1106 | ASN | 0 | -0.025 | -0.033 | 38.025 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 1107 | SER | 0 | -0.006 | 0.001 | 40.767 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 1108 | TYR | 0 | -0.034 | -0.003 | 40.554 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 1109 | ILE | 0 | 0.030 | 0.016 | 38.684 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 1110 | LYS | 1 | 0.869 | 0.938 | 43.082 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 1111 | LEU | 0 | -0.002 | -0.001 | 46.525 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 1112 | LYS | 1 | 0.839 | 0.915 | 48.122 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 1113 | LYS | 1 | 0.846 | 0.905 | 50.959 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 1114 | ASP | -1 | -0.796 | -0.877 | 54.516 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 1115 | SER | 0 | -0.021 | -0.017 | 52.395 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 1116 | PRO | 0 | 0.048 | 0.054 | 49.771 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 1117 | VAL | 0 | 0.041 | 0.022 | 46.926 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 1118 | GLY | 0 | 0.044 | 0.031 | 44.594 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 1119 | GLU | -1 | -0.838 | -0.914 | 45.536 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 1120 | ILE | 0 | -0.030 | -0.023 | 41.757 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 1121 | LEU | 0 | -0.013 | 0.003 | 45.305 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 1122 | THR | 0 | 0.001 | -0.009 | 45.172 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 1123 | ARG | 1 | 0.812 | 0.925 | 39.193 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 1124 | SER | 0 | -0.014 | -0.024 | 45.631 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 1125 | LYS | 1 | 0.920 | 0.947 | 46.240 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 1126 | TYR | 0 | 0.028 | 0.012 | 46.984 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 1127 | ASN | 0 | 0.023 | 0.016 | 48.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 1128 | GLN | 0 | 0.003 | 0.011 | 51.687 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 1129 | ASN | 0 | 0.010 | 0.003 | 52.570 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 1130 | SER | 0 | 0.014 | 0.010 | 50.208 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 1131 | LYS | 1 | 1.003 | 0.982 | 50.709 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 1132 | TYR | 0 | 0.016 | 0.012 | 47.450 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 1133 | ILE | 0 | -0.043 | -0.007 | 44.748 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 1134 | ASN | 0 | -0.099 | -0.078 | 45.132 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 1135 | TYR | 0 | -0.024 | 0.011 | 41.793 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 1136 | ARG | 1 | 0.817 | 0.885 | 41.932 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 1137 | ASP | -1 | -0.761 | -0.857 | 42.002 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 1138 | LEU | 0 | -0.002 | -0.026 | 37.125 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 1139 | TYR | 0 | -0.071 | -0.053 | 38.413 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 1140 | ILE | 0 | -0.041 | -0.015 | 42.213 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 1141 | GLY | 0 | 0.033 | 0.001 | 42.688 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 1142 | GLU | -1 | -0.852 | -0.921 | 42.808 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 1143 | LYS | 1 | 0.854 | 0.935 | 41.436 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 1144 | PHE | 0 | 0.038 | -0.001 | 37.446 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 1145 | ILE | 0 | -0.014 | 0.009 | 36.674 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 1146 | ILE | 0 | 0.009 | 0.015 | 30.779 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 1147 | ARG | 1 | 0.819 | 0.867 | 34.185 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 1148 | ARG | 1 | 0.881 | 0.922 | 27.562 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 1149 | LYS | 1 | 0.827 | 0.898 | 32.064 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 1150 | SER | 0 | -0.001 | 0.002 | 29.107 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 1151 | ASN | 0 | -0.004 | -0.020 | 30.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 1152 | SER | 0 | 0.031 | 0.030 | 32.261 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 1153 | GLN | 0 | -0.002 | -0.010 | 33.617 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 1154 | SER | 0 | -0.019 | -0.021 | 34.328 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 1155 | ILE | 0 | -0.027 | 0.000 | 32.784 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 1156 | ASN | 0 | -0.007 | 0.003 | 35.086 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 1157 | ASP | -1 | -0.866 | -0.943 | 31.482 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 1158 | ASP | -1 | -0.816 | -0.886 | 26.342 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 1159 | ILE | 0 | -0.061 | -0.025 | 23.116 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 1160 | VAL | 0 | 0.007 | 0.010 | 25.303 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 1161 | ARG | 1 | 0.784 | 0.864 | 20.711 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 1162 | LYS | 1 | 0.884 | 0.932 | 15.831 | 0.442 | 0.442 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 1163 | GLU | -1 | -0.843 | -0.894 | 20.899 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 1164 | ASP | -1 | -0.741 | -0.826 | 23.448 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 1165 | TYR | 0 | 0.018 | 0.006 | 25.875 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 1166 | ILE | 0 | -0.033 | -0.028 | 29.338 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 1167 | TYR | 0 | 0.023 | 0.016 | 32.095 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 1168 | LEU | 0 | -0.023 | -0.013 | 34.769 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 1169 | ASP | -1 | -0.699 | -0.819 | 36.573 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 1170 | PHE | 0 | -0.003 | -0.028 | 39.345 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 1171 | PHE | 0 | 0.013 | 0.012 | 41.055 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 1172 | ASN | 0 | -0.014 | 0.011 | 45.097 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 1173 | LEU | 0 | -0.001 | -0.014 | 48.218 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 1174 | ASN | 0 | -0.032 | -0.023 | 48.348 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 1175 | GLN | 0 | 0.004 | 0.026 | 48.223 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 1176 | GLU | -1 | -0.813 | -0.866 | 40.748 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 1177 | TRP | 0 | -0.053 | -0.037 | 44.720 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 1178 | ARG | 1 | 0.843 | 0.883 | 39.630 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 1179 | VAL | 0 | -0.035 | -0.016 | 38.962 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 1180 | TYR | 0 | -0.041 | -0.042 | 39.920 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 1181 | THR | 0 | -0.057 | -0.045 | 38.995 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 1182 | TYR | 0 | -0.001 | -0.010 | 42.076 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 1183 | LYS | 1 | 0.785 | 0.893 | 42.029 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 1184 | TYR | 0 | -0.008 | 0.000 | 43.355 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 1185 | PHE | 0 | 0.003 | 0.016 | 39.735 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 1186 | LYS | 1 | 0.975 | 0.973 | 44.444 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 1187 | LYS | 1 | 0.930 | 0.982 | 46.087 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 1188 | GLU | -1 | -0.782 | -0.906 | 39.552 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 1189 | GLU | -1 | -0.856 | -0.924 | 41.015 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 1190 | GLU | -1 | -0.823 | -0.890 | 42.666 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 1191 | LYS | 1 | 0.774 | 0.875 | 43.163 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 1192 | LEU | 0 | -0.004 | 0.002 | 38.791 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 1193 | PHE | 0 | 0.026 | 0.011 | 43.269 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 1194 | LEU | 0 | -0.042 | -0.031 | 42.807 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 1195 | ALA | 0 | -0.011 | -0.005 | 45.738 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 1196 | PRO | 0 | 0.040 | 0.014 | 46.090 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 1197 | ILE | 0 | 0.012 | 0.026 | 42.440 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 1198 | SER | 0 | -0.053 | -0.030 | 44.888 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 1199 | ASP | -1 | -0.911 | -0.959 | 43.323 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 1200 | SER | 0 | -0.024 | 0.000 | 45.480 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 1201 | ASP | -1 | -0.784 | -0.891 | 44.459 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 1202 | GLU | -1 | -0.919 | -0.965 | 45.693 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 1203 | PHE | 0 | -0.058 | -0.046 | 43.774 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 1204 | TYR | 0 | 0.019 | 0.031 | 38.302 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 1205 | ASN | 0 | 0.042 | 0.001 | 38.660 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 1206 | THR | 0 | 0.001 | 0.018 | 33.087 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 1207 | ILE | 0 | -0.025 | -0.008 | 31.559 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 1208 | GLN | 0 | 0.007 | 0.005 | 24.670 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 1209 | ILE | 0 | -0.029 | -0.011 | 25.739 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 1210 | LYS | 1 | 0.781 | 0.864 | 24.281 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 1211 | GLH | 0 | -0.020 | -0.061 | 20.509 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 1212 | TYR | 0 | -0.024 | -0.025 | 21.332 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 1213 | ASP | -1 | -0.863 | -0.942 | 22.223 | -0.489 | -0.489 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 1214 | GLU | -1 | -0.909 | -0.976 | 18.077 | -0.642 | -0.642 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 1215 | GLN | 0 | -0.035 | -0.009 | 17.188 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 1216 | PRO | 0 | -0.016 | -0.009 | 17.900 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 1217 | THR | 0 | 0.006 | 0.018 | 20.092 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 1218 | TYR | 0 | -0.045 | -0.056 | 22.566 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 1219 | SER | 0 | -0.018 | 0.002 | 25.299 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 1220 | CYS | 0 | -0.037 | 0.025 | 25.052 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 1221 | GLN | 0 | 0.042 | 0.016 | 25.364 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 1222 | LEU | 0 | 0.007 | 0.006 | 28.295 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 1223 | LEU | 0 | 0.001 | 0.012 | 28.465 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 1224 | PHE | 0 | 0.049 | 0.021 | 31.460 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 1225 | LYS | 1 | 0.811 | 0.892 | 27.746 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 1226 | LYS | 1 | 0.852 | 0.919 | 33.747 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 1227 | ASP | -1 | -0.812 | -0.903 | 34.172 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 1228 | GLU | -1 | -0.855 | -0.915 | 29.771 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 1229 | GLU | -1 | -0.912 | -0.955 | 29.073 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 1230 | SER | 0 | -0.089 | -0.036 | 29.673 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 1231 | THR | 0 | 0.035 | -0.002 | 27.684 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 1232 | ASP | -1 | -0.897 | -0.933 | 30.083 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 1233 | GLU | -1 | -0.797 | -0.900 | 28.687 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 1234 | ILE | 0 | -0.002 | 0.013 | 32.841 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 1235 | GLY | 0 | 0.008 | -0.014 | 34.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 1236 | LEU | 0 | -0.047 | -0.019 | 29.848 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 1237 | ILE | 0 | 0.039 | 0.014 | 33.928 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 1238 | GLY | 0 | -0.008 | -0.010 | 34.474 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 1239 | ILE | 0 | -0.014 | -0.001 | 36.833 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 1240 | HIS | 0 | 0.056 | 0.017 | 39.873 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 1241 | ARG | 1 | 0.818 | 0.904 | 42.652 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 1242 | PHE | 0 | -0.015 | -0.008 | 44.224 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 1243 | TYR | 0 | 0.017 | -0.006 | 47.281 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 1244 | GLU | -1 | -0.786 | -0.853 | 52.054 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 1245 | SER | 0 | -0.019 | -0.030 | 54.675 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 1246 | GLY | 0 | -0.030 | -0.018 | 57.769 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 1247 | ILE | 0 | -0.005 | -0.031 | 60.465 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 1248 | VAL | 0 | -0.035 | -0.009 | 63.532 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 1249 | PHE | 0 | -0.091 | -0.031 | 56.641 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 1250 | GLU | -1 | -0.806 | -0.865 | 57.315 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 1251 | GLU | -1 | -0.869 | -0.918 | 54.043 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 1252 | TYR | 0 | -0.048 | -0.051 | 50.820 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 1253 | LYS | 1 | 0.890 | 0.939 | 49.829 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 1254 | ASP | -1 | -0.875 | -0.915 | 44.750 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 1255 | TYR | 0 | -0.064 | -0.076 | 45.042 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 1256 | PHE | 0 | 0.011 | 0.004 | 37.610 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 1257 | CYS | 0 | -0.060 | -0.014 | 40.211 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 1258 | ILE | 0 | 0.033 | 0.034 | 37.064 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 1259 | SER | 0 | -0.023 | -0.039 | 37.492 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 1260 | LYS | 1 | 0.867 | 0.932 | 36.441 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 1261 | TRP | 0 | 0.035 | 0.042 | 35.757 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 1262 | TYR | 0 | 0.028 | -0.017 | 32.940 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 1263 | LEU | 0 | 0.020 | 0.036 | 31.368 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 1264 | LYS | 1 | 0.799 | 0.884 | 30.333 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 1265 | GLU | -1 | -0.829 | -0.887 | 30.398 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 1266 | VAL | 0 | -0.024 | -0.014 | 27.182 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 1267 | LYS | 1 | 0.835 | 0.902 | 25.824 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 1268 | ARG | 1 | 0.856 | 0.928 | 25.754 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 1269 | LYS | 1 | 0.839 | 0.937 | 21.520 | 0.429 | 0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 1270 | PRO | 0 | 0.031 | 0.007 | 22.977 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 1271 | TYR | 0 | -0.019 | -0.010 | 23.212 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 1272 | ASN | 0 | 0.033 | 0.016 | 24.945 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 1273 | LEU | 0 | 0.055 | 0.012 | 25.021 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 1274 | LYS | 1 | 0.784 | 0.893 | 28.848 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 1275 | LEU | 0 | 0.011 | 0.019 | 30.188 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 1276 | GLY | 0 | 0.059 | 0.027 | 33.116 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 1277 | CYS | 0 | -0.020 | 0.001 | 30.782 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 1278 | ASN | 0 | -0.020 | 0.032 | 28.588 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 1279 | TRP | 0 | -0.016 | -0.027 | 30.194 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 1280 | GLN | 0 | 0.019 | 0.009 | 28.918 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 1281 | PHE | 0 | 0.040 | 0.013 | 30.292 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 1282 | ILE | 0 | 0.019 | 0.003 | 32.245 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 1283 | PRO | 0 | 0.007 | 0.029 | 32.654 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 1284 | LYS | 1 | 0.897 | 0.929 | 35.818 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 1285 | ASP | -1 | -0.768 | -0.855 | 33.789 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 1286 | GLU | -1 | -0.773 | -0.874 | 35.239 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 1287 | GLY | 0 | -0.040 | -0.011 | 36.708 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 1288 | TRP | 0 | -0.045 | -0.054 | 37.141 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 1289 | THR | 0 | 0.017 | 0.019 | 39.395 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 1290 | GLU | -1 | -0.785 | -0.854 | 42.366 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |