FMODB ID: 2JN3R
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 | OptHSide |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 438 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -8891188.238766 |
---|---|
FMO2-HF: Nuclear repulsion | 8708738.243278 |
FMO2-HF: Total energy | -182449.995488 |
FMO2-MP2: Total energy | -182991.322518 |
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. |
-9.039 | -4.286 | 5.493 | -3.442 | -6.802 | -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 | 0.099 | 0.047 | 2.266 | -7.263 | -3.785 | 5.426 | -2.960 | -5.943 | -0.014 |
4 | A | 856 | ASN | 0 | -0.017 | -0.015 | 3.110 | -1.457 | -0.182 | 0.067 | -0.482 | -0.859 | -0.004 |
5 | A | 857 | SER | 0 | 0.025 | 0.000 | 5.777 | 0.720 | 0.720 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 858 | GLU | -1 | -0.843 | -0.903 | 7.853 | -1.584 | -1.584 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 859 | ILE | 0 | -0.015 | -0.005 | 9.816 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 860 | LEU | 0 | -0.022 | -0.016 | 10.979 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 861 | ASN | 0 | 0.000 | 0.008 | 11.501 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 862 | ASN | 0 | -0.018 | -0.024 | 14.716 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 863 | ILE | 0 | -0.025 | 0.016 | 16.557 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 864 | ILE | 0 | -0.035 | -0.034 | 18.947 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 865 | LEU | 0 | 0.001 | 0.006 | 21.794 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 866 | ASN | 0 | -0.006 | -0.018 | 16.198 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 867 | LEU | 0 | -0.010 | 0.014 | 20.361 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 868 | ARG | 1 | 0.900 | 0.952 | 14.385 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 869 | TYR | 0 | 0.032 | 0.012 | 20.845 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 870 | LYS | 1 | 0.840 | 0.897 | 20.746 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 871 | ASP | -1 | -0.868 | -0.916 | 22.950 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 872 | ASN | 0 | -0.020 | -0.010 | 25.903 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 873 | ASN | 0 | 0.068 | 0.041 | 26.553 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 874 | LEU | 0 | -0.009 | -0.006 | 24.535 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 875 | ILE | 0 | 0.002 | -0.006 | 21.789 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 876 | ASP | -1 | -0.727 | -0.853 | 22.319 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 877 | LEU | 0 | -0.061 | -0.034 | 17.326 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 878 | SER | 0 | -0.069 | -0.047 | 17.832 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 879 | GLY | 0 | 0.010 | 0.011 | 18.975 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 880 | TYR | 0 | -0.047 | -0.032 | 20.475 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 881 | GLY | 0 | -0.041 | -0.005 | 23.490 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 882 | ALA | 0 | 0.014 | 0.016 | 25.414 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 883 | LYS | 1 | 0.881 | 0.933 | 27.523 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 884 | VAL | 0 | -0.013 | -0.016 | 26.489 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 885 | GLU | -1 | -0.822 | -0.884 | 29.894 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 886 | VAL | 0 | 0.030 | 0.006 | 29.387 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 887 | TYR | 0 | -0.072 | -0.064 | 32.684 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 888 | ASP | -1 | -0.859 | -0.942 | 35.301 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 889 | GLY | 0 | -0.022 | 0.000 | 37.265 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 890 | VAL | 0 | -0.074 | -0.017 | 31.304 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 891 | GLU | -1 | -0.906 | -0.933 | 32.031 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 892 | LEU | 0 | 0.018 | -0.007 | 27.656 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 893 | ASN | 0 | 0.019 | 0.010 | 25.703 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 894 | ASP | -1 | -0.772 | -0.892 | 22.734 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 895 | LYS | 1 | 0.831 | 0.922 | 21.242 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 896 | ASN | 0 | -0.030 | -0.039 | 19.535 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 897 | GLN | 0 | -0.044 | 0.003 | 22.383 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 898 | PHE | 0 | 0.020 | 0.010 | 25.535 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 899 | LYS | 1 | 0.853 | 0.920 | 28.589 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 900 | LEU | 0 | -0.019 | 0.001 | 32.078 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 901 | THR | 0 | 0.054 | -0.001 | 34.739 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 902 | SER | 0 | -0.019 | -0.035 | 38.311 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 903 | SER | 0 | -0.017 | 0.002 | 40.717 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 904 | ALA | 0 | 0.032 | 0.009 | 40.910 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 905 | ASN | 0 | -0.008 | -0.013 | 40.586 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 906 | SER | 0 | -0.021 | -0.012 | 36.607 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 907 | LYS | 1 | 0.903 | 0.956 | 35.605 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 908 | ILE | 0 | 0.020 | 0.003 | 29.320 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 909 | ARG | 1 | 0.777 | 0.884 | 33.180 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 910 | VAL | 0 | 0.020 | 0.017 | 28.202 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 911 | THR | 0 | 0.010 | 0.001 | 31.392 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 912 | GLN | 0 | -0.052 | -0.036 | 29.447 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 913 | ASN | 0 | 0.031 | 0.016 | 28.727 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 914 | GLN | 0 | 0.073 | 0.061 | 32.529 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 915 | ASN | 0 | -0.006 | 0.003 | 35.873 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 916 | ILE | 0 | -0.005 | -0.011 | 37.514 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 917 | ILE | 0 | 0.022 | 0.017 | 40.437 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 918 | PHE | 0 | 0.057 | 0.032 | 38.093 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 919 | ASN | 0 | -0.003 | 0.009 | 38.766 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 920 | SER | 0 | 0.014 | 0.007 | 33.235 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 921 | VAL | 0 | -0.005 | -0.005 | 33.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 922 | PHE | 0 | -0.005 | 0.002 | 27.424 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 923 | LEU | 0 | -0.016 | 0.002 | 29.654 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 924 | ASP | -1 | -0.835 | -0.937 | 26.087 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 925 | PHE | 0 | -0.059 | -0.033 | 25.372 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 926 | SER | 0 | -0.011 | -0.030 | 22.591 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 927 | VAL | 0 | -0.012 | 0.005 | 24.313 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 928 | SER | 0 | -0.031 | -0.022 | 20.863 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 929 | PHE | 0 | 0.028 | 0.006 | 22.812 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 930 | TRP | 0 | 0.008 | 0.020 | 19.165 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 931 | ILE | 0 | -0.019 | -0.028 | 24.335 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 932 | ARG | 1 | 0.835 | 0.915 | 28.010 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 933 | ILE | 0 | 0.003 | 0.003 | 30.474 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 934 | PRO | 0 | 0.012 | 0.026 | 34.112 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 935 | LYS | 1 | 0.801 | 0.897 | 36.768 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 936 | TYR | 0 | -0.015 | 0.004 | 39.382 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 937 | LYS | 1 | 1.030 | 1.014 | 42.333 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 938 | ASN | 0 | 0.015 | -0.019 | 45.665 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 939 | ASP | -1 | -0.905 | -0.952 | 48.241 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 940 | GLY | 0 | 0.048 | 0.026 | 48.661 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 941 | ILE | 0 | -0.075 | -0.038 | 46.678 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 942 | GLN | 0 | 0.009 | 0.000 | 48.048 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 943 | ASN | 0 | 0.070 | 0.030 | 48.214 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 944 | TYR | 0 | -0.017 | 0.017 | 39.183 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 945 | ILE | 0 | -0.033 | -0.028 | 44.355 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 946 | HIS | 0 | -0.040 | -0.026 | 46.026 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 947 | ASN | 0 | -0.045 | -0.015 | 46.282 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 948 | GLU | -1 | -0.852 | -0.915 | 41.424 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 949 | TYR | 0 | -0.021 | -0.011 | 37.663 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 950 | THR | 0 | -0.024 | -0.025 | 37.515 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 951 | ILE | 0 | -0.007 | 0.000 | 32.249 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 952 | ILE | 0 | 0.020 | 0.006 | 29.690 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 953 | ASN | 0 | -0.030 | -0.024 | 33.972 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 954 | CYS | 0 | -0.022 | 0.011 | 32.949 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 955 | MET | 0 | 0.013 | 0.013 | 35.059 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 956 | LYS | 1 | 0.860 | 0.915 | 37.285 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 957 | ASN | 0 | -0.040 | -0.030 | 39.952 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 958 | ASN | 0 | -0.030 | -0.014 | 42.892 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 959 | SER | 0 | 0.037 | 0.035 | 39.422 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 960 | GLY | 0 | 0.043 | 0.004 | 36.022 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 961 | TRP | 0 | 0.005 | -0.007 | 30.091 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 962 | LYS | 1 | 0.889 | 0.946 | 34.895 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 963 | ILE | 0 | 0.014 | 0.010 | 29.865 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 964 | SER | 0 | -0.054 | -0.052 | 34.441 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 965 | ILE | 0 | 0.020 | 0.014 | 34.059 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 966 | ARG | 1 | 0.941 | 0.983 | 38.157 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 967 | GLY | 0 | 0.041 | 0.018 | 41.192 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 968 | ASN | 0 | -0.104 | -0.055 | 38.490 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 969 | ARG | 1 | 0.821 | 0.899 | 37.591 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 970 | ILE | 0 | 0.026 | 0.018 | 31.623 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 971 | ILE | 0 | -0.055 | -0.049 | 35.283 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 972 | TRP | 0 | 0.017 | 0.031 | 30.194 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 973 | THR | 0 | -0.041 | -0.032 | 34.364 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 974 | LEU | 0 | -0.012 | 0.009 | 32.840 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 975 | ILE | 0 | 0.016 | -0.004 | 36.869 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 976 | ASP | -1 | -0.710 | -0.847 | 39.228 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 977 | ILE | 0 | -0.007 | -0.020 | 40.427 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 978 | ASN | 0 | -0.081 | -0.028 | 42.596 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 979 | GLY | 0 | 0.011 | 0.021 | 44.003 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 980 | LYS | 1 | 0.844 | 0.931 | 43.150 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 981 | THR | 0 | 0.010 | -0.009 | 41.309 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 982 | LYS | 1 | 0.803 | 0.890 | 38.503 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 983 | SER | 0 | -0.006 | -0.024 | 37.516 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 984 | VAL | 0 | -0.006 | 0.024 | 32.860 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 985 | PHE | 0 | 0.005 | -0.016 | 35.106 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 986 | PHE | 0 | 0.077 | 0.065 | 32.109 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 987 | GLU | -1 | -0.837 | -0.899 | 34.466 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 988 | TYR | 0 | 0.041 | 0.039 | 34.354 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 989 | ASN | 0 | 0.039 | 0.004 | 36.766 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 990 | ILE | 0 | 0.013 | 0.014 | 39.362 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 991 | ARG | 1 | 0.920 | 0.963 | 41.841 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 992 | GLU | -1 | -0.869 | -0.919 | 38.216 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 993 | ASP | -1 | -0.821 | -0.885 | 41.455 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 994 | ILE | 0 | 0.036 | 0.006 | 35.726 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 995 | SER | 0 | 0.039 | 0.030 | 35.971 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 996 | GLU | -1 | -0.803 | -0.895 | 30.622 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 997 | TYR | 0 | -0.032 | -0.016 | 29.198 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 998 | ILE | 0 | -0.004 | -0.003 | 32.507 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 999 | ASN | 0 | -0.030 | -0.023 | 33.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 1000 | ARG | 1 | 0.779 | 0.880 | 29.673 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 1001 | TRP | 0 | -0.077 | -0.032 | 25.225 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 1002 | PHE | 0 | -0.001 | 0.015 | 25.656 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 1003 | PHE | 0 | -0.014 | -0.008 | 19.427 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 1004 | VAL | 0 | 0.024 | 0.014 | 23.992 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 1005 | THR | 0 | -0.026 | -0.018 | 21.789 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 1006 | ILE | 0 | 0.006 | 0.019 | 24.560 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 1007 | THR | 0 | -0.040 | -0.019 | 23.574 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 1008 | ASN | 0 | 0.012 | -0.007 | 26.369 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 1009 | ASN | 0 | 0.055 | 0.032 | 27.763 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 1010 | LEU | 0 | 0.032 | 0.003 | 29.635 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 1011 | ASN | 0 | -0.022 | -0.017 | 32.315 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 1012 | ASN | 0 | -0.019 | -0.006 | 31.219 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 1013 | ALA | 0 | 0.049 | 0.050 | 30.962 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 1014 | LYS | 1 | 0.847 | 0.905 | 26.976 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 1015 | ILE | 0 | 0.009 | 0.010 | 28.580 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 1016 | TYR | 0 | -0.014 | -0.031 | 24.167 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 1017 | ILE | 0 | 0.008 | -0.005 | 26.157 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 1018 | ASN | 0 | -0.007 | -0.012 | 23.211 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 1019 | GLY | 0 | 0.069 | 0.047 | 21.329 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 1020 | LYS | 1 | 0.823 | 0.910 | 22.002 | 0.293 | 0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 1021 | LEU | 0 | -0.036 | -0.016 | 25.116 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 1022 | GLU | -1 | -0.870 | -0.917 | 27.506 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 1023 | SER | 0 | -0.028 | -0.038 | 30.920 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 1024 | ASN | 0 | -0.027 | -0.037 | 31.372 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 1025 | THR | 0 | -0.037 | -0.017 | 33.395 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 1026 | ASP | -1 | -0.812 | -0.877 | 35.143 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 1027 | ILE | 0 | -0.021 | -0.040 | 33.142 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 1028 | LYS | 1 | 0.942 | 0.973 | 36.450 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 1029 | ASP | -1 | -0.917 | -0.940 | 38.292 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 1030 | ILE | 0 | -0.132 | -0.048 | 37.208 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 1031 | ARG | 1 | 0.925 | 0.955 | 39.007 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 1032 | GLU | -1 | -0.853 | -0.937 | 37.273 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 1033 | VAL | 0 | 0.012 | 0.015 | 34.797 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 1034 | ILE | 0 | -0.034 | -0.017 | 35.105 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 1035 | ALA | 0 | 0.017 | 0.006 | 31.092 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 1036 | ASN | 0 | -0.087 | -0.082 | 31.963 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 1037 | GLY | 0 | 0.011 | 0.016 | 33.656 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 1038 | GLU | -1 | -0.796 | -0.868 | 33.807 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 1039 | ILE | 0 | -0.029 | -0.018 | 28.955 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 1040 | ILE | 0 | -0.022 | -0.018 | 32.950 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 1041 | PHE | 0 | 0.005 | -0.004 | 27.910 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 1042 | LYS | 1 | 0.878 | 0.898 | 33.588 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 1043 | LEU | 0 | -0.028 | 0.014 | 35.949 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 1044 | ASP | -1 | -0.910 | -0.941 | 38.833 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 1045 | GLY | 0 | 0.087 | 0.034 | 41.743 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 1046 | ASP | -1 | -0.925 | -0.943 | 44.671 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 1047 | ILE | 0 | -0.010 | -0.003 | 41.498 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 1048 | ASP | -1 | -0.801 | -0.873 | 44.864 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 1049 | ARG | 1 | 0.977 | 0.973 | 44.355 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 1050 | THR | 0 | -0.080 | -0.056 | 43.270 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 1051 | GLN | 0 | -0.019 | 0.003 | 39.383 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 1052 | PHE | 0 | 0.005 | -0.010 | 34.816 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 1053 | ILE | 0 | -0.018 | -0.006 | 31.879 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 1054 | TRP | 0 | -0.003 | 0.022 | 29.163 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 1055 | MET | 0 | -0.002 | -0.012 | 27.217 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 1056 | LYS | 1 | 0.918 | 0.959 | 19.668 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 1057 | TYR | 0 | -0.045 | -0.026 | 16.696 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 1058 | PHE | 0 | 0.041 | 0.028 | 20.891 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 1059 | SER | 0 | -0.009 | -0.010 | 20.049 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 1060 | ILE | 0 | 0.007 | 0.011 | 22.023 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 1061 | PHE | 0 | -0.001 | -0.008 | 16.705 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 1062 | ASN | 0 | 0.002 | 0.007 | 22.018 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 1063 | THR | 0 | 0.087 | 0.037 | 19.634 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 1064 | GLU | -1 | -0.775 | -0.824 | 23.132 | -0.343 | -0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 1065 | LEU | 0 | -0.060 | -0.029 | 17.982 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 1066 | SER | 0 | 0.064 | 0.028 | 17.155 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 1067 | GLN | 0 | 0.030 | -0.006 | 19.105 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 1068 | SER | 0 | 0.045 | 0.022 | 14.850 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 1069 | ASN | 0 | 0.010 | 0.007 | 13.409 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 1070 | ILE | 0 | -0.038 | -0.021 | 15.641 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 1071 | GLU | -1 | -0.826 | -0.912 | 16.643 | -0.725 | -0.725 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 1072 | GLU | -1 | -0.869 | -0.935 | 10.709 | -1.841 | -1.841 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 1073 | ARG | 1 | 0.831 | 0.912 | 13.491 | 0.636 | 0.636 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 1074 | TYR | 0 | -0.003 | 0.007 | 14.991 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 1075 | LYS | 1 | 0.879 | 0.939 | 13.856 | 1.075 | 1.075 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 1076 | ILE | 0 | -0.017 | -0.015 | 9.488 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 1077 | GLN | 0 | -0.067 | -0.032 | 12.872 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 1078 | SER | 0 | 0.024 | -0.002 | 15.728 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 1079 | TYR | 0 | -0.062 | -0.021 | 12.524 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 1080 | SER | 0 | -0.009 | -0.001 | 15.088 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 1081 | GLU | -1 | -0.877 | -0.921 | 16.161 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 1082 | TYR | 0 | 0.020 | 0.011 | 17.449 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 1083 | LEU | 0 | 0.018 | 0.013 | 20.645 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 1084 | LYS | 1 | 0.868 | 0.919 | 19.139 | 0.325 | 0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 1085 | ASP | -1 | -0.803 | -0.922 | 25.119 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 1086 | PHE | 0 | 0.025 | -0.001 | 28.130 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 1087 | TRP | 0 | -0.035 | -0.020 | 30.238 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 1088 | GLY | 0 | 0.046 | 0.019 | 25.943 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 1089 | ASN | 0 | -0.045 | -0.011 | 24.772 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 1090 | PRO | 0 | 0.005 | 0.005 | 23.572 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 1091 | LEU | 0 | -0.024 | -0.006 | 25.219 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 1092 | MET | 0 | -0.047 | -0.030 | 26.947 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 1093 | TYR | 0 | -0.041 | -0.056 | 27.573 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 1094 | ASN | 0 | -0.013 | -0.012 | 32.015 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 1095 | LYS | 1 | 0.950 | 1.002 | 30.806 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 1096 | GLU | -1 | -0.935 | -0.976 | 35.664 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 1097 | TYR | 0 | -0.021 | -0.025 | 30.423 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 1098 | TYR | 0 | 0.021 | 0.032 | 36.916 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 1099 | MET | 0 | -0.023 | 0.002 | 34.868 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 1100 | PHE | 0 | 0.014 | 0.002 | 33.233 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 1101 | ASN | 0 | 0.017 | -0.014 | 34.644 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 1102 | ALA | 0 | 0.006 | -0.003 | 31.679 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 1103 | GLY | 0 | -0.007 | 0.009 | 33.743 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 1104 | ASN | 0 | -0.069 | -0.034 | 35.859 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 1105 | LYS | 1 | 0.909 | 0.958 | 37.065 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 1106 | ASN | 0 | -0.035 | -0.047 | 38.484 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 1107 | SER | 0 | 0.005 | 0.006 | 41.114 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 1108 | TYR | 0 | -0.031 | 0.000 | 40.961 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 1109 | ILE | 0 | 0.029 | 0.019 | 39.251 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 1110 | LYS | 1 | 0.885 | 0.955 | 43.539 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 1111 | LEU | 0 | 0.003 | 0.006 | 46.982 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 1112 | LYS | 1 | 0.855 | 0.929 | 48.625 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 1113 | LYS | 1 | 0.853 | 0.903 | 51.404 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 1114 | ASP | -1 | -0.818 | -0.901 | 54.841 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 1115 | SER | 0 | -0.033 | -0.008 | 52.552 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 1116 | PRO | 0 | 0.056 | 0.054 | 49.962 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 1117 | VAL | 0 | 0.046 | 0.024 | 47.354 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 1118 | GLY | 0 | 0.050 | 0.031 | 45.318 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 1119 | GLU | -1 | -0.873 | -0.937 | 46.090 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 1120 | ILE | 0 | -0.015 | -0.017 | 42.428 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 1121 | LEU | 0 | -0.010 | 0.009 | 45.877 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 1122 | THR | 0 | 0.004 | -0.011 | 45.591 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 1123 | ARG | 1 | 0.817 | 0.921 | 39.592 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 1124 | SER | 0 | -0.019 | -0.023 | 45.816 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 1125 | LYS | 1 | 0.926 | 0.947 | 46.671 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 1126 | TYR | 0 | 0.024 | 0.008 | 47.165 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 1127 | ASN | 0 | 0.040 | 0.009 | 48.845 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 1128 | GLN | 0 | -0.043 | -0.004 | 51.705 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 1129 | ASN | 0 | 0.038 | 0.014 | 53.411 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 1130 | SER | 0 | 0.017 | 0.024 | 50.134 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 1131 | LYS | 1 | 0.986 | 0.978 | 51.388 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 1132 | TYR | 0 | 0.006 | -0.004 | 47.513 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 1133 | ILE | 0 | -0.043 | -0.023 | 44.878 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 1134 | ASN | 0 | -0.084 | -0.061 | 45.147 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 1135 | TYR | 0 | 0.001 | 0.026 | 42.120 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 1136 | ARG | 1 | 0.806 | 0.896 | 42.167 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 1137 | ASP | -1 | -0.828 | -0.891 | 42.396 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 1138 | LEU | 0 | -0.004 | -0.035 | 37.303 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 1139 | TYR | 0 | -0.100 | -0.063 | 38.577 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 1140 | ILE | 0 | -0.044 | -0.022 | 42.471 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 1141 | GLY | 0 | 0.027 | 0.002 | 42.780 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 1142 | GLU | -1 | -0.850 | -0.928 | 43.090 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 1143 | LYS | 1 | 0.878 | 0.955 | 41.457 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 1144 | PHE | 0 | 0.038 | -0.007 | 37.839 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 1145 | ILE | 0 | -0.012 | 0.005 | 36.838 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 1146 | ILE | 0 | 0.001 | 0.011 | 30.996 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 1147 | ARG | 1 | 0.805 | 0.855 | 34.534 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 1148 | ARG | 1 | 0.884 | 0.917 | 28.105 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 1149 | LYS | 1 | 0.830 | 0.902 | 32.183 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 1150 | SER | 0 | -0.010 | -0.001 | 29.874 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 1151 | ASN | 0 | -0.046 | -0.033 | 31.002 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 1152 | SER | 0 | 0.046 | 0.031 | 32.694 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 1153 | GLN | 0 | 0.011 | 0.000 | 34.058 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 1154 | SER | 0 | -0.016 | -0.016 | 35.044 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 1155 | ILE | 0 | -0.058 | -0.017 | 33.461 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 1156 | ASN | 0 | 0.029 | 0.013 | 35.062 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 1157 | ASP | -1 | -0.853 | -0.939 | 32.243 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 1158 | ASP | -1 | -0.861 | -0.899 | 27.023 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 1159 | ILE | 0 | -0.057 | -0.034 | 23.284 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 1160 | VAL | 0 | 0.006 | 0.011 | 25.791 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 1161 | ARG | 1 | 0.849 | 0.907 | 20.656 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 1162 | LYS | 1 | 0.887 | 0.936 | 16.599 | 0.407 | 0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 1163 | GLU | -1 | -0.851 | -0.905 | 21.249 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 1164 | ASP | -1 | -0.741 | -0.818 | 23.841 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 1165 | TYR | 0 | 0.015 | 0.003 | 26.224 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 1166 | ILE | 0 | -0.040 | -0.044 | 29.640 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 1167 | TYR | 0 | 0.020 | 0.017 | 32.386 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 1168 | LEU | 0 | -0.027 | -0.011 | 35.093 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 1169 | ASP | -1 | -0.684 | -0.813 | 36.868 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 1170 | PHE | 0 | -0.003 | -0.024 | 39.563 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 1171 | PHE | 0 | 0.000 | 0.007 | 41.555 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 1172 | ASN | 0 | -0.041 | -0.011 | 45.342 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 1173 | LEU | 0 | -0.001 | -0.020 | 48.703 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 1174 | ASN | 0 | -0.017 | -0.017 | 48.809 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 1175 | GLN | 0 | 0.015 | 0.034 | 48.488 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 1176 | GLU | -1 | -0.791 | -0.847 | 40.981 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 1177 | TRP | 0 | -0.050 | -0.028 | 45.139 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 1178 | ARG | 1 | 0.855 | 0.882 | 40.128 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 1179 | VAL | 0 | -0.046 | -0.023 | 39.245 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 1180 | TYR | 0 | -0.038 | -0.034 | 40.144 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 1181 | THR | 0 | -0.036 | -0.007 | 39.168 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 1182 | TYR | 0 | 0.017 | 0.004 | 42.119 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 1183 | LYS | 1 | 0.781 | 0.892 | 42.637 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 1184 | TYR | 0 | -0.014 | -0.011 | 43.827 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 1185 | PHE | 0 | 0.063 | 0.031 | 40.464 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 1186 | LYS | 1 | 0.952 | 0.956 | 45.151 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 1187 | LYS | 1 | 0.943 | 0.998 | 46.434 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 1188 | GLU | -1 | -0.792 | -0.910 | 40.026 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 1189 | GLU | -1 | -0.922 | -0.980 | 41.444 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 1190 | GLU | -1 | -0.838 | -0.927 | 43.018 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 1191 | LYS | 1 | 0.787 | 0.888 | 43.520 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 1192 | LEU | 0 | 0.013 | 0.024 | 39.143 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 1193 | PHE | 0 | -0.005 | -0.011 | 43.454 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 1194 | LEU | 0 | -0.031 | -0.027 | 43.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 1195 | ALA | 0 | -0.017 | -0.010 | 45.895 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 1196 | PRO | 0 | 0.040 | 0.018 | 46.290 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 1197 | ILE | 0 | 0.010 | 0.025 | 42.956 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 1198 | SER | 0 | -0.048 | -0.032 | 45.620 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 1199 | ASP | -1 | -0.912 | -0.961 | 44.186 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 1200 | SER | 0 | -0.027 | 0.003 | 46.085 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 1201 | ASP | -1 | -0.796 | -0.884 | 45.319 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 1202 | GLU | -1 | -0.946 | -0.974 | 46.804 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 1203 | PHE | 0 | -0.056 | -0.056 | 44.062 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 1204 | TYR | 0 | 0.014 | 0.029 | 38.761 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 1205 | ASN | 0 | 0.056 | 0.004 | 38.956 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 1206 | THR | 0 | 0.000 | 0.012 | 33.442 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 1207 | ILE | 0 | -0.019 | -0.001 | 31.777 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 1208 | GLN | 0 | 0.006 | 0.018 | 25.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 1209 | ILE | 0 | -0.034 | -0.013 | 25.985 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 1210 | LYS | 1 | 0.812 | 0.874 | 24.370 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 1211 | GLH | 0 | -0.012 | -0.055 | 20.786 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 1212 | TYR | 0 | -0.024 | -0.028 | 21.684 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 1213 | ASP | -1 | -0.879 | -0.943 | 22.586 | -0.497 | -0.497 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 1214 | GLU | -1 | -0.919 | -0.966 | 17.966 | -0.692 | -0.692 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 1215 | GLN | 0 | -0.051 | -0.022 | 17.572 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 1216 | PRO | 0 | -0.004 | -0.004 | 18.192 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 1217 | THR | 0 | 0.016 | 0.016 | 20.480 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 1218 | TYR | 0 | -0.051 | -0.038 | 23.114 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 1219 | SER | 0 | -0.023 | -0.006 | 25.765 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 1220 | CYS | 0 | -0.037 | 0.026 | 25.459 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 1221 | GLN | 0 | 0.037 | 0.007 | 25.766 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 1222 | LEU | 0 | 0.012 | 0.016 | 28.653 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 1223 | LEU | 0 | 0.015 | 0.018 | 28.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 1224 | PHE | 0 | 0.049 | 0.027 | 31.816 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 1225 | LYS | 1 | 0.837 | 0.914 | 28.365 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 1226 | LYS | 1 | 0.851 | 0.917 | 34.081 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 1227 | ASP | -1 | -0.821 | -0.917 | 34.397 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 1228 | GLU | -1 | -0.884 | -0.942 | 30.169 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 1229 | GLU | -1 | -0.901 | -0.950 | 29.551 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 1230 | SER | 0 | -0.095 | -0.019 | 30.471 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 1231 | THR | 0 | 0.045 | 0.000 | 28.408 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 1232 | ASP | -1 | -0.907 | -0.928 | 30.874 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 1233 | GLU | -1 | -0.889 | -0.961 | 29.066 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 1234 | ILE | 0 | 0.004 | -0.001 | 33.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 1235 | GLY | 0 | 0.009 | -0.014 | 35.247 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 1236 | LEU | 0 | -0.048 | -0.019 | 30.064 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 1237 | ILE | 0 | 0.032 | 0.008 | 34.215 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 1238 | GLY | 0 | -0.003 | -0.013 | 34.847 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 1239 | ILE | 0 | -0.022 | -0.005 | 37.215 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 1240 | HIS | 0 | 0.040 | 0.009 | 40.392 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 1241 | ARG | 1 | 0.822 | 0.911 | 43.003 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 1242 | PHE | 0 | -0.030 | -0.015 | 44.876 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 1243 | TYR | 0 | 0.028 | -0.004 | 47.601 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 1244 | GLU | -1 | -0.802 | -0.865 | 52.517 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 1245 | SER | 0 | 0.012 | -0.001 | 55.224 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 1246 | GLY | 0 | -0.027 | -0.017 | 58.278 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 1247 | ILE | 0 | -0.024 | -0.032 | 60.948 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 1248 | VAL | 0 | -0.020 | -0.014 | 63.733 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 1249 | PHE | 0 | -0.107 | -0.032 | 56.524 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 1250 | GLU | -1 | -0.850 | -0.899 | 57.758 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 1251 | GLU | -1 | -0.872 | -0.941 | 54.537 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 1252 | TYR | 0 | -0.046 | -0.017 | 50.899 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 1253 | LYS | 1 | 0.912 | 0.944 | 50.242 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 1254 | ASP | -1 | -0.864 | -0.907 | 44.982 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 1255 | TYR | 0 | -0.090 | -0.103 | 45.431 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 1256 | PHE | 0 | 0.014 | 0.005 | 38.111 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 1257 | CYS | 0 | -0.066 | -0.027 | 40.901 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 1258 | ILE | 0 | 0.066 | 0.052 | 37.557 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 1259 | SER | 0 | -0.016 | -0.024 | 37.678 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 1260 | LYS | 1 | 0.891 | 0.960 | 36.714 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 1261 | TRP | 0 | 0.045 | 0.037 | 35.967 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 1262 | TYR | 0 | 0.045 | 0.001 | 33.197 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 1263 | LEU | 0 | 0.040 | 0.048 | 31.594 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 1264 | LYS | 1 | 0.822 | 0.903 | 30.554 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 1265 | GLU | -1 | -0.830 | -0.889 | 30.617 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 1266 | VAL | 0 | -0.037 | -0.013 | 27.423 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 1267 | LYS | 1 | 0.846 | 0.917 | 26.093 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 1268 | ARG | 1 | 0.853 | 0.929 | 25.912 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 1269 | LYS | 1 | 0.866 | 0.964 | 21.653 | 0.468 | 0.468 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 1270 | PRO | 0 | 0.020 | -0.010 | 23.411 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 1271 | TYR | 0 | -0.010 | -0.015 | 23.653 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 1272 | ASN | 0 | 0.026 | 0.003 | 25.461 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 1273 | LEU | 0 | 0.070 | 0.029 | 25.520 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 1274 | LYS | 1 | 0.893 | 0.941 | 29.434 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 1275 | LEU | 0 | 0.020 | 0.024 | 30.464 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 1276 | GLY | 0 | 0.049 | 0.032 | 33.531 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 1277 | CYS | 0 | -0.012 | 0.002 | 30.834 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 1278 | ASN | 0 | -0.024 | 0.039 | 28.874 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 1279 | TRP | 0 | 0.004 | -0.015 | 30.654 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 1280 | GLN | 0 | 0.023 | 0.005 | 29.419 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 1281 | PHE | 0 | 0.030 | 0.014 | 30.384 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 1282 | ILE | 0 | 0.029 | 0.003 | 32.337 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 1283 | PRO | 0 | 0.000 | 0.039 | 32.872 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 1284 | LYS | 1 | 0.933 | 0.950 | 36.013 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 1285 | ASP | -1 | -0.760 | -0.860 | 34.021 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 1286 | GLU | -1 | -0.824 | -0.896 | 36.494 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 1287 | GLY | 0 | -0.027 | -0.012 | 36.607 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 1288 | TRP | 0 | -0.048 | -0.053 | 37.445 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 1289 | THR | 0 | 0.019 | 0.025 | 39.538 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 1290 | GLU | -1 | -0.755 | -0.839 | 42.770 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |