FMODB ID: 3J14L
Calculation Name: 1FOK-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1FOK
Chain ID: A
UniProt ID: P14870
Base Structure: X-ray
Registration Date: 2023-09-24
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 576 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -12568650.12899 |
---|---|
FMO2-HF: Nuclear repulsion | 12342284.073661 |
FMO2-HF: Total energy | -226366.055329 |
FMO2-MP2: Total energy | -227038.544639 |
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:4:LYS)
Summations of interaction energy for
fragment #1(A:4:LYS)
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. |
98.185 | 102.688 | 0.096 | -1.663 | -2.935 | -0.005 |
Interaction energy analysis for fragmet #1(A:4:LYS)
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 | 6 | ARG | 1 | 0.863 | 0.926 | 2.891 | 43.339 | 45.158 | 0.049 | -0.630 | -1.238 | 0.002 |
4 | A | 7 | THR | 0 | -0.034 | -0.014 | 5.373 | -0.771 | -0.735 | -0.001 | -0.005 | -0.030 | 0.000 |
5 | A | 8 | PHE | 0 | 0.036 | 0.027 | 6.486 | 1.795 | 1.795 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 9 | GLY | 0 | 0.029 | 0.010 | 11.055 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 10 | TRP | 0 | 0.003 | 0.039 | 14.351 | 1.669 | 1.669 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 11 | VAL | 0 | 0.017 | 0.016 | 15.150 | -0.771 | -0.771 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 12 | GLN | 0 | 0.021 | 0.001 | 17.455 | 0.671 | 0.671 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 13 | ASN | 0 | 0.015 | -0.006 | 19.296 | 0.622 | 0.622 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 14 | PRO | 0 | -0.019 | 0.009 | 18.775 | 0.601 | 0.601 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 15 | GLY | 0 | 0.065 | 0.025 | 21.884 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 16 | LYS | 1 | 0.851 | 0.919 | 25.252 | 10.150 | 10.150 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 17 | PHE | 0 | 0.104 | 0.045 | 25.016 | -0.393 | -0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 18 | GLU | -1 | -0.811 | -0.900 | 26.094 | -10.118 | -10.118 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 19 | ASN | 0 | -0.042 | -0.049 | 23.650 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 20 | LEU | 0 | 0.032 | 0.045 | 20.038 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 21 | LYS | 1 | 0.869 | 0.940 | 22.006 | 9.597 | 9.597 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 22 | ARG | 1 | 0.817 | 0.923 | 23.726 | 10.548 | 10.548 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 23 | VAL | 0 | 0.010 | -0.004 | 17.686 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 24 | VAL | 0 | 0.019 | 0.016 | 19.418 | -0.624 | -0.624 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 25 | GLN | 0 | 0.069 | 0.013 | 20.884 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 26 | VAL | 0 | -0.021 | 0.012 | 19.242 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 27 | PHE | 0 | -0.011 | -0.004 | 14.474 | -0.364 | -0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 28 | ASP | -1 | -0.888 | -0.947 | 20.197 | -11.781 | -11.781 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 29 | ARG | 1 | 0.894 | 0.934 | 23.765 | 12.319 | 12.319 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 30 | ASN | 0 | -0.042 | -0.008 | 25.507 | 0.551 | 0.551 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 31 | SER | 0 | 0.013 | 0.018 | 25.981 | 0.424 | 0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 32 | LYS | 1 | 0.981 | 0.964 | 28.467 | 8.709 | 8.709 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 33 | VAL | 0 | 0.028 | 0.005 | 25.010 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 34 | HIS | 0 | 0.003 | 0.054 | 22.830 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 35 | ASN | 0 | 0.029 | 0.002 | 25.340 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 36 | GLU | -1 | -0.902 | -0.961 | 28.069 | -9.896 | -9.896 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 37 | VAL | 0 | -0.004 | -0.015 | 22.217 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 38 | LYS | 1 | 0.909 | 0.959 | 24.441 | 11.612 | 11.612 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 39 | ASN | 0 | -0.017 | -0.019 | 25.478 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 40 | ILE | 0 | -0.031 | -0.006 | 28.639 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 41 | LYS | 1 | 0.853 | 0.950 | 25.509 | 9.857 | 9.857 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 42 | ILE | 0 | 0.051 | 0.012 | 21.184 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 43 | PRO | 0 | 0.014 | 0.020 | 24.920 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 44 | THR | 0 | -0.074 | -0.034 | 27.790 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 45 | LEU | 0 | -0.032 | -0.035 | 25.753 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 46 | VAL | 0 | -0.032 | 0.009 | 21.721 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 47 | LYS | 1 | 0.926 | 0.953 | 24.520 | 9.643 | 9.643 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 48 | GLU | -1 | -0.878 | -0.927 | 21.375 | -12.233 | -12.233 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 49 | SER | 0 | 0.052 | 0.013 | 23.942 | -0.363 | -0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 50 | LYS | 1 | 0.913 | 0.965 | 19.092 | 13.464 | 13.464 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 51 | ILE | 0 | 0.087 | 0.036 | 17.880 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 52 | GLN | 0 | -0.056 | -0.019 | 20.817 | -0.305 | -0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 53 | LYS | 1 | 0.955 | 0.971 | 23.540 | 10.347 | 10.347 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 54 | GLU | -1 | -0.912 | -0.962 | 18.289 | -14.468 | -14.468 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 55 | LEU | 0 | 0.018 | 0.007 | 16.696 | -0.400 | -0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 56 | VAL | 0 | 0.010 | 0.015 | 20.123 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 57 | ALA | 0 | -0.016 | -0.014 | 21.592 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 58 | ILE | 0 | 0.021 | 0.033 | 16.445 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 59 | MET | 0 | -0.035 | -0.007 | 19.681 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 60 | ASN | 0 | -0.032 | -0.060 | 21.548 | 0.475 | 0.475 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 61 | GLN | 0 | -0.013 | 0.012 | 18.796 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 62 | HIS | 0 | 0.006 | 0.006 | 22.965 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 63 | ASP | -1 | -0.892 | -0.937 | 20.158 | -14.045 | -14.045 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 64 | LEU | 0 | -0.088 | -0.040 | 19.229 | -0.572 | -0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 65 | ILE | 0 | 0.018 | -0.002 | 13.428 | -0.947 | -0.947 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 66 | TYR | 0 | -0.024 | -0.026 | 13.632 | 0.647 | 0.647 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 67 | THR | 0 | -0.005 | -0.014 | 8.721 | -1.483 | -1.483 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 68 | TYR | 0 | -0.015 | -0.037 | 6.434 | 1.375 | 1.375 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 69 | LYS | 1 | 0.963 | 0.972 | 8.364 | 20.454 | 20.454 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 70 | GLU | -1 | -0.785 | -0.890 | 10.302 | -17.646 | -17.646 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 71 | LEU | 0 | -0.005 | 0.012 | 11.357 | 1.372 | 1.372 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 72 | VAL | 0 | -0.035 | -0.016 | 10.825 | 1.112 | 1.112 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 73 | GLY | 0 | 0.019 | 0.020 | 12.621 | 1.079 | 1.079 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 74 | THR | 0 | -0.062 | -0.048 | 12.739 | -0.777 | -0.777 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 75 | GLY | 0 | 0.022 | 0.003 | 15.126 | 0.447 | 0.447 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 76 | THR | 0 | 0.016 | 0.021 | 18.105 | -0.382 | -0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 77 | SER | 0 | 0.010 | -0.002 | 20.989 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 78 | ILE | 0 | 0.043 | 0.032 | 22.430 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 79 | ARG | 1 | 0.893 | 0.932 | 17.551 | 13.289 | 13.289 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 80 | SER | 0 | -0.011 | 0.002 | 24.215 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 81 | GLU | -1 | -0.932 | -0.969 | 26.446 | -9.535 | -9.535 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 82 | ALA | 0 | -0.044 | -0.009 | 21.598 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 83 | PRO | 0 | 0.071 | 0.055 | 21.489 | 0.366 | 0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 84 | CYS | 0 | -0.055 | -0.013 | 21.355 | -0.529 | -0.529 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 85 | ASP | -1 | -0.843 | -0.931 | 17.240 | -13.332 | -13.332 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 86 | ALA | 0 | -0.062 | -0.043 | 15.386 | -0.663 | -0.663 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 87 | ILE | 0 | 0.036 | 0.025 | 15.983 | 0.675 | 0.675 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 88 | ILE | 0 | -0.020 | 0.014 | 14.596 | 0.701 | 0.701 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 89 | GLN | 0 | -0.056 | -0.032 | 16.286 | 1.253 | 1.253 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 90 | ALA | 0 | 0.046 | 0.005 | 19.715 | 0.561 | 0.561 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 91 | THR | 0 | -0.057 | -0.036 | 20.800 | 0.562 | 0.562 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 92 | ILE | 0 | -0.073 | -0.029 | 21.702 | 0.520 | 0.520 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 93 | ALA | 0 | 0.065 | 0.028 | 23.869 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 94 | ASP | -1 | -0.805 | -0.904 | 26.369 | -10.447 | -10.447 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 95 | GLN | 0 | -0.020 | -0.025 | 27.284 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 96 | GLY | 0 | -0.016 | -0.014 | 29.489 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 97 | ASN | 0 | -0.038 | -0.022 | 30.422 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 98 | LYS | 1 | 0.924 | 0.971 | 29.489 | 8.897 | 8.897 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 99 | LYS | 1 | 0.913 | 1.000 | 23.813 | 11.077 | 11.077 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 100 | GLY | 0 | 0.036 | 0.006 | 27.939 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 101 | TYR | 0 | -0.123 | -0.095 | 22.273 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 102 | ILE | 0 | -0.035 | 0.008 | 19.656 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 103 | ASP | -1 | -0.841 | -0.928 | 19.293 | -13.298 | -13.298 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 104 | ASN | 0 | 0.109 | 0.035 | 13.715 | 0.487 | 0.487 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 105 | TRP | 0 | -0.031 | 0.006 | 13.334 | -1.185 | -1.185 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 106 | SER | 0 | 0.046 | 0.000 | 15.795 | -0.356 | -0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 107 | SER | 0 | -0.012 | -0.016 | 15.552 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 108 | ASP | -1 | -0.837 | -0.888 | 10.513 | -21.597 | -21.597 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 109 | GLY | 0 | 0.012 | -0.005 | 13.139 | -0.597 | -0.597 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 110 | PHE | 0 | -0.005 | -0.029 | 15.912 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 111 | LEU | 0 | 0.012 | 0.039 | 9.766 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 112 | ARG | 1 | 0.845 | 0.906 | 11.539 | 19.942 | 19.942 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 113 | TRP | 0 | -0.033 | -0.015 | 13.677 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 114 | ALA | 0 | 0.051 | 0.016 | 16.369 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 115 | HIS | 0 | -0.003 | 0.003 | 11.348 | 0.866 | 0.866 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 116 | ALA | 0 | -0.049 | -0.005 | 14.845 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 117 | LEU | 0 | -0.055 | -0.052 | 16.734 | 0.306 | 0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 118 | GLY | 0 | -0.014 | 0.008 | 17.767 | 0.647 | 0.647 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 119 | PHE | 0 | 0.023 | 0.005 | 18.536 | 0.468 | 0.468 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 120 | ILE | 0 | -0.022 | -0.008 | 13.488 | 0.293 | 0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 121 | GLU | -1 | -0.898 | -0.945 | 12.689 | -21.702 | -21.702 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 122 | TYR | 0 | -0.051 | -0.070 | 3.710 | -4.570 | -4.342 | 0.000 | -0.050 | -0.177 | 0.000 |
120 | A | 123 | ILE | 0 | 0.008 | 0.001 | 8.784 | -0.883 | -0.883 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 124 | ASN | 0 | 0.029 | -0.011 | 3.163 | 6.091 | 6.527 | 0.012 | -0.100 | -0.350 | -0.001 |
122 | A | 125 | LYS | 1 | 0.946 | 0.980 | 4.988 | 27.377 | 27.494 | -0.001 | -0.003 | -0.112 | 0.000 |
123 | A | 126 | SER | 0 | 0.043 | 0.014 | 6.054 | -0.876 | -0.876 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 127 | ASP | -1 | -0.794 | -0.834 | 3.564 | -42.978 | -42.471 | 0.009 | -0.263 | -0.253 | -0.002 |
125 | A | 128 | SER | 0 | -0.038 | -0.033 | 6.000 | 4.401 | 4.401 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 129 | PHE | 0 | -0.029 | -0.012 | 7.848 | -2.595 | -2.595 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 130 | VAL | 0 | 0.044 | 0.023 | 11.754 | 0.962 | 0.962 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 131 | ILE | 0 | -0.038 | 0.009 | 15.510 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 132 | THR | 0 | 0.037 | 0.022 | 17.482 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 133 | ASP | -1 | -0.822 | -0.924 | 19.979 | -13.257 | -13.257 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 134 | VAL | 0 | -0.013 | -0.015 | 22.187 | 0.627 | 0.627 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 135 | GLY | 0 | 0.057 | 0.027 | 21.620 | 0.394 | 0.394 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 136 | LEU | 0 | 0.001 | -0.011 | 22.606 | 0.722 | 0.722 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 137 | ALA | 0 | -0.031 | -0.021 | 24.943 | 0.497 | 0.497 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 138 | TYR | 0 | -0.025 | -0.006 | 23.394 | 0.547 | 0.547 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 139 | SER | 0 | -0.047 | -0.022 | 24.718 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 140 | LYS | 1 | 0.926 | 0.960 | 27.040 | 11.432 | 11.432 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 141 | SER | 0 | -0.071 | -0.008 | 29.659 | 0.460 | 0.460 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 142 | ALA | 0 | 0.095 | 0.032 | 31.542 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 143 | ASP | -1 | -0.883 | -0.936 | 31.235 | -9.707 | -9.707 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 144 | GLY | 0 | -0.054 | -0.022 | 33.584 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 145 | SER | 0 | -0.109 | -0.060 | 33.883 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 146 | ALA | 0 | 0.029 | 0.013 | 34.740 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 147 | ILE | 0 | 0.090 | 0.041 | 32.177 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 148 | GLU | -1 | -0.746 | -0.873 | 29.844 | -10.065 | -10.065 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 149 | LYS | 1 | 0.915 | 0.965 | 30.230 | 8.578 | 8.578 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 150 | GLU | -1 | -0.963 | -0.979 | 31.036 | -9.384 | -9.384 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 151 | ILE | 0 | 0.005 | 0.001 | 26.629 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 152 | LEU | 0 | -0.002 | -0.007 | 25.699 | -0.530 | -0.530 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 153 | ILE | 0 | -0.015 | -0.017 | 26.953 | -0.330 | -0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 154 | GLU | -1 | -0.838 | -0.916 | 26.483 | -11.418 | -11.418 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 155 | ALA | 0 | 0.001 | 0.010 | 23.303 | -0.447 | -0.447 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 156 | ILE | 0 | 0.021 | -0.012 | 23.633 | -0.573 | -0.573 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 157 | SER | 0 | -0.074 | -0.047 | 24.844 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 158 | SER | 0 | -0.062 | -0.018 | 21.816 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 159 | TYR | 0 | -0.064 | -0.051 | 18.316 | -0.646 | -0.646 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 160 | PRO | 0 | 0.047 | 0.016 | 19.202 | 0.652 | 0.652 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 161 | PRO | 0 | 0.016 | 0.013 | 19.678 | 0.719 | 0.719 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 162 | ALA | 0 | 0.009 | -0.004 | 22.762 | 0.497 | 0.497 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 163 | ILE | 0 | 0.008 | 0.009 | 24.999 | 0.597 | 0.597 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 164 | ARG | 1 | 0.849 | 0.955 | 25.236 | 11.858 | 11.858 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 165 | ILE | 0 | 0.005 | 0.003 | 26.595 | 0.440 | 0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 166 | LEU | 0 | 0.019 | 0.001 | 29.144 | 0.373 | 0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 167 | THR | 0 | -0.040 | -0.047 | 29.488 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 168 | LEU | 0 | -0.066 | -0.032 | 29.259 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 169 | LEU | 0 | -0.021 | -0.007 | 32.809 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 170 | GLU | -1 | -0.871 | -0.945 | 34.669 | -8.998 | -8.998 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 171 | ASP | -1 | -0.935 | -0.965 | 37.174 | -7.966 | -7.966 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 172 | GLY | 0 | -0.034 | -0.003 | 39.461 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 173 | GLN | 0 | -0.006 | -0.005 | 38.375 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 174 | HIS | 0 | -0.073 | -0.042 | 38.990 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 175 | LEU | 0 | 0.021 | 0.019 | 34.515 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 176 | THR | 0 | 0.007 | 0.000 | 34.973 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 177 | LYS | 1 | 0.849 | 0.927 | 29.711 | 9.509 | 9.509 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 178 | PHE | 0 | 0.013 | 0.013 | 30.047 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 179 | ASP | -1 | -0.820 | -0.910 | 31.588 | -8.844 | -8.844 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 180 | LEU | 0 | -0.044 | -0.040 | 29.433 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 181 | GLY | 0 | 0.014 | 0.005 | 27.064 | -0.358 | -0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 182 | LYS | 1 | 0.948 | 0.979 | 27.002 | 8.663 | 8.663 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 183 | ASN | 0 | -0.050 | 0.017 | 28.151 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 184 | LEU | 0 | 0.035 | 0.016 | 23.266 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 185 | GLY | 0 | -0.020 | -0.013 | 21.074 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 186 | PHE | 0 | -0.023 | -0.007 | 17.309 | 0.471 | 0.471 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 187 | SER | 0 | -0.076 | -0.080 | 21.147 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 188 | GLY | 0 | 0.027 | 0.037 | 24.338 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 189 | GLU | -1 | -0.825 | -0.916 | 18.234 | -16.766 | -16.766 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 190 | SER | 0 | -0.002 | -0.012 | 17.188 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 191 | GLY | 0 | -0.086 | -0.042 | 17.739 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 192 | PHE | 0 | -0.063 | -0.035 | 17.376 | -0.340 | -0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 193 | THR | 0 | 0.059 | 0.038 | 21.793 | 0.433 | 0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 194 | SER | 0 | -0.059 | -0.051 | 24.797 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 195 | LEU | 0 | 0.013 | -0.009 | 28.092 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 196 | PRO | 0 | 0.029 | 0.012 | 31.101 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 197 | GLU | -1 | -0.851 | -0.941 | 34.475 | -8.170 | -8.170 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 198 | GLY | 0 | -0.014 | -0.002 | 36.582 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 199 | ILE | 0 | 0.078 | 0.032 | 36.366 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 200 | LEU | 0 | -0.018 | 0.007 | 35.495 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 201 | LEU | 0 | 0.004 | -0.016 | 38.030 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 202 | ASP | -1 | -0.884 | -0.939 | 41.065 | -6.785 | -6.785 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 203 | THR | 0 | -0.039 | -0.020 | 39.603 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 204 | LEU | 0 | -0.036 | -0.029 | 38.985 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 205 | ALA | 0 | -0.037 | 0.006 | 42.347 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 206 | ASN | 0 | -0.080 | -0.042 | 45.816 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 207 | ALA | 0 | 0.046 | 0.023 | 44.075 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 208 | MET | 0 | -0.005 | 0.007 | 46.004 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 209 | PRO | 0 | 0.020 | -0.031 | 45.503 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 210 | LYS | 1 | 0.887 | 0.952 | 44.708 | 6.053 | 6.053 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 211 | ASP | -1 | -0.778 | -0.892 | 41.452 | -6.947 | -6.947 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 212 | LYS | 1 | 0.791 | 0.906 | 40.273 | 6.579 | 6.579 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 213 | GLY | 0 | -0.012 | -0.029 | 39.426 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 214 | GLU | -1 | -0.882 | -0.930 | 35.966 | -8.148 | -8.148 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 215 | ILE | 0 | 0.000 | -0.004 | 35.309 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 216 | ARG | 1 | 0.848 | 0.949 | 36.033 | 7.393 | 7.393 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 217 | ASN | 0 | -0.061 | -0.037 | 33.085 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 218 | ASN | 0 | -0.014 | -0.005 | 30.920 | -0.357 | -0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 219 | TRP | 0 | 0.020 | 0.018 | 30.280 | -0.373 | -0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 220 | GLU | -1 | -0.864 | -0.956 | 27.107 | -10.246 | -10.246 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 221 | GLY | 0 | 0.026 | 0.038 | 26.215 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 222 | SER | 0 | 0.000 | -0.022 | 20.595 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 223 | SER | 0 | 0.065 | 0.032 | 22.613 | -0.412 | -0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 224 | ASP | -1 | -0.723 | -0.844 | 23.870 | -10.414 | -10.414 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 225 | LYS | 1 | 0.879 | 0.943 | 22.857 | 11.921 | 11.921 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 226 | TYR | 0 | 0.008 | -0.006 | 17.399 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 227 | ALA | 0 | 0.033 | 0.030 | 23.104 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 228 | ARG | 1 | 0.864 | 0.918 | 26.575 | 10.513 | 10.513 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 229 | MET | 0 | -0.039 | 0.000 | 23.026 | 0.404 | 0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 230 | ILE | 0 | -0.008 | 0.007 | 22.170 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 231 | GLY | 0 | 0.032 | 0.012 | 25.450 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 232 | GLY | 0 | 0.020 | 0.005 | 28.207 | 0.366 | 0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 233 | TRP | 0 | -0.067 | -0.045 | 20.209 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 234 | LEU | 0 | 0.031 | 0.009 | 27.797 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 235 | ASP | -1 | -0.889 | -0.917 | 30.088 | -8.444 | -8.444 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 236 | LYS | 1 | 0.941 | 0.973 | 28.612 | 10.242 | 10.242 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 237 | LEU | 0 | -0.026 | -0.008 | 27.629 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 238 | GLY | 0 | -0.012 | -0.008 | 32.139 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 239 | LEU | 0 | -0.052 | -0.030 | 30.335 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 240 | VAL | 0 | 0.012 | -0.003 | 32.399 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 241 | LYS | 1 | 0.942 | 0.969 | 34.804 | 8.012 | 8.012 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 242 | GLN | 0 | -0.010 | -0.004 | 33.001 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 243 | GLY | 0 | -0.069 | -0.042 | 36.193 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 244 | LYS | 1 | 0.942 | 0.987 | 38.787 | 6.817 | 6.817 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 245 | LYS | 1 | 0.879 | 0.967 | 39.666 | 7.955 | 7.955 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 246 | GLU | -1 | -0.910 | -0.976 | 41.627 | -6.625 | -6.625 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 247 | PHE | 0 | -0.003 | -0.012 | 39.661 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 248 | ILE | 0 | 0.026 | 0.005 | 45.398 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 249 | ILE | 0 | -0.007 | 0.008 | 44.809 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 250 | PRO | 0 | -0.025 | -0.004 | 48.258 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 251 | THR | 0 | 0.065 | 0.030 | 49.115 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 252 | LEU | 0 | -0.012 | -0.014 | 51.033 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 253 | GLY | 0 | -0.008 | -0.012 | 53.607 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 254 | LYS | 1 | 0.896 | 0.954 | 51.729 | 6.019 | 6.019 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 255 | PRO | 0 | 0.028 | 0.009 | 53.775 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 256 | ASP | -1 | -0.862 | -0.947 | 53.697 | -5.656 | -5.656 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 257 | ASN | 0 | -0.071 | -0.008 | 48.504 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 258 | LYS | 1 | 0.952 | 0.961 | 48.052 | 6.387 | 6.387 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 259 | GLU | -1 | -0.795 | -0.868 | 43.127 | -6.880 | -6.880 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 260 | PHE | 0 | -0.038 | -0.045 | 40.960 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 261 | ILE | 0 | 0.030 | 0.041 | 35.817 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 262 | SER | 0 | 0.012 | -0.033 | 36.366 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 263 | HIS | 0 | -0.009 | 0.001 | 32.025 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 264 | ALA | 0 | 0.027 | 0.022 | 33.923 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 265 | PHE | 0 | -0.016 | -0.015 | 31.157 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 266 | LYS | 1 | 0.985 | 1.011 | 35.858 | 7.369 | 7.369 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 267 | ILE | 0 | 0.028 | 0.035 | 34.946 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 268 | THR | 0 | 0.014 | 0.006 | 37.148 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 269 | GLY | 0 | 0.061 | 0.020 | 38.871 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 270 | GLU | -1 | -0.896 | -0.960 | 36.170 | -8.601 | -8.601 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 271 | GLY | 0 | 0.053 | 0.023 | 34.810 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 272 | LEU | 0 | 0.001 | -0.007 | 34.859 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 273 | LYS | 1 | 0.811 | 0.926 | 36.622 | 7.830 | 7.830 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 274 | VAL | 0 | 0.033 | 0.015 | 31.005 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 275 | LEU | 0 | 0.043 | 0.022 | 31.072 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 276 | ARG | 1 | 0.919 | 0.970 | 32.968 | 7.961 | 7.961 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 277 | ARG | 1 | 0.920 | 0.963 | 30.976 | 10.118 | 10.118 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 278 | ALA | 0 | -0.008 | 0.016 | 28.427 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 279 | LYS | 1 | 0.875 | 0.929 | 29.437 | 8.910 | 8.910 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 280 | GLY | 0 | -0.093 | -0.040 | 31.685 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 281 | SER | 0 | 0.044 | 0.030 | 32.989 | 0.352 | 0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 282 | THR | 0 | 0.016 | -0.007 | 36.637 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 283 | LYS | 1 | 0.910 | 0.945 | 39.593 | 7.696 | 7.696 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 284 | PHE | 0 | -0.033 | -0.013 | 35.814 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 285 | THR | 0 | 0.051 | 0.022 | 32.668 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 286 | ARG | 1 | 0.808 | 0.894 | 27.828 | 10.958 | 10.958 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 287 | VAL | 0 | 0.033 | 0.025 | 25.213 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 288 | PRO | 0 | -0.018 | 0.007 | 22.612 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 289 | LYS | 1 | 0.852 | 0.929 | 21.130 | 12.264 | 12.264 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 290 | ARG | 1 | 0.890 | 0.946 | 16.597 | 15.638 | 15.638 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 291 | VAL | 0 | 0.030 | 0.006 | 14.740 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 292 | TYR | 0 | 0.038 | 0.010 | 10.650 | -0.562 | -0.562 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 293 | TRP | 0 | 0.061 | 0.019 | 5.389 | 2.452 | 2.452 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 294 | GLU | -1 | -0.928 | -0.973 | 5.622 | -42.745 | -42.745 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 295 | MET | 0 | -0.038 | -0.008 | 9.339 | 1.460 | 1.460 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 296 | LEU | 0 | -0.062 | -0.030 | 12.486 | 1.858 | 1.858 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 297 | ALA | 0 | 0.075 | 0.038 | 12.899 | 0.948 | 0.948 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 298 | THR | 0 | -0.012 | -0.006 | 12.524 | -1.850 | -1.850 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 299 | ASN | 0 | -0.039 | -0.039 | 12.313 | -2.086 | -2.086 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 300 | LEU | 0 | 0.037 | 0.056 | 13.864 | 0.473 | 0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 301 | THR | 0 | 0.046 | -0.005 | 12.592 | -1.107 | -1.107 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 302 | ASP | -1 | -0.834 | -0.926 | 11.970 | -21.077 | -21.077 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 303 | LYS | 1 | 0.870 | 0.948 | 7.150 | 27.103 | 27.103 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 304 | GLU | -1 | -0.873 | -0.960 | 6.261 | -38.845 | -38.845 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 305 | TYR | 0 | 0.045 | -0.002 | 9.120 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 306 | VAL | 0 | 0.038 | 0.020 | 12.495 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 307 | ARG | 1 | 0.788 | 0.889 | 7.573 | 31.970 | 31.970 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 308 | THR | 0 | -0.011 | -0.006 | 9.742 | 1.158 | 1.158 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 309 | ARG | 1 | 0.877 | 0.933 | 11.853 | 17.391 | 17.391 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 310 | ARG | 1 | 0.762 | 0.872 | 15.346 | 18.268 | 18.268 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 311 | ALA | 0 | -0.004 | -0.004 | 12.315 | 0.651 | 0.651 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 312 | LEU | 0 | -0.018 | -0.007 | 13.640 | 1.069 | 1.069 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 313 | ILE | 0 | -0.002 | 0.006 | 16.066 | 1.055 | 1.055 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 314 | LEU | 0 | 0.010 | -0.005 | 17.374 | 0.860 | 0.860 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 315 | GLU | -1 | -0.836 | -0.904 | 14.883 | -19.783 | -19.783 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 316 | ILE | 0 | -0.087 | -0.051 | 18.487 | 0.926 | 0.926 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 317 | LEU | 0 | -0.021 | -0.029 | 21.583 | 0.732 | 0.732 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 318 | ILE | 0 | -0.019 | 0.008 | 18.760 | 0.473 | 0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 319 | LYS | 1 | 0.911 | 0.962 | 21.126 | 14.737 | 14.737 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 320 | ALA | 0 | -0.049 | -0.011 | 23.680 | 0.509 | 0.509 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 321 | GLY | 0 | 0.083 | 0.026 | 26.712 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 322 | SER | 0 | -0.076 | -0.041 | 29.359 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 323 | LEU | 0 | -0.013 | 0.018 | 26.407 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 324 | LYS | 1 | 0.925 | 0.970 | 30.412 | 9.013 | 9.013 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 325 | ILE | 0 | 0.010 | 0.012 | 27.996 | -0.333 | -0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 326 | GLU | -1 | -0.823 | -0.919 | 28.389 | -10.084 | -10.084 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 327 | GLN | 0 | 0.044 | 0.029 | 28.939 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 328 | ILE | 0 | -0.029 | -0.019 | 23.888 | -0.404 | -0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 329 | GLN | 0 | 0.028 | 0.009 | 24.287 | -0.528 | -0.528 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 330 | ASP | -1 | -0.879 | -0.945 | 24.702 | -11.355 | -11.355 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 331 | ASN | 0 | -0.138 | -0.111 | 22.470 | -0.647 | -0.647 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 332 | LEU | 0 | 0.009 | 0.025 | 18.499 | -0.524 | -0.524 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 333 | LYS | 1 | 1.018 | 1.011 | 20.526 | 10.985 | 10.985 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 334 | LYS | 1 | 0.870 | 0.967 | 22.358 | 12.651 | 12.651 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 335 | LEU | 0 | -0.068 | -0.048 | 16.996 | -0.340 | -0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 336 | GLY | 0 | -0.048 | -0.030 | 16.671 | -1.365 | -1.365 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 337 | PHE | 0 | -0.028 | -0.003 | 13.396 | -0.273 | -0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 338 | ASP | -1 | -0.901 | -0.945 | 19.437 | -11.844 | -11.844 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 339 | GLU | -1 | -0.789 | -0.875 | 19.357 | -15.876 | -15.876 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 340 | VAL | 0 | 0.020 | 0.010 | 23.703 | 0.495 | 0.495 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 341 | ILE | 0 | 0.035 | 0.022 | 26.180 | -0.422 | -0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 342 | GLU | -1 | -0.796 | -0.904 | 27.629 | -10.449 | -10.449 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 343 | THR | 0 | -0.133 | -0.062 | 22.589 | -0.425 | -0.425 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 344 | ILE | 0 | 0.034 | 0.006 | 23.035 | -0.346 | -0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 345 | GLU | -1 | -0.856 | -0.943 | 24.174 | -10.663 | -10.663 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 346 | ASN | 0 | 0.010 | 0.007 | 22.571 | 0.395 | 0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 347 | ASP | -1 | -0.798 | -0.883 | 19.849 | -16.109 | -16.109 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 348 | ILE | 0 | -0.041 | -0.014 | 21.856 | -0.338 | -0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 349 | LYS | 1 | 0.957 | 0.985 | 23.891 | 11.091 | 11.091 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 350 | GLY | 0 | 0.046 | 0.024 | 21.669 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 351 | LEU | 0 | -0.016 | -0.023 | 17.982 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 352 | ILE | 0 | -0.032 | -0.012 | 21.432 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 353 | ASN | 0 | 0.045 | 0.029 | 24.066 | 0.678 | 0.678 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 354 | THR | 0 | -0.091 | -0.050 | 19.064 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 355 | GLY | 0 | -0.026 | -0.008 | 21.976 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 356 | ILE | 0 | 0.026 | 0.034 | 18.883 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 357 | PHE | 0 | -0.046 | -0.033 | 23.439 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 358 | ILE | 0 | 0.033 | 0.013 | 23.116 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 359 | GLU | -1 | -0.956 | -0.974 | 27.439 | -9.422 | -9.422 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 360 | ILE | 0 | 0.013 | 0.003 | 29.705 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 361 | LYS | 1 | 0.950 | 0.985 | 32.998 | 9.536 | 9.536 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 362 | GLY | 0 | 0.036 | 0.016 | 35.856 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 363 | ARG | 1 | 0.961 | 0.982 | 34.025 | 8.791 | 8.791 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 364 | PHE | 0 | 0.032 | -0.003 | 32.353 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 365 | TYR | 0 | 0.029 | 0.012 | 28.237 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 366 | GLN | 0 | -0.014 | -0.030 | 28.819 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 367 | LEU | 0 | 0.040 | 0.039 | 22.902 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 368 | LYS | 1 | 0.873 | 0.947 | 26.978 | 9.865 | 9.865 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 369 | ASP | -1 | -0.729 | -0.895 | 24.607 | -12.074 | -12.074 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 370 | HIS | 0 | 0.023 | 0.036 | 23.547 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 371 | ILE | 0 | -0.007 | 0.010 | 18.597 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 372 | LEU | 0 | -0.010 | -0.005 | 18.253 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 373 | GLN | 0 | 0.020 | -0.003 | 16.202 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 374 | PHE | 0 | -0.001 | 0.010 | 11.811 | -0.672 | -0.672 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 375 | VAL | 0 | 0.000 | -0.005 | 7.553 | 0.448 | 0.448 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 376 | ILE | 0 | -0.014 | -0.006 | 8.619 | -1.510 | -1.510 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 377 | PRO | 0 | -0.057 | -0.040 | 3.083 | -1.417 | -1.055 | 0.021 | -0.092 | -0.291 | 0.000 |
375 | A | 378 | ASN | 0 | 0.024 | 0.007 | 3.412 | -10.134 | -9.136 | 0.007 | -0.520 | -0.484 | -0.004 |
376 | A | 379 | ARG | 1 | 0.950 | 0.961 | 5.908 | 28.382 | 28.382 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 380 | GLY | 0 | -0.037 | -0.015 | 9.376 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 381 | VAL | 0 | 0.036 | 0.020 | 9.544 | 1.638 | 1.638 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 382 | THR | 0 | -0.029 | -0.009 | 10.920 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 383 | LYS | 1 | 0.967 | 0.963 | 12.325 | 18.069 | 18.069 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 384 | GLN | 0 | -0.020 | 0.005 | 12.633 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 385 | LEU | 0 | -0.083 | -0.020 | 9.436 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 386 | VAL | 0 | 0.045 | 0.028 | 13.154 | 1.068 | 1.068 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 387 | LYS | 1 | 0.872 | 0.949 | 15.211 | 13.247 | 13.247 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 388 | SER | 0 | -0.002 | -0.002 | 16.706 | 0.988 | 0.988 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 389 | GLU | -1 | -0.813 | -0.910 | 18.549 | -11.663 | -11.663 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 390 | LEU | 0 | -0.044 | -0.015 | 19.913 | 0.527 | 0.527 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 391 | GLU | -1 | -0.839 | -0.922 | 17.533 | -15.355 | -15.355 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 392 | GLU | -1 | -0.952 | -0.971 | 20.915 | -12.669 | -12.669 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 393 | LYS | 1 | 0.865 | 0.922 | 23.633 | 10.726 | 10.726 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 394 | LYS | 1 | 0.822 | 0.893 | 19.772 | 15.055 | 15.055 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 395 | SER | 0 | -0.039 | -0.011 | 23.781 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 396 | GLU | -1 | -0.837 | -0.920 | 26.207 | -9.672 | -9.672 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 397 | LEU | 0 | 0.007 | -0.008 | 28.090 | 0.363 | 0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 398 | ARG | 1 | 0.942 | 0.953 | 22.425 | 12.980 | 12.980 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 399 | HIS | 0 | -0.041 | -0.003 | 29.631 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 400 | LYS | 1 | 0.865 | 0.923 | 31.836 | 9.410 | 9.410 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 401 | LEU | 0 | -0.034 | -0.019 | 32.463 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 402 | LYS | 1 | 0.923 | 0.968 | 34.472 | 8.626 | 8.626 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 403 | TYR | 0 | -0.019 | -0.021 | 37.137 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 404 | VAL | 0 | -0.059 | -0.018 | 34.189 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 405 | PRO | 0 | -0.004 | 0.000 | 33.901 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 406 | HIS | 0 | 0.041 | -0.008 | 28.738 | -0.450 | -0.450 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 407 | GLU | -1 | -0.922 | -0.945 | 28.462 | -9.955 | -9.955 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 408 | TYR | 0 | 0.075 | 0.026 | 28.453 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 409 | ILE | 0 | -0.035 | -0.005 | 26.003 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 410 | GLU | -1 | -0.887 | -0.964 | 25.139 | -11.161 | -11.161 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 411 | LEU | 0 | -0.020 | -0.014 | 25.677 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 412 | ILE | 0 | -0.014 | 0.007 | 24.785 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 413 | GLU | -1 | -0.887 | -0.960 | 19.632 | -14.854 | -14.854 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 414 | ILE | 0 | 0.030 | 0.015 | 23.582 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 415 | ALA | 0 | 0.007 | -0.009 | 25.287 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 416 | ARG | 1 | 0.897 | 0.951 | 20.322 | 12.945 | 12.945 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 417 | ASN | 0 | 0.005 | 0.047 | 20.608 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 418 | SER | 0 | 0.019 | 0.013 | 23.311 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 419 | THR | 0 | -0.049 | -0.071 | 21.728 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 420 | GLN | 0 | -0.049 | -0.044 | 23.702 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 421 | ASP | -1 | -0.747 | -0.874 | 26.477 | -9.335 | -9.335 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 422 | ARG | 1 | 0.966 | 0.974 | 29.875 | 9.074 | 9.074 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 423 | ILE | 0 | -0.004 | -0.008 | 27.304 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 424 | LEU | 0 | 0.014 | 0.042 | 29.185 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 425 | GLU | -1 | -0.818 | -0.904 | 31.044 | -8.169 | -8.169 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 426 | MET | 0 | -0.099 | -0.059 | 33.259 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 427 | LYS | 1 | 0.859 | 0.933 | 29.022 | 10.378 | 10.378 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 428 | VAL | 0 | 0.049 | 0.024 | 32.990 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 429 | MET | 0 | 0.005 | 0.045 | 35.275 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 430 | GLU | -1 | -0.914 | -0.961 | 34.923 | -8.562 | -8.562 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 431 | PHE | 0 | -0.013 | -0.004 | 35.398 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 432 | PHE | 0 | 0.021 | -0.005 | 37.412 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 433 | MET | 0 | -0.050 | -0.024 | 40.645 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 434 | LYS | 1 | 0.852 | 0.926 | 37.221 | 8.406 | 8.406 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 435 | VAL | 0 | -0.057 | 0.003 | 37.804 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 436 | TYR | 0 | -0.045 | -0.030 | 39.068 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 437 | GLY | 0 | 0.025 | 0.019 | 43.157 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 438 | TYR | 0 | -0.060 | -0.016 | 43.695 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 439 | ARG | 1 | 0.964 | 0.981 | 45.865 | 5.934 | 5.934 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 440 | GLY | 0 | 0.024 | -0.011 | 45.992 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 441 | LYS | 1 | 0.874 | 0.925 | 43.897 | 6.716 | 6.716 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 442 | HIS | 0 | -0.019 | 0.020 | 37.005 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 443 | LEU | 0 | -0.131 | -0.082 | 41.009 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 444 | GLY | 0 | 0.155 | 0.107 | 38.630 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 445 | GLY | 0 | -0.048 | -0.045 | 39.002 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 446 | SER | 0 | 0.054 | 0.029 | 40.241 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 447 | ARG | 1 | 0.789 | 0.864 | 42.147 | 6.565 | 6.565 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 448 | LYS | 1 | 0.909 | 0.977 | 43.395 | 7.137 | 7.137 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 449 | PRO | 0 | 0.030 | 0.050 | 42.581 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 450 | ASP | -1 | -0.687 | -0.855 | 37.481 | -7.953 | -7.953 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 451 | GLY | 0 | -0.036 | -0.050 | 39.926 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 452 | ALA | 0 | -0.039 | 0.011 | 42.138 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 453 | ILE | 0 | 0.011 | 0.005 | 42.313 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 454 | TYR | 0 | -0.004 | -0.023 | 46.295 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 455 | THR | 0 | -0.035 | 0.008 | 49.651 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 456 | VAL | 0 | -0.047 | -0.028 | 51.409 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 457 | GLY | 0 | -0.030 | -0.020 | 54.265 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 458 | SER | 0 | -0.031 | -0.001 | 52.795 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 459 | PRO | 0 | 0.004 | -0.001 | 55.577 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 460 | ILE | 0 | -0.021 | -0.019 | 54.734 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 461 | ASP | -1 | -0.773 | -0.882 | 54.580 | -5.730 | -5.730 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 462 | TYR | 0 | -0.035 | -0.021 | 48.484 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 463 | GLY | 0 | 0.032 | 0.001 | 50.187 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 464 | VAL | 0 | -0.041 | -0.027 | 44.748 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 465 | ILE | 0 | -0.003 | 0.024 | 44.721 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 466 | VAL | 0 | -0.035 | -0.041 | 39.255 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 467 | ASP | -1 | -0.777 | -0.885 | 38.698 | -7.429 | -7.429 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 468 | THR | 0 | -0.135 | -0.065 | 33.939 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 469 | LYS | 1 | 0.890 | 0.938 | 30.034 | 9.343 | 9.343 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 470 | ALA | 0 | 0.003 | 0.036 | 27.283 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 471 | TYR | 0 | -0.034 | -0.033 | 27.706 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 472 | SER | 0 | -0.003 | 0.006 | 23.051 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 473 | GLY | 0 | -0.019 | -0.008 | 24.664 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 474 | GLY | 0 | -0.004 | -0.008 | 25.583 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 475 | TYR | 0 | 0.046 | 0.004 | 29.370 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 476 | ASN | 0 | -0.051 | -0.025 | 32.486 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 477 | LEU | 0 | -0.004 | -0.006 | 35.933 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 478 | PRO | 0 | 0.060 | 0.042 | 35.628 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 479 | ILE | 0 | -0.028 | -0.029 | 38.569 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 480 | GLY | 0 | 0.041 | 0.030 | 40.949 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 481 | GLN | 0 | 0.004 | -0.005 | 36.829 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 482 | ALA | 0 | -0.061 | -0.030 | 40.194 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 483 | ASP | -1 | -0.847 | -0.935 | 42.595 | -6.319 | -6.319 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 484 | GLU | -1 | -0.938 | -0.959 | 40.379 | -7.296 | -7.296 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 485 | MET | 0 | -0.004 | 0.001 | 42.904 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 486 | GLN | 0 | -0.013 | 0.009 | 45.178 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 487 | ARG | 1 | 0.928 | 0.988 | 47.507 | 6.291 | 6.291 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 488 | TYR | 0 | 0.006 | -0.002 | 43.447 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 489 | VAL | 0 | 0.001 | -0.020 | 48.059 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 490 | GLU | -1 | -0.892 | -0.958 | 50.346 | -5.629 | -5.629 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 491 | GLU | -1 | -0.747 | -0.867 | 50.146 | -6.000 | -6.000 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 492 | ASN | 0 | 0.002 | 0.015 | 51.645 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 493 | GLN | 0 | -0.024 | 0.017 | 53.642 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 494 | THR | 0 | 0.025 | 0.024 | 56.097 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 495 | ARG | 1 | 0.843 | 0.914 | 55.040 | 5.517 | 5.517 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 496 | ASN | 0 | -0.015 | -0.026 | 57.699 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 497 | LYS | 1 | 1.040 | 1.019 | 56.678 | 5.067 | 5.067 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 498 | HIS | 0 | -0.083 | -0.045 | 57.044 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 499 | ILE | 0 | -0.027 | -0.002 | 53.738 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 500 | ASN | 0 | -0.078 | -0.085 | 48.446 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 501 | PRO | 0 | 0.065 | 0.039 | 52.404 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 502 | ASN | 0 | -0.089 | -0.042 | 47.814 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 503 | GLU | -1 | -0.951 | -0.988 | 51.373 | -5.465 | -5.465 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 504 | TRP | 0 | -0.009 | -0.006 | 48.031 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 505 | TRP | 0 | 0.067 | 0.040 | 50.034 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 506 | LYS | 1 | 0.913 | 0.956 | 52.189 | 5.526 | 5.526 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 507 | VAL | 0 | -0.050 | -0.012 | 47.820 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 508 | TYR | 0 | -0.102 | -0.065 | 48.041 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 509 | PRO | 0 | -0.023 | 0.004 | 52.879 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 510 | SER | 0 | 0.028 | -0.008 | 56.051 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 511 | SER | 0 | -0.002 | -0.015 | 59.007 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 512 | VAL | 0 | -0.028 | 0.018 | 53.698 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 513 | THR | 0 | 0.022 | 0.004 | 57.046 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 514 | GLU | -1 | -0.876 | -0.933 | 54.098 | -5.741 | -5.741 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 515 | PHE | 0 | -0.003 | -0.006 | 50.876 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 516 | LYS | 1 | 0.838 | 0.938 | 48.104 | 5.926 | 5.926 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 517 | PHE | 0 | -0.019 | -0.007 | 44.749 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 518 | LEU | 0 | -0.002 | -0.009 | 40.208 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 519 | PHE | 0 | 0.051 | 0.030 | 38.242 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 520 | VAL | 0 | 0.001 | 0.000 | 34.123 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 521 | SER | 0 | -0.007 | -0.024 | 31.508 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 522 | GLY | 0 | -0.015 | -0.004 | 28.981 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 523 | HIS | 0 | 0.030 | 0.012 | 29.872 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 524 | PHE | 0 | 0.022 | -0.004 | 31.555 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 525 | LYS | 1 | 0.957 | 0.953 | 30.021 | 9.324 | 9.324 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 526 | GLY | 0 | 0.085 | 0.022 | 35.801 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 527 | ASN | 0 | -0.085 | -0.001 | 38.635 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 528 | TYR | 0 | 0.019 | 0.004 | 38.075 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 529 | LYS | 1 | 0.989 | 1.028 | 40.573 | 6.502 | 6.502 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 530 | ALA | 0 | 0.011 | 0.030 | 43.849 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 531 | GLN | 0 | 0.053 | 0.004 | 42.251 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 532 | LEU | 0 | 0.018 | 0.056 | 43.225 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 533 | THR | 0 | -0.047 | -0.085 | 45.907 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 534 | ARG | 1 | 0.924 | 0.990 | 45.179 | 6.580 | 6.580 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 535 | LEU | 0 | 0.061 | 0.030 | 46.585 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 536 | ASN | 0 | -0.022 | 0.012 | 48.108 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 537 | HIS | 0 | -0.052 | -0.014 | 51.593 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 538 | ILE | 0 | -0.011 | -0.004 | 51.198 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 539 | THR | 0 | -0.003 | -0.001 | 52.033 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 540 | ASN | 0 | 0.001 | 0.005 | 54.662 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 541 | CYS | 0 | -0.036 | -0.007 | 51.619 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 542 | ASN | 0 | 0.002 | -0.026 | 50.830 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 543 | GLY | 0 | 0.051 | 0.018 | 46.900 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 544 | ALA | 0 | -0.100 | -0.047 | 43.796 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 545 | VAL | 0 | -0.004 | 0.007 | 38.254 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 546 | LEU | 0 | 0.031 | 0.009 | 37.156 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 547 | SER | 0 | 0.061 | 0.036 | 32.941 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 548 | VAL | 0 | 0.034 | -0.003 | 29.269 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 549 | GLU | -1 | -0.839 | -0.905 | 30.748 | -9.771 | -9.771 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 550 | GLU | -1 | -0.814 | -0.930 | 32.458 | -8.123 | -8.123 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 551 | LEU | 0 | -0.030 | 0.001 | 34.806 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 552 | LEU | 0 | 0.079 | 0.023 | 30.549 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 553 | ILE | 0 | -0.035 | -0.005 | 34.619 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 554 | GLY | 0 | -0.019 | -0.008 | 37.152 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 555 | GLY | 0 | 0.015 | -0.018 | 38.569 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 556 | GLU | -1 | -0.789 | -0.893 | 37.219 | -8.172 | -8.172 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 557 | MET | 0 | -0.054 | -0.012 | 39.759 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 558 | ILE | 0 | -0.007 | 0.005 | 42.972 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 559 | LYS | 1 | 0.864 | 0.940 | 40.824 | 7.567 | 7.567 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 560 | ALA | 0 | -0.025 | -0.012 | 43.057 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 561 | GLY | 0 | 0.003 | 0.011 | 44.751 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 562 | THR | 0 | -0.049 | -0.043 | 44.320 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 563 | LEU | 0 | -0.045 | 0.011 | 43.801 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 564 | THR | 0 | 0.031 | 0.024 | 47.280 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 565 | LEU | 0 | 0.052 | 0.006 | 46.037 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 566 | GLU | -1 | -0.815 | -0.915 | 49.328 | -5.641 | -5.641 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 567 | GLU | -1 | -0.845 | -0.951 | 49.298 | -6.256 | -6.256 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 568 | VAL | 0 | 0.034 | 0.021 | 44.843 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 569 | ARG | 1 | 0.925 | 1.001 | 47.667 | 5.721 | 5.721 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 570 | ARG | 1 | 0.810 | 0.877 | 50.118 | 5.864 | 5.864 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 571 | LYS | 1 | 0.864 | 0.947 | 44.531 | 6.893 | 6.893 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 572 | PHE | 0 | -0.027 | -0.006 | 44.405 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 573 | ASN | 0 | 0.046 | 0.021 | 45.774 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 574 | ASN | 0 | 0.014 | -0.017 | 47.160 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 575 | GLY | 0 | -0.022 | -0.029 | 44.339 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 576 | GLU | -1 | -0.956 | -0.975 | 36.936 | -8.103 | -8.103 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 577 | ILE | 0 | -0.041 | -0.003 | 41.029 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 578 | ASN | 0 | 0.017 | -0.001 | 38.221 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 579 | PHE | 0 | 0.008 | 0.002 | 39.846 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |