FMODB ID: 6NN4Z
Calculation Name: 4R0Y-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4R0Y
Chain ID: A
UniProt ID: P97836
Base Structure: X-ray
Registration Date: 2023-06-21
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 | 469 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -8827508.564767 |
---|---|
FMO2-HF: Nuclear repulsion | 8644251.118907 |
FMO2-HF: Total energy | -183257.44586 |
FMO2-MP2: Total energy | -183795.049896 |
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:1:LYS)
Summations of interaction energy for
fragment #1(A:1: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. |
-240.311 | -235.484 | 8.05 | -6.778 | -6.096 | -0.06 |
Interaction energy analysis for fragmet #1(A:1: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 | 3 | GLU | -1 | -0.956 | -0.970 | 3.810 | -27.289 | -26.239 | -0.009 | -0.416 | -0.624 | 0.001 |
4 | A | 4 | GLU | -1 | -0.913 | -0.957 | 5.802 | -24.207 | -24.207 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 5 | GLY | 0 | 0.018 | 0.006 | 8.941 | 0.902 | 0.902 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | LYS | 1 | 0.844 | 0.913 | 8.536 | 22.282 | 22.282 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | LEU | 0 | 0.019 | 0.022 | 11.405 | -0.759 | -0.759 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | VAL | 0 | -0.046 | 0.000 | 7.968 | 1.105 | 1.105 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | ILE | 0 | 0.058 | 0.016 | 11.198 | -0.560 | -0.560 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | TRP | 0 | -0.030 | -0.011 | 9.130 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | ILE | 0 | 0.030 | 0.011 | 14.418 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | ASN | 0 | 0.012 | -0.029 | 18.156 | -0.494 | -0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | GLY | 0 | -0.005 | -0.006 | 20.566 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | ASP | -1 | -0.885 | -0.927 | 22.591 | -10.464 | -10.464 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | LYS | 1 | 0.957 | 0.985 | 22.886 | 10.944 | 10.944 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | GLY | 0 | 0.026 | 0.025 | 24.923 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | TYR | 0 | -0.045 | -0.048 | 20.542 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | ASN | 0 | -0.030 | -0.011 | 21.717 | -0.639 | -0.639 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | GLY | 0 | 0.082 | 0.043 | 24.157 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | LEU | 0 | -0.017 | -0.003 | 19.009 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | ALA | 0 | -0.001 | -0.009 | 20.342 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | GLU | -1 | -0.943 | -0.968 | 21.312 | -9.603 | -9.603 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | VAL | 0 | -0.007 | 0.006 | 23.053 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | GLY | 0 | -0.007 | -0.011 | 19.912 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | LYS | 1 | 0.856 | 0.922 | 20.492 | 11.951 | 11.951 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | LYS | 1 | 0.968 | 0.985 | 22.464 | 9.885 | 9.885 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | PHE | 0 | 0.030 | 0.019 | 17.787 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | GLU | -1 | -0.880 | -0.952 | 18.955 | -13.119 | -13.119 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | LYS | 1 | 0.857 | 0.939 | 20.965 | 9.746 | 9.746 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | ASP | -1 | -0.924 | -0.957 | 24.328 | -9.943 | -9.943 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | THR | 0 | -0.014 | -0.002 | 19.566 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | GLY | 0 | -0.020 | -0.011 | 20.708 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | ILE | 0 | -0.087 | -0.024 | 15.082 | -0.543 | -0.543 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | LYS | 1 | 0.922 | 0.974 | 11.495 | 18.501 | 18.501 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | VAL | 0 | 0.031 | 0.010 | 14.626 | -0.815 | -0.815 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | THR | 0 | -0.069 | -0.038 | 12.216 | 0.402 | 0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | VAL | 0 | 0.006 | 0.012 | 14.009 | -0.557 | -0.557 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | GLU | -1 | -0.926 | -0.961 | 11.146 | -18.521 | -18.521 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | HIS | 1 | 0.923 | 0.953 | 15.285 | 12.872 | 12.872 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | PRO | 0 | -0.029 | -0.009 | 13.301 | 0.597 | 0.597 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | ASP | -1 | -0.862 | -0.937 | 16.108 | -12.844 | -12.844 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | LYS | 1 | 0.933 | 0.954 | 16.892 | 12.959 | 12.959 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | LEU | 0 | 0.042 | 0.035 | 14.712 | -0.785 | -0.785 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | GLU | -1 | -0.779 | -0.887 | 14.938 | -14.592 | -14.592 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | GLU | -1 | -0.912 | -0.966 | 16.946 | -13.856 | -13.856 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | LYS | 1 | 0.828 | 0.908 | 12.153 | 15.735 | 15.735 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | PHE | 0 | 0.025 | 0.019 | 10.495 | -1.678 | -1.678 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | PRO | 0 | 0.024 | 0.006 | 10.796 | -1.727 | -1.727 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | GLN | 0 | -0.081 | -0.041 | 11.786 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | VAL | 0 | -0.013 | -0.020 | 6.845 | -1.321 | -1.321 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | ALA | 0 | 0.041 | 0.039 | 6.758 | -3.595 | -3.595 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | ALA | 0 | -0.052 | -0.033 | 8.489 | -1.512 | -1.512 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | THR | 0 | -0.135 | -0.086 | 5.487 | 2.574 | 2.574 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | GLY | 0 | -0.011 | 0.006 | 4.587 | -8.093 | -7.854 | -0.001 | -0.016 | -0.222 | 0.000 |
55 | A | 55 | ASP | -1 | -0.821 | -0.902 | 2.133 | -72.809 | -69.339 | 8.053 | -6.349 | -5.173 | -0.061 |
56 | A | 56 | GLY | 0 | 0.019 | -0.006 | 3.609 | 4.377 | 4.445 | 0.007 | 0.003 | -0.077 | 0.000 |
57 | A | 57 | PRO | 0 | -0.044 | -0.017 | 5.960 | -1.220 | -1.220 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | ASP | -1 | -0.712 | -0.833 | 8.763 | -25.183 | -25.183 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | ILE | 0 | -0.024 | -0.002 | 10.198 | 0.662 | 0.662 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | ILE | 0 | -0.010 | 0.002 | 13.236 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | PHE | 0 | -0.005 | -0.014 | 14.815 | 0.562 | 0.562 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | TRP | 0 | -0.030 | -0.041 | 18.494 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | ALA | 0 | 0.036 | 0.048 | 20.431 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | HIS | 0 | 0.036 | 0.005 | 22.393 | -0.545 | -0.545 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | ASP | -1 | -0.915 | -0.958 | 23.692 | -11.567 | -11.567 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | ARG | 1 | 0.925 | 0.963 | 19.259 | 13.520 | 13.520 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | PHE | 0 | 0.014 | -0.016 | 18.018 | -0.678 | -0.678 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | GLY | 0 | 0.080 | 0.049 | 20.176 | -0.430 | -0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | GLY | 0 | 0.019 | 0.002 | 21.162 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | TYR | 0 | -0.044 | -0.036 | 15.985 | -0.530 | -0.530 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | ALA | 0 | 0.018 | 0.017 | 16.805 | -0.979 | -0.979 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | GLN | 0 | 0.046 | 0.029 | 18.765 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | SER | 0 | -0.116 | -0.059 | 16.289 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | GLY | 0 | 0.027 | 0.017 | 15.620 | -1.120 | -1.120 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | LEU | 0 | -0.056 | -0.025 | 11.626 | -1.286 | -1.286 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | LEU | 0 | -0.051 | -0.008 | 12.552 | -0.762 | -0.762 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | ALA | 0 | -0.008 | -0.004 | 14.379 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | GLU | -1 | -0.948 | -0.968 | 16.022 | -12.686 | -12.686 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | ILE | 0 | -0.048 | -0.019 | 18.897 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | THR | 0 | -0.001 | -0.020 | 20.798 | 0.513 | 0.513 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | PRO | 0 | 0.020 | 0.042 | 23.650 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | ASP | -1 | -0.829 | -0.924 | 26.072 | -9.829 | -9.829 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | LYS | 1 | 0.933 | 0.948 | 29.535 | 8.296 | 8.296 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | ALA | 0 | -0.007 | -0.009 | 32.827 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | PHE | 0 | 0.049 | 0.020 | 26.448 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | GLN | 0 | -0.022 | -0.018 | 28.730 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | ASP | -1 | -0.964 | -0.975 | 30.848 | -7.934 | -7.934 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | LYS | 1 | 0.952 | 0.978 | 30.707 | 9.572 | 9.572 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | LEU | 0 | 0.008 | 0.022 | 27.586 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | TYR | 0 | 0.013 | 0.008 | 32.339 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | PRO | 0 | -0.005 | -0.009 | 32.947 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | PHE | 0 | 0.072 | 0.023 | 33.086 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | THR | 0 | -0.010 | -0.006 | 29.506 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | TRP | 0 | 0.019 | -0.008 | 25.248 | -0.546 | -0.546 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | ASP | -1 | -0.965 | -0.987 | 28.659 | -9.309 | -9.309 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | ALA | 0 | -0.016 | 0.003 | 28.073 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | VAL | 0 | -0.040 | -0.012 | 23.579 | -0.337 | -0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | ARG | 1 | 0.946 | 0.979 | 24.406 | 9.646 | 9.646 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | TYR | 0 | 0.024 | 0.009 | 22.234 | 0.288 | 0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | ASN | 0 | -0.010 | -0.011 | 25.100 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | GLY | 0 | -0.019 | -0.010 | 27.205 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | LYS | 1 | 0.916 | 0.982 | 21.773 | 13.971 | 13.971 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | LEU | 0 | -0.008 | 0.007 | 24.259 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | ILE | 0 | 0.006 | -0.008 | 19.572 | -0.502 | -0.502 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | ALA | 0 | -0.023 | -0.023 | 19.243 | -0.626 | -0.626 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | TYR | 0 | -0.056 | -0.079 | 20.075 | 0.348 | 0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | PRO | 0 | 0.012 | 0.018 | 22.995 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | ILE | 0 | -0.027 | -0.011 | 22.701 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | ALA | 0 | -0.004 | 0.001 | 26.161 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | VAL | 0 | -0.035 | -0.022 | 28.664 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | GLU | -1 | -0.916 | -0.958 | 30.795 | -8.967 | -8.967 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | ALA | 0 | 0.035 | 0.006 | 32.816 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | LEU | 0 | -0.019 | 0.007 | 35.835 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | SER | 0 | 0.011 | 0.004 | 38.774 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | LEU | 0 | 0.008 | 0.001 | 42.021 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | ILE | 0 | -0.027 | -0.003 | 41.509 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | TYR | 0 | -0.010 | -0.013 | 46.011 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | ASN | 0 | 0.072 | 0.022 | 49.687 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | LYS | 1 | 0.930 | 0.944 | 50.374 | 5.969 | 5.969 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | ASP | -1 | -0.882 | -0.936 | 53.947 | -5.296 | -5.296 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | LEU | 0 | -0.162 | -0.072 | 54.615 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | LEU | 0 | -0.024 | -0.023 | 53.707 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | PRO | 0 | 0.028 | 0.024 | 54.968 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | ASN | 0 | -0.050 | -0.029 | 55.730 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | PRO | 0 | 0.007 | 0.018 | 51.479 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | PRO | 0 | 0.034 | 0.014 | 52.800 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | LYS | 1 | 0.942 | 0.970 | 52.560 | 5.523 | 5.523 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | THR | 0 | -0.061 | -0.025 | 52.406 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | TRP | 0 | 0.048 | -0.003 | 46.593 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | GLU | -1 | -0.794 | -0.909 | 53.037 | -5.589 | -5.589 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | GLU | -1 | -0.907 | -0.927 | 56.375 | -5.252 | -5.252 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | ILE | 0 | 0.005 | -0.003 | 51.865 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | PRO | 0 | -0.013 | -0.006 | 56.258 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | ALA | 0 | -0.024 | -0.021 | 58.557 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | LEU | 0 | 0.055 | 0.040 | 55.815 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | ASP | -1 | -0.746 | -0.890 | 57.142 | -5.317 | -5.317 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | LYS | 1 | 0.914 | 0.963 | 58.819 | 4.905 | 4.905 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | GLU | -1 | -0.888 | -0.949 | 62.450 | -4.688 | -4.688 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | LEU | 0 | -0.054 | -0.017 | 56.874 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | LYS | 1 | 0.879 | 0.949 | 57.292 | 5.299 | 5.299 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | ALA | 0 | -0.036 | 0.006 | 61.637 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | LYS | 1 | 0.874 | 0.946 | 60.324 | 5.052 | 5.052 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | GLY | 0 | -0.020 | -0.019 | 61.688 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | LYS | 1 | 0.817 | 0.921 | 56.962 | 5.194 | 5.194 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | SER | 0 | 0.042 | 0.014 | 53.571 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | ALA | 0 | 0.041 | 0.016 | 55.063 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | LEU | 0 | -0.060 | -0.031 | 47.835 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | MET | 0 | -0.009 | 0.005 | 48.800 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | PHE | 0 | 0.036 | 0.001 | 43.524 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | ASN | 0 | 0.041 | 0.018 | 39.091 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | LEU | 0 | -0.026 | -0.007 | 42.461 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | GLN | 0 | -0.044 | -0.034 | 41.106 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | GLU | -1 | -0.874 | -0.936 | 35.500 | -8.372 | -8.372 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | PRO | 0 | 0.017 | 0.022 | 37.162 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | TYR | 0 | 0.009 | 0.010 | 33.560 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | PHE | 0 | 0.028 | -0.013 | 36.828 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | THR | 0 | -0.006 | 0.009 | 40.179 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | TRP | 0 | -0.035 | 0.020 | 38.654 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | PRO | 0 | 0.011 | 0.017 | 40.392 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | LEU | 0 | 0.004 | 0.000 | 42.515 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | ILE | 0 | -0.040 | -0.023 | 43.103 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | ALA | 0 | 0.042 | 0.015 | 41.656 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | ALA | 0 | -0.024 | 0.007 | 43.705 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | ASP | -1 | -0.878 | -0.952 | 46.160 | -5.988 | -5.988 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | GLY | 0 | 0.026 | 0.018 | 46.114 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | GLY | 0 | -0.038 | 0.005 | 43.758 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | TYR | 0 | -0.096 | -0.079 | 38.847 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | ALA | 0 | -0.012 | -0.001 | 35.264 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | PHE | 0 | 0.015 | 0.001 | 32.735 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | LYS | 1 | 0.968 | 1.008 | 35.806 | 7.732 | 7.732 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | TYR | 0 | -0.006 | -0.003 | 30.360 | -0.323 | -0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | GLU | -1 | -0.942 | -0.990 | 33.868 | -8.001 | -8.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | ASN | 0 | -0.022 | -0.009 | 31.909 | -0.333 | -0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | GLY | 0 | 0.038 | 0.005 | 28.956 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | LYS | 1 | 0.919 | 0.970 | 28.341 | 10.104 | 10.104 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | TYR | 0 | 0.014 | 0.012 | 29.248 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | ASP | -1 | -0.843 | -0.923 | 32.261 | -8.680 | -8.680 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | ILE | 0 | -0.020 | -0.022 | 30.913 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | LYS | 1 | 0.894 | 0.947 | 34.782 | 8.335 | 8.335 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | ASP | -1 | -0.874 | -0.901 | 37.784 | -7.376 | -7.376 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | VAL | 0 | 0.007 | -0.011 | 37.307 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | GLY | 0 | 0.008 | 0.004 | 39.532 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | VAL | 0 | -0.007 | -0.027 | 40.136 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | ASP | -1 | -0.877 | -0.931 | 42.988 | -6.407 | -6.407 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | ASN | 0 | 0.058 | 0.034 | 44.902 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | ALA | 0 | -0.009 | -0.025 | 48.211 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | GLY | 0 | 0.040 | 0.022 | 48.580 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | ALA | 0 | 0.033 | 0.012 | 45.224 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | LYS | 1 | 0.894 | 0.944 | 47.025 | 6.194 | 6.194 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | ALA | 0 | -0.006 | 0.004 | 50.172 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | GLY | 0 | 0.054 | 0.028 | 48.535 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | LEU | 0 | 0.009 | -0.002 | 46.745 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | THR | 0 | -0.010 | -0.015 | 49.104 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | PHE | 0 | 0.018 | 0.023 | 51.910 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | LEU | 0 | 0.017 | 0.005 | 46.780 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | VAL | 0 | 0.007 | -0.006 | 50.833 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | ASP | -1 | -0.886 | -0.951 | 52.752 | -5.363 | -5.363 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | LEU | 0 | -0.083 | -0.036 | 51.583 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | ILE | 0 | -0.011 | -0.001 | 49.912 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | LYS | 1 | 0.908 | 0.967 | 54.397 | 5.583 | 5.583 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | ASN | 0 | -0.057 | -0.032 | 57.708 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | LYS | 1 | 0.841 | 0.914 | 57.827 | 5.311 | 5.311 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | HIS | 0 | -0.043 | -0.031 | 55.999 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | MET | 0 | -0.011 | 0.005 | 50.348 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | ASN | 0 | -0.019 | 0.007 | 51.636 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | ALA | 0 | 0.058 | 0.017 | 49.535 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | ASP | -1 | -0.901 | -0.943 | 47.831 | -6.150 | -6.150 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | THR | 0 | -0.030 | -0.007 | 46.285 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | ASP | -1 | -0.738 | -0.881 | 42.090 | -7.095 | -7.095 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | TYR | 0 | -0.040 | -0.014 | 37.666 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | SER | 0 | 0.008 | 0.000 | 40.956 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | ILE | 0 | -0.038 | -0.014 | 42.834 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | ALA | 0 | -0.016 | 0.005 | 44.245 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | GLU | -1 | -0.880 | -0.935 | 40.562 | -7.167 | -7.167 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | ALA | 0 | -0.060 | -0.037 | 44.315 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | ALA | 0 | 0.056 | 0.022 | 46.968 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | PHE | 0 | -0.042 | -0.025 | 46.376 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | ASN | 0 | 0.042 | 0.008 | 43.455 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | LYS | 1 | 0.917 | 0.974 | 47.898 | 6.155 | 6.155 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | GLY | 0 | -0.016 | -0.003 | 51.172 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | GLU | -1 | -0.965 | -0.995 | 52.574 | -5.560 | -5.560 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | THR | 0 | -0.012 | -0.005 | 49.931 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | ALA | 0 | -0.020 | -0.007 | 51.920 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | MET | 0 | -0.002 | 0.002 | 49.440 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | THR | 0 | 0.028 | 0.003 | 44.528 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | ILE | 0 | 0.014 | 0.011 | 41.723 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | ASN | 0 | 0.016 | -0.010 | 38.527 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | GLY | 0 | 0.060 | 0.023 | 36.328 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | PRO | 0 | 0.028 | -0.001 | 34.298 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | TRP | 0 | -0.011 | 0.015 | 32.922 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | ALA | 0 | -0.016 | -0.007 | 34.756 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | TRP | 0 | 0.002 | 0.001 | 37.805 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | SER | 0 | 0.063 | 0.041 | 37.272 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | ASN | 0 | -0.037 | -0.035 | 38.832 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | ILE | 0 | -0.010 | 0.012 | 41.128 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | ASP | -1 | -0.820 | -0.871 | 41.276 | -6.763 | -6.763 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | THR | 0 | -0.136 | -0.074 | 42.171 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | SER | 0 | -0.032 | -0.037 | 44.989 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | LYS | 1 | 0.847 | 0.919 | 46.741 | 6.378 | 6.378 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | VAL | 0 | 0.003 | 0.032 | 48.722 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | ASN | 0 | 0.011 | 0.006 | 49.160 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | TYR | 0 | -0.049 | -0.043 | 43.133 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | GLY | 0 | -0.032 | -0.012 | 47.577 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | VAL | 0 | -0.017 | -0.003 | 41.874 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | THR | 0 | -0.018 | -0.011 | 45.305 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | VAL | 0 | 0.024 | 0.020 | 44.950 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | LEU | 0 | -0.047 | -0.032 | 41.864 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | PRO | 0 | 0.013 | 0.014 | 46.196 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | THR | 0 | -0.031 | -0.003 | 48.465 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | PHE | 0 | 0.024 | 0.002 | 49.740 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | LYS | 1 | 0.845 | 0.912 | 51.414 | 5.717 | 5.717 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | GLY | 0 | -0.025 | -0.012 | 53.661 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | GLN | 0 | -0.035 | -0.008 | 48.525 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | PRO | 0 | -0.014 | -0.015 | 45.364 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | SER | 0 | 0.029 | -0.002 | 44.407 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | LYS | 1 | 0.821 | 0.911 | 40.858 | 6.795 | 6.795 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | PRO | 0 | 0.012 | 0.011 | 38.263 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | PHE | 0 | 0.020 | 0.006 | 33.723 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | VAL | 0 | -0.039 | -0.010 | 32.056 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | GLY | 0 | -0.011 | -0.010 | 29.351 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | VAL | 0 | 0.008 | -0.022 | 26.491 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | LEU | 0 | -0.035 | 0.009 | 22.301 | -0.467 | -0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | SER | 0 | 0.009 | -0.023 | 22.168 | 0.305 | 0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | ALA | 0 | 0.008 | 0.007 | 18.709 | -0.373 | -0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | GLY | 0 | 0.035 | 0.026 | 16.944 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | ILE | 0 | 0.019 | 0.005 | 13.338 | -0.454 | -0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | ASN | 0 | -0.017 | -0.017 | 7.451 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | ALA | 0 | 0.024 | 0.001 | 11.134 | -0.374 | -0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | ALA | 0 | -0.022 | 0.001 | 6.461 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | SER | 0 | -0.069 | -0.060 | 7.164 | -2.573 | -2.573 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | PRO | 0 | 0.007 | 0.016 | 6.978 | 2.349 | 2.349 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | ASN | 0 | 0.024 | 0.010 | 9.365 | 2.410 | 2.410 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | LYS | 1 | 0.853 | 0.896 | 11.492 | 24.934 | 24.934 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | GLU | -1 | -0.877 | -0.943 | 14.638 | -17.230 | -17.230 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | LEU | 0 | 0.005 | 0.006 | 14.042 | 0.939 | 0.939 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | ALA | 0 | -0.007 | -0.009 | 14.348 | 0.770 | 0.770 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | LYS | 1 | 0.906 | 0.964 | 16.396 | 13.247 | 13.247 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | GLU | -1 | -0.865 | -0.919 | 19.631 | -11.249 | -11.249 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | PHE | 0 | -0.020 | -0.017 | 18.553 | 0.567 | 0.567 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | LEU | 0 | -0.026 | -0.030 | 17.753 | 0.559 | 0.559 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | GLU | -1 | -0.816 | -0.880 | 21.465 | -11.297 | -11.297 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | ASN | 0 | -0.057 | -0.032 | 24.213 | 0.798 | 0.798 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | TYR | 0 | -0.057 | -0.018 | 23.020 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | LEU | 0 | -0.023 | -0.008 | 21.537 | 0.293 | 0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | LEU | 0 | -0.024 | -0.005 | 24.558 | 0.395 | 0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | THR | 0 | -0.011 | -0.005 | 26.828 | 0.306 | 0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | ASP | -1 | -0.759 | -0.867 | 29.813 | -8.413 | -8.413 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | GLU | -1 | -0.941 | -0.976 | 30.965 | -8.753 | -8.753 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | GLY | 0 | -0.011 | 0.002 | 27.141 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | LEU | 0 | -0.018 | -0.028 | 26.769 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | GLU | -1 | -0.938 | -0.955 | 28.910 | -8.109 | -8.109 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | ALA | 0 | -0.008 | -0.006 | 27.734 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | VAL | 0 | -0.068 | -0.031 | 24.859 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | ASN | 0 | 0.039 | 0.020 | 27.472 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | LYS | 1 | 0.917 | 0.955 | 30.756 | 8.225 | 8.225 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | ASP | -1 | -0.862 | -0.914 | 26.396 | -9.930 | -9.930 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | LYS | 1 | 0.864 | 0.925 | 27.177 | 9.875 | 9.875 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | PRO | 0 | -0.009 | 0.002 | 29.608 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | LEU | 0 | -0.009 | -0.021 | 26.500 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | GLY | 0 | -0.022 | 0.006 | 30.392 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | ALA | 0 | 0.037 | 0.025 | 33.703 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | VAL | 0 | -0.013 | -0.016 | 30.526 | -0.353 | -0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 303 | ALA | 0 | 0.011 | -0.016 | 29.124 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 304 | LEU | 0 | -0.038 | -0.016 | 30.069 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 305 | LYS | 1 | 0.865 | 0.933 | 32.059 | 8.237 | 8.237 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 306 | SER | 0 | -0.021 | -0.046 | 34.877 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 307 | TYR | 0 | 0.086 | 0.047 | 32.289 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 308 | GLU | -1 | -0.822 | -0.914 | 35.134 | -7.831 | -7.831 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 309 | GLU | -1 | -0.973 | -0.984 | 36.474 | -7.165 | -7.165 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 310 | GLU | -1 | -0.990 | -0.989 | 37.921 | -7.450 | -7.450 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 311 | LEU | 0 | 0.015 | -0.015 | 33.697 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 312 | ALA | 0 | -0.025 | -0.004 | 38.394 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 313 | LYS | 1 | 0.860 | 0.928 | 40.969 | 6.819 | 6.819 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 314 | ASP | -1 | -0.826 | -0.890 | 40.900 | -6.820 | -6.820 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 315 | PRO | 0 | 0.013 | -0.011 | 42.285 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 316 | ARG | 1 | 0.875 | 0.925 | 39.935 | 7.083 | 7.083 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 317 | ILE | 0 | -0.008 | 0.017 | 36.526 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 318 | ALA | 0 | 0.029 | 0.012 | 39.334 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 319 | ALA | 0 | -0.027 | -0.008 | 41.902 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 320 | THR | 0 | -0.022 | -0.012 | 35.878 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 321 | MET | 0 | 0.022 | 0.023 | 34.668 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 322 | GLU | -1 | -0.931 | -0.965 | 38.468 | -6.549 | -6.549 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 323 | ASN | 0 | -0.026 | -0.034 | 40.239 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 324 | ALA | 0 | -0.009 | -0.011 | 35.518 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 325 | GLN | 0 | -0.069 | -0.030 | 37.352 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 326 | LYS | 1 | 0.874 | 0.944 | 39.115 | 6.620 | 6.620 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 327 | GLY | 0 | -0.006 | 0.001 | 38.297 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 328 | GLU | -1 | -0.823 | -0.907 | 35.911 | -8.119 | -8.119 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 329 | ILE | 0 | 0.018 | 0.006 | 30.542 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 330 | MET | 0 | -0.032 | -0.004 | 29.692 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 331 | PRO | 0 | 0.042 | 0.016 | 29.595 | -0.322 | -0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 332 | ASN | 0 | -0.022 | -0.002 | 24.686 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 333 | ILE | 0 | -0.001 | 0.016 | 24.853 | -0.560 | -0.560 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 334 | PRO | 0 | 0.037 | -0.001 | 23.847 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 335 | GLN | 0 | 0.029 | 0.000 | 26.003 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 336 | MET | 0 | 0.008 | 0.022 | 29.036 | 0.472 | 0.472 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 337 | SER | 0 | -0.041 | -0.004 | 28.403 | 0.401 | 0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 338 | ALA | 0 | 0.033 | 0.015 | 30.407 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 339 | PHE | 0 | 0.021 | 0.015 | 33.385 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 340 | TRP | 0 | 0.017 | -0.007 | 30.172 | 0.440 | 0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 341 | TYR | 0 | 0.002 | -0.006 | 34.430 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 342 | ALA | 0 | -0.019 | -0.019 | 36.104 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 343 | VAL | 0 | 0.078 | 0.036 | 38.423 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 344 | ARG | 1 | 0.899 | 0.936 | 35.012 | 8.333 | 8.333 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 345 | THR | 0 | -0.072 | -0.033 | 40.134 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 346 | ALA | 0 | 0.018 | 0.016 | 42.373 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 347 | VAL | 0 | 0.025 | 0.010 | 43.038 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 348 | ILE | 0 | -0.012 | 0.001 | 42.285 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 349 | ASN | 0 | -0.054 | -0.052 | 45.660 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 350 | ALA | 0 | 0.024 | 0.016 | 47.975 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 351 | ALA | 0 | -0.023 | -0.006 | 48.952 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 352 | SER | 0 | -0.067 | -0.025 | 50.382 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 353 | GLY | 0 | 0.012 | -0.007 | 52.141 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 354 | ARG | 1 | 0.828 | 0.930 | 48.263 | 6.362 | 6.362 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 355 | GLN | 0 | 0.007 | 0.005 | 47.924 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 356 | THR | 0 | -0.006 | -0.002 | 52.245 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 357 | VAL | 0 | 0.041 | 0.001 | 50.056 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 358 | ASP | -1 | -0.943 | -0.976 | 49.849 | -5.966 | -5.966 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 359 | GLU | -1 | -0.874 | -0.938 | 50.143 | -5.943 | -5.943 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 360 | ALA | 0 | -0.061 | -0.011 | 47.171 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 361 | LEU | 0 | -0.057 | -0.049 | 44.554 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 362 | ALA | 0 | 0.039 | 0.042 | 45.645 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 363 | MET | 0 | -0.050 | -0.015 | 40.020 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 807 | ASP | -1 | -0.879 | -0.940 | 44.537 | -6.898 | -6.898 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 808 | GLY | 0 | 0.060 | 0.004 | 43.336 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 809 | HIS | 0 | -0.027 | -0.014 | 41.724 | -0.370 | -0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 810 | TRP | 0 | 0.007 | 0.009 | 38.555 | -0.376 | -0.376 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 811 | PHE | 0 | 0.043 | 0.010 | 38.183 | -0.291 | -0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 812 | LEU | 0 | 0.006 | 0.007 | 37.477 | -0.295 | -0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 813 | LYS | 1 | 0.871 | 0.943 | 35.346 | 7.595 | 7.595 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 814 | LEU | 0 | 0.018 | 0.006 | 33.614 | -0.361 | -0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 815 | LEU | 0 | -0.023 | -0.008 | 32.795 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 816 | GLN | 0 | -0.025 | -0.012 | 30.792 | -0.445 | -0.445 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 817 | ALA | 0 | 0.033 | 0.024 | 29.096 | -0.370 | -0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 818 | GLU | -1 | -0.776 | -0.878 | 27.908 | -11.053 | -11.053 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 819 | ARG | 1 | 0.898 | 0.958 | 27.722 | 9.747 | 9.747 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 820 | ASP | -1 | -0.850 | -0.926 | 25.148 | -11.792 | -11.792 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 821 | ARG | 1 | 0.790 | 0.904 | 23.216 | 11.156 | 11.156 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 822 | MET | 0 | -0.008 | 0.004 | 22.602 | -0.497 | -0.497 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 823 | GLU | -1 | -0.933 | -0.975 | 22.846 | -12.452 | -12.452 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 824 | GLY | 0 | -0.011 | 0.001 | 19.875 | -0.721 | -0.721 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 825 | TRP | 0 | -0.007 | -0.012 | 18.319 | -0.887 | -0.887 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 826 | CYS | 0 | -0.024 | -0.004 | 18.241 | -0.744 | -0.744 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 827 | LYS | 1 | 0.947 | 0.985 | 14.773 | 18.569 | 18.569 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 828 | GLN | 0 | -0.084 | -0.049 | 13.543 | -0.865 | -0.865 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 829 | MET | 0 | 0.073 | 0.034 | 13.815 | -1.874 | -1.874 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 830 | GLU | -1 | -0.875 | -0.937 | 15.211 | -16.794 | -16.794 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 831 | ARG | 1 | 0.827 | 0.897 | 10.393 | 25.033 | 25.033 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 832 | GLU | -1 | -0.799 | -0.913 | 9.683 | -31.554 | -31.554 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 833 | GLU | -1 | -0.876 | -0.930 | 11.391 | -17.668 | -17.668 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 834 | ARG | 1 | 0.828 | 0.935 | 13.225 | 21.930 | 21.930 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 835 | GLU | -1 | -0.965 | -0.976 | 8.223 | -30.134 | -30.134 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 836 | ASN | 0 | -0.046 | -0.018 | 6.798 | -2.514 | -2.514 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 837 | ASN | 0 | -0.010 | -0.003 | 9.442 | 2.998 | 2.998 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 838 | LEU | 0 | -0.013 | -0.001 | 11.560 | 1.191 | 1.191 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 839 | PRO | 0 | 0.045 | -0.006 | 13.525 | 0.981 | 0.981 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 840 | GLU | -1 | -0.963 | -0.977 | 17.082 | -15.963 | -15.963 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 841 | ASP | -1 | -0.905 | -0.951 | 20.366 | -13.746 | -13.746 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 842 | ILE | 0 | -0.011 | 0.003 | 15.157 | 0.578 | 0.578 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 843 | LEU | 0 | 0.060 | 0.047 | 16.037 | 0.291 | 0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 844 | GLY | 0 | -0.013 | 0.000 | 18.933 | 0.510 | 0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 845 | LYS | 1 | 0.922 | 0.943 | 20.339 | 14.181 | 14.181 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 846 | ILE | 0 | 0.066 | 0.038 | 15.376 | 0.456 | 0.456 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 847 | ARG | 1 | 0.854 | 0.920 | 19.953 | 15.107 | 15.107 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 848 | THR | 0 | -0.063 | -0.003 | 22.528 | 0.644 | 0.644 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 849 | ALA | 0 | 0.004 | 0.013 | 21.811 | 0.519 | 0.519 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 850 | VAL | 0 | 0.047 | 0.010 | 20.118 | 0.399 | 0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 851 | GLY | 0 | 0.010 | 0.007 | 23.331 | 0.451 | 0.451 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 852 | SER | 0 | -0.105 | -0.061 | 26.431 | 0.513 | 0.513 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 853 | ALA | 0 | 0.052 | 0.013 | 25.374 | 0.431 | 0.431 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 854 | GLN | 0 | 0.050 | 0.015 | 23.563 | 0.532 | 0.532 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 855 | LEU | 0 | -0.015 | 0.012 | 27.950 | 0.395 | 0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 856 | LEU | 0 | -0.019 | -0.006 | 30.813 | 0.423 | 0.423 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 857 | MET | 0 | -0.012 | -0.015 | 25.740 | 0.387 | 0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 858 | ALA | 0 | -0.016 | -0.015 | 31.542 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 859 | GLN | 0 | -0.040 | -0.015 | 33.084 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 860 | LYS | 1 | 0.996 | 0.985 | 35.601 | 8.769 | 8.769 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 861 | PHE | 0 | 0.012 | 0.016 | 30.703 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 862 | TYR | 0 | -0.045 | -0.012 | 35.376 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 863 | GLN | 0 | 0.016 | -0.005 | 37.358 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 864 | PHE | 0 | 0.010 | 0.010 | 38.026 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 865 | ARG | 1 | 0.981 | 0.983 | 35.155 | 8.782 | 8.782 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 866 | GLU | -1 | -0.878 | -0.945 | 39.649 | -7.342 | -7.342 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 867 | LEU | 0 | 0.003 | 0.014 | 42.931 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 868 | CYS | 0 | -0.060 | -0.027 | 41.454 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 869 | GLU | -1 | -0.946 | -0.984 | 41.991 | -7.446 | -7.446 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 870 | GLU | -1 | -0.939 | -0.961 | 45.138 | -6.509 | -6.509 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 871 | ASN | 0 | -0.107 | -0.064 | 46.731 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 872 | LEU | 0 | -0.037 | -0.023 | 44.247 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 873 | ASN | 0 | -0.024 | -0.006 | 48.697 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 874 | PRO | 0 | -0.059 | -0.036 | 51.690 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 875 | ASN | 0 | -0.070 | -0.043 | 55.022 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 876 | ALA | 0 | -0.036 | -0.042 | 54.628 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 877 | HIS | 0 | 0.006 | 0.055 | 52.293 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 878 | PRO | 0 | 0.016 | -0.012 | 52.692 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 879 | ARG | 1 | 0.964 | 0.983 | 51.817 | 5.997 | 5.997 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 880 | PRO | 0 | 0.007 | 0.033 | 47.918 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 881 | THR | 0 | -0.009 | -0.001 | 50.009 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 882 | SER | 0 | 0.049 | 0.012 | 47.369 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 883 | GLN | 0 | 0.041 | 0.010 | 46.668 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 884 | ASP | -1 | -0.813 | -0.889 | 47.414 | -6.467 | -6.467 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 885 | LEU | 0 | -0.054 | -0.021 | 43.647 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 886 | ALA | 0 | 0.045 | 0.024 | 43.036 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 887 | GLY | 0 | 0.029 | 0.029 | 42.833 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 888 | PHE | 0 | -0.032 | -0.031 | 41.848 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 889 | TRP | 0 | -0.023 | -0.011 | 33.994 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 890 | ASP | -1 | -0.854 | -0.947 | 38.228 | -8.053 | -8.053 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 891 | MET | 0 | -0.081 | -0.033 | 38.993 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 892 | LEU | 0 | -0.064 | -0.044 | 34.756 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 893 | GLN | 0 | 0.035 | -0.013 | 32.688 | -0.485 | -0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 894 | LEU | 0 | -0.015 | 0.021 | 33.750 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 895 | SER | 0 | -0.056 | -0.035 | 32.492 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 896 | ILE | 0 | -0.012 | -0.009 | 29.081 | -0.354 | -0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 897 | GLU | -1 | -0.893 | -0.945 | 29.050 | -10.505 | -10.505 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 898 | ASN | 0 | -0.022 | -0.010 | 29.180 | -0.391 | -0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 899 | ILE | 0 | -0.028 | -0.034 | 25.836 | -0.362 | -0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 900 | SER | 0 | 0.015 | -0.003 | 25.146 | -0.546 | -0.546 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 901 | MET | 0 | -0.024 | -0.002 | 24.479 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 902 | LYS | 1 | 0.901 | 0.974 | 24.139 | 11.220 | 11.220 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 903 | PHE | 0 | 0.019 | -0.006 | 19.480 | -0.510 | -0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 904 | ASP | -1 | -0.860 | -0.918 | 19.832 | -14.656 | -14.656 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 905 | GLU | -1 | -0.991 | -1.002 | 20.424 | -13.632 | -13.632 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 906 | LEU | 0 | -0.048 | -0.032 | 17.407 | -0.482 | -0.482 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 907 | HIS | 0 | 0.102 | 0.043 | 15.857 | -1.971 | -1.971 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 908 | GLN | 0 | -0.154 | -0.049 | 15.963 | -0.580 | -0.580 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 909 | LEU | 0 | -0.094 | -0.054 | 15.753 | 0.340 | 0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 910 | LYS | 1 | 0.871 | 0.943 | 8.518 | 30.300 | 30.300 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 911 | ALA | 0 | 0.039 | 0.013 | 9.643 | 0.667 | 0.667 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 912 | ASN | 0 | -0.035 | -0.016 | 11.733 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |