![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 769ZK
Calculation Name: 2VK9-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2VK9
Chain ID: A
UniProt ID: Q46149
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 | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 540 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -11507270.829399 |
---|---|
FMO2-HF: Nuclear repulsion | 11288364.930182 |
FMO2-HF: Total energy | -218905.899218 |
FMO2-MP2: Total energy | -219548.201856 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F038394/ligand_interaction/ligand_F038394.png)
Ligand Interaction
![ligand interaction](./Kdata/F038394/ligand_interaction/ligand_interaction_F038394.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:2:LEU)
Summations of interaction energy for
fragment #1(A:2:LEU)
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. |
-19.16 | -8.5 | 8.241 | -7.858 | -11.042 | -0.074 |
Interaction energy analysis for fragmet #1(A:2:LEU)
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 | 4 | THR | 0 | -0.019 | -0.009 | 2.813 | -2.935 | -0.042 | 0.655 | -1.678 | -1.870 | -0.008 |
4 | A | 5 | ARG | 1 | 1.047 | 1.028 | 5.102 | 0.598 | 0.757 | -0.001 | -0.007 | -0.151 | 0.000 |
5 | A | 6 | GLU | -1 | -0.644 | -0.807 | 6.462 | -0.407 | -0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 7 | GLN | 0 | -0.075 | -0.072 | 9.225 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 8 | LEU | 0 | -0.048 | -0.012 | 7.880 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 9 | MET | 0 | 0.040 | 0.033 | 9.811 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 10 | LYS | 1 | 0.745 | 0.856 | 11.338 | 0.563 | 0.563 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 11 | ILE | 0 | 0.026 | 0.026 | 13.122 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 12 | ALA | 0 | 0.023 | 0.013 | 15.426 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 13 | SER | 0 | -0.048 | -0.031 | 17.262 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 14 | ILE | 0 | -0.009 | 0.000 | 19.713 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 15 | PRO | 0 | 0.042 | 0.011 | 23.130 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 16 | LEU | 0 | -0.003 | -0.001 | 25.636 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 17 | LYS | 1 | 0.842 | 0.948 | 23.937 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 18 | ARG | 1 | 0.989 | 0.989 | 23.715 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 19 | LYS | 1 | 0.966 | 1.004 | 17.455 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 20 | GLU | -1 | -0.725 | -0.819 | 21.768 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 21 | PRO | 0 | -0.012 | -0.004 | 20.729 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 22 | GLU | -1 | -0.662 | -0.826 | 19.504 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 23 | TYR | 0 | 0.002 | -0.002 | 15.292 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 24 | ASN | 0 | -0.031 | -0.034 | 15.910 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 25 | LEU | 0 | 0.072 | 0.045 | 15.316 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 26 | ILE | 0 | -0.008 | 0.013 | 11.940 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 27 | LEU | 0 | -0.057 | -0.027 | 11.218 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 28 | ASP | -1 | -0.878 | -0.938 | 10.896 | -0.298 | -0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 29 | ALA | 0 | -0.006 | -0.001 | 10.940 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 30 | LEU | 0 | -0.016 | -0.001 | 5.361 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 31 | GLU | -1 | -0.928 | -0.969 | 6.249 | -0.454 | -0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 32 | ASN | 0 | -0.038 | -0.019 | 7.450 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 33 | PHE | 0 | 0.013 | 0.010 | 2.675 | -0.815 | -0.034 | 0.360 | -0.191 | -0.950 | 0.001 |
33 | A | 34 | ASN | 0 | -0.105 | -0.082 | 2.576 | -2.146 | -0.485 | 0.526 | -0.816 | -1.370 | -0.003 |
34 | A | 35 | ARG | 1 | 0.774 | 0.863 | 3.649 | -0.039 | 0.303 | 0.010 | -0.018 | -0.334 | -0.001 |
35 | A | 36 | ASP | -1 | -0.846 | -0.889 | 6.169 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 37 | ILE | 0 | -0.007 | -0.016 | 2.443 | -0.893 | -0.337 | 1.247 | -0.253 | -1.550 | -0.001 |
37 | A | 38 | GLU | -1 | -0.874 | -0.922 | 6.367 | 0.914 | 0.914 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 39 | GLY | 0 | -0.049 | -0.032 | 9.204 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 40 | THR | 0 | -0.024 | -0.005 | 9.037 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 41 | SER | 0 | 0.016 | -0.001 | 12.440 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 42 | VAL | 0 | 0.046 | 0.014 | 11.692 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 43 | LYS | 1 | 0.854 | 0.915 | 12.063 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 44 | GLU | -1 | -0.830 | -0.894 | 12.269 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 45 | ILE | 0 | 0.001 | 0.009 | 6.629 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 46 | TYR | 0 | 0.001 | -0.025 | 8.994 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 47 | SER | 0 | -0.056 | -0.043 | 11.268 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 48 | LYS | 1 | 0.887 | 0.940 | 8.675 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 49 | LEU | 0 | 0.002 | 0.004 | 5.887 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 50 | SER | 0 | 0.010 | 0.003 | 9.281 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 51 | LYS | 1 | 0.898 | 0.950 | 12.503 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 52 | LEU | 0 | -0.006 | 0.005 | 6.992 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 53 | ASN | 0 | 0.032 | 0.016 | 11.367 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 54 | GLU | -1 | -0.914 | -0.954 | 13.697 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 55 | LEU | 0 | -0.020 | -0.010 | 13.387 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 56 | VAL | 0 | -0.017 | -0.005 | 13.521 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 57 | ASP | -1 | -0.806 | -0.891 | 16.373 | -0.387 | -0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 58 | ASN | 0 | -0.065 | -0.025 | 19.275 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 59 | TYR | 0 | -0.053 | -0.037 | 18.728 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 60 | GLN | 0 | -0.050 | -0.038 | 19.237 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 61 | THR | 0 | -0.038 | -0.027 | 21.982 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 62 | LYS | 1 | 0.780 | 0.895 | 24.094 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 63 | TYR | 0 | -0.078 | -0.060 | 22.787 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 64 | PRO | 0 | 0.091 | 0.059 | 24.935 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 65 | SER | 0 | -0.026 | -0.017 | 26.414 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 66 | SER | 0 | -0.047 | -0.034 | 22.577 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 67 | GLY | 0 | 0.044 | 0.010 | 23.474 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 68 | ARG | 1 | 0.743 | 0.839 | 18.767 | 0.312 | 0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 69 | ASN | 0 | -0.002 | -0.012 | 18.491 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 70 | LEU | 0 | 0.063 | 0.036 | 18.915 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 71 | ALA | 0 | -0.023 | -0.004 | 15.891 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 72 | LEU | 0 | 0.011 | -0.013 | 14.002 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 73 | GLU | -1 | -0.805 | -0.864 | 14.581 | -0.621 | -0.621 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 74 | ASN | 0 | -0.014 | -0.020 | 13.865 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 75 | PHE | 0 | -0.006 | 0.002 | 7.311 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 76 | ARG | 1 | 0.830 | 0.897 | 10.416 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 77 | ASP | -1 | -0.848 | -0.932 | 11.883 | -0.861 | -0.861 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 78 | SER | 0 | -0.107 | -0.065 | 7.174 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 79 | LEU | 0 | 0.028 | 0.016 | 7.125 | -0.541 | -0.541 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 80 | TYR | 0 | 0.036 | 0.017 | 8.853 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 81 | SER | 0 | -0.074 | -0.053 | 6.946 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 82 | GLU | -1 | -0.794 | -0.908 | 2.380 | -13.158 | -8.890 | 5.444 | -4.895 | -4.817 | -0.062 |
82 | A | 83 | LEU | 0 | -0.027 | -0.001 | 5.655 | 0.763 | 0.763 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 84 | ARG | 1 | 0.845 | 0.930 | 8.660 | 0.818 | 0.818 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 85 | GLU | -1 | -0.779 | -0.875 | 5.019 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 86 | LEU | 0 | -0.003 | 0.019 | 7.403 | 0.366 | 0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 87 | ILE | 0 | -0.009 | 0.019 | 8.929 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 88 | LYS | 1 | 0.764 | 0.861 | 9.405 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 89 | ASN | 0 | -0.019 | -0.013 | 7.867 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 90 | SER | 0 | 0.014 | 0.000 | 11.457 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 91 | ARG | 1 | 0.779 | 0.895 | 14.021 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 92 | THR | 0 | 0.036 | 0.015 | 14.648 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 93 | SER | 0 | -0.075 | -0.041 | 17.023 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 94 | THR | 0 | 0.010 | 0.013 | 18.227 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 95 | ILE | 0 | 0.006 | -0.017 | 21.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 96 | ALA | 0 | 0.006 | 0.020 | 23.700 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 97 | SER | 0 | -0.007 | -0.012 | 25.839 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 98 | LYS | 1 | 0.835 | 0.922 | 29.103 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 99 | ASN | 0 | -0.013 | -0.002 | 31.989 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 100 | LEU | 0 | 0.008 | 0.011 | 32.687 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 101 | SER | 0 | -0.025 | -0.008 | 34.943 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 102 | PHE | 0 | 0.044 | 0.021 | 36.410 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 103 | ILE | 0 | -0.007 | -0.012 | 37.740 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 104 | TRP | 0 | -0.038 | -0.021 | 41.241 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 105 | ILE | 0 | 0.013 | 0.002 | 43.481 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 106 | GLY | 0 | 0.044 | 0.014 | 46.840 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 107 | GLY | 0 | -0.010 | -0.004 | 49.895 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 108 | PRO | 0 | -0.005 | 0.012 | 50.931 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 109 | ILE | 0 | 0.035 | 0.027 | 46.323 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 110 | SER | 0 | 0.036 | 0.025 | 48.230 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 111 | ASP | -1 | -0.805 | -0.914 | 49.514 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 112 | GLN | 0 | -0.004 | 0.007 | 47.600 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 113 | SER | 0 | 0.034 | 0.010 | 45.300 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 114 | LEU | 0 | -0.016 | -0.001 | 45.455 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 115 | GLU | -1 | -0.754 | -0.862 | 47.128 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 116 | TYR | 0 | -0.043 | -0.064 | 41.906 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 117 | TYR | 0 | 0.005 | -0.003 | 41.710 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 118 | ASN | 0 | 0.000 | -0.003 | 42.972 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 119 | MET | 0 | 0.022 | 0.025 | 41.031 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 120 | TRP | 0 | -0.020 | -0.028 | 33.937 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 121 | LYS | 1 | 0.943 | 0.971 | 39.504 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 122 | MET | 0 | -0.063 | -0.014 | 42.038 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 123 | PHE | 0 | 0.013 | 0.004 | 37.983 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 124 | ASN | 0 | -0.011 | 0.000 | 34.964 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 125 | LYS | 1 | 0.918 | 0.942 | 37.382 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 126 | ASP | -1 | -0.828 | -0.900 | 33.483 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 127 | TYR | 0 | -0.049 | -0.042 | 29.744 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 128 | ASN | 0 | -0.046 | -0.023 | 35.837 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 129 | ILE | 0 | -0.023 | -0.010 | 37.387 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 130 | ARG | 1 | 0.857 | 0.923 | 36.529 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 131 | LEU | 0 | 0.014 | 0.004 | 40.253 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 132 | PHE | 0 | -0.002 | 0.005 | 38.498 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 133 | TYR | 0 | 0.049 | 0.007 | 42.928 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 134 | ASP | -1 | -0.710 | -0.819 | 46.210 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 135 | LYS | 1 | 0.938 | 0.975 | 48.234 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 136 | ASN | 0 | -0.048 | -0.027 | 50.776 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 137 | SER | 0 | -0.074 | -0.071 | 48.858 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 138 | LEU | 0 | 0.007 | 0.008 | 50.614 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 139 | LEU | 0 | -0.035 | -0.012 | 53.135 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 140 | VAL | 0 | 0.028 | 0.019 | 49.658 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 141 | ASN | 0 | 0.014 | 0.008 | 51.343 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 142 | THR | 0 | -0.026 | -0.015 | 52.738 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 143 | LEU | 0 | 0.010 | 0.009 | 53.483 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 144 | LYS | 1 | 0.888 | 0.948 | 48.519 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 145 | THR | 0 | -0.029 | -0.029 | 54.133 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 146 | ALA | 0 | 0.018 | 0.016 | 56.562 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 147 | ILE | 0 | -0.010 | -0.001 | 55.175 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 148 | ILE | 0 | -0.017 | 0.008 | 52.911 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 149 | GLN | 0 | 0.028 | 0.006 | 57.504 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 150 | GLU | -1 | -0.787 | -0.862 | 60.786 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 151 | SER | 0 | -0.023 | -0.039 | 59.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 152 | SER | 0 | -0.031 | -0.043 | 59.970 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 153 | LYS | 1 | 0.883 | 0.946 | 62.108 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 154 | VAL | 0 | 0.014 | 0.015 | 65.197 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 155 | ILE | 0 | 0.001 | 0.003 | 62.361 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 156 | ILE | 0 | 0.003 | 0.003 | 63.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 157 | GLU | -1 | -0.798 | -0.879 | 67.035 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 158 | GLN | 0 | -0.025 | -0.007 | 67.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 159 | ASN | 0 | -0.052 | -0.035 | 67.510 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 160 | GLN | 0 | -0.008 | -0.004 | 70.487 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 161 | SER | 0 | 0.033 | 0.006 | 72.492 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 162 | ASN | 0 | -0.021 | -0.020 | 69.620 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 163 | ILE | 0 | -0.031 | -0.004 | 68.208 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 164 | LEU | 0 | -0.023 | -0.001 | 68.790 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 165 | ASP | -1 | -0.874 | -0.955 | 65.621 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 166 | GLY | 0 | -0.030 | -0.012 | 67.717 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 167 | THR | 0 | -0.021 | -0.006 | 67.383 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 168 | TYR | 0 | -0.070 | -0.064 | 63.647 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 169 | GLY | 0 | 0.091 | 0.065 | 63.553 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 170 | HIS | 0 | -0.053 | -0.038 | 55.355 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 171 | ASN | 0 | 0.001 | 0.008 | 56.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 172 | LYS | 1 | 0.893 | 0.954 | 58.680 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 173 | PHE | 0 | 0.015 | -0.004 | 59.171 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 174 | TYR | 0 | 0.002 | -0.014 | 55.286 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 175 | SER | 0 | -0.009 | -0.009 | 56.538 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 176 | ASP | -1 | -0.771 | -0.855 | 57.518 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 177 | ARG | 1 | 0.882 | 0.947 | 55.038 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 178 | MET | 0 | -0.019 | 0.007 | 52.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 179 | LYS | 1 | 0.875 | 0.935 | 56.646 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 180 | LEU | 0 | -0.018 | 0.015 | 59.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 181 | ILE | 0 | 0.000 | -0.005 | 54.426 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 182 | TYR | 0 | -0.041 | -0.039 | 53.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 183 | ARG | 1 | 0.880 | 0.926 | 56.445 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 184 | TYR | 0 | 0.019 | 0.003 | 58.395 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 185 | LYS | 1 | 0.853 | 0.943 | 50.340 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 186 | ARG | 1 | 0.852 | 0.928 | 55.285 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 187 | GLU | -1 | -0.843 | -0.912 | 56.561 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 188 | LEU | 0 | -0.007 | 0.012 | 54.583 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 189 | LYS | 1 | 0.887 | 0.927 | 49.755 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 190 | MET | 0 | -0.026 | -0.010 | 55.109 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 191 | LEU | 0 | -0.002 | 0.012 | 58.136 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 192 | TYR | 0 | 0.018 | -0.003 | 50.223 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 193 | GLU | -1 | -0.840 | -0.913 | 51.990 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 194 | ASN | 0 | -0.043 | -0.027 | 55.296 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 195 | MET | 0 | -0.007 | 0.001 | 57.447 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 196 | LYS | 1 | 0.836 | 0.918 | 51.064 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 197 | GLN | 0 | -0.042 | -0.016 | 52.841 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 198 | ASN | 0 | -0.022 | -0.012 | 55.554 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 199 | ASN | 0 | -0.052 | -0.013 | 56.824 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 200 | SER | 0 | -0.013 | -0.012 | 54.283 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 201 | VAL | 0 | 0.033 | -0.007 | 50.576 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 202 | ASP | -1 | -0.692 | -0.858 | 53.984 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 203 | ASP | -1 | -0.843 | -0.897 | 56.433 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 204 | ILE | 0 | -0.004 | 0.010 | 55.300 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 205 | ILE | 0 | -0.016 | 0.002 | 54.011 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 206 | ILE | 0 | -0.012 | -0.009 | 58.456 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 207 | ASN | 0 | -0.007 | 0.021 | 61.621 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 208 | PHE | 0 | 0.065 | 0.023 | 59.495 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 209 | LEU | 0 | -0.014 | -0.010 | 59.353 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 210 | SER | 0 | -0.051 | -0.033 | 63.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 211 | ASN | 0 | -0.035 | -0.038 | 65.523 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 212 | TYR | 0 | -0.078 | -0.052 | 63.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 213 | PHE | 0 | -0.046 | -0.030 | 60.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 214 | LYS | 1 | 0.920 | 0.973 | 66.624 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 215 | TYR | 0 | -0.060 | -0.054 | 62.119 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 216 | ASP | -1 | -0.824 | -0.903 | 66.935 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 217 | ILE | 0 | 0.081 | 0.033 | 66.098 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 218 | GLY | 0 | 0.021 | 0.021 | 65.939 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 219 | LYS | 1 | 0.906 | 0.923 | 65.406 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 220 | LEU | 0 | -0.007 | 0.009 | 61.011 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 221 | ASN | 0 | 0.023 | -0.008 | 61.303 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 222 | ASN | 0 | -0.026 | 0.000 | 62.070 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 223 | GLN | 0 | 0.029 | 0.026 | 58.775 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 224 | LYS | 1 | 0.897 | 0.973 | 57.298 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 225 | GLU | -1 | -0.782 | -0.879 | 57.322 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 226 | ASN | 0 | -0.054 | -0.027 | 58.587 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 227 | ASN | 0 | -0.029 | -0.031 | 54.086 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 228 | ASN | 0 | 0.010 | -0.011 | 53.921 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 229 | ASN | 0 | -0.048 | -0.043 | 54.127 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 230 | LYS | 1 | 0.810 | 0.902 | 52.822 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 231 | MET | 0 | -0.014 | -0.003 | 47.254 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 232 | ILE | 0 | 0.000 | -0.004 | 50.437 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 233 | ALA | 0 | -0.035 | -0.015 | 52.278 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 234 | ILE | 0 | -0.039 | -0.012 | 47.991 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 235 | GLY | 0 | -0.031 | -0.017 | 47.934 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 236 | ALA | 0 | -0.032 | -0.001 | 46.017 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 237 | THR | 0 | -0.002 | -0.013 | 43.113 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 238 | ASP | -1 | -0.792 | -0.903 | 45.077 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 239 | ILE | 0 | -0.022 | -0.024 | 42.490 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 240 | ASN | 0 | -0.122 | -0.073 | 44.764 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 241 | THR | 0 | -0.036 | -0.010 | 47.406 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 242 | GLU | -1 | -0.729 | -0.831 | 40.933 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 243 | ASN | 0 | -0.051 | -0.013 | 40.743 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 244 | ILE | 0 | 0.009 | 0.017 | 37.984 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 245 | LEU | 0 | 0.037 | 0.024 | 38.406 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 246 | THR | 0 | 0.029 | -0.001 | 37.421 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 247 | ASN | 0 | 0.025 | 0.002 | 37.487 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 248 | LYS | 1 | 0.871 | 0.937 | 34.829 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 249 | LEU | 0 | 0.055 | 0.033 | 34.124 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 250 | LYS | 1 | 0.896 | 0.947 | 38.394 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 251 | SER | 0 | -0.021 | -0.010 | 41.812 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 252 | TYR | 0 | -0.009 | -0.045 | 36.218 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 253 | TYR | 0 | -0.030 | -0.030 | 41.485 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 254 | TYR | 0 | 0.034 | 0.000 | 42.862 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 255 | GLN | 0 | 0.015 | 0.008 | 43.220 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 256 | GLU | -1 | -0.734 | -0.811 | 41.908 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 257 | LEU | 0 | -0.039 | -0.011 | 45.290 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 258 | ILE | 0 | -0.034 | -0.008 | 48.122 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 259 | GLN | 0 | -0.024 | -0.002 | 47.886 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 260 | THR | 0 | -0.025 | -0.054 | 45.170 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 261 | ASN | 0 | -0.028 | -0.027 | 48.291 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 262 | ASN | 0 | 0.003 | 0.007 | 42.653 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 263 | LEU | 0 | 0.054 | 0.006 | 44.117 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 264 | ALA | 0 | 0.015 | 0.024 | 40.874 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 265 | ALA | 0 | 0.034 | 0.026 | 39.464 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 266 | ALA | 0 | 0.002 | -0.003 | 39.593 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 267 | SER | 0 | 0.044 | 0.021 | 39.903 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 268 | ASP | -1 | -0.789 | -0.857 | 35.654 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 269 | ILE | 0 | -0.040 | -0.023 | 35.336 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 270 | LEU | 0 | -0.019 | -0.010 | 36.385 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 271 | ARG | 1 | 0.819 | 0.893 | 33.756 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 272 | ILE | 0 | 0.008 | 0.016 | 30.850 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 273 | ALA | 0 | -0.024 | -0.006 | 32.406 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 274 | ILE | 0 | -0.014 | -0.010 | 34.600 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 275 | LEU | 0 | 0.010 | 0.004 | 29.211 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 276 | LYS | 1 | 0.911 | 0.946 | 28.076 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 277 | LYS | 1 | 0.733 | 0.868 | 31.106 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 278 | TYR | 0 | -0.061 | -0.072 | 33.426 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 279 | GLY | 0 | 0.005 | 0.022 | 29.376 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 280 | GLY | 0 | -0.028 | -0.007 | 28.561 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 281 | VAL | 0 | -0.016 | -0.020 | 28.536 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 282 | TYR | 0 | -0.047 | -0.041 | 30.844 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 283 | CYS | 0 | -0.037 | -0.029 | 32.444 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 284 | ASP | -1 | -0.756 | -0.863 | 35.118 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 285 | LEU | 0 | -0.002 | -0.012 | 37.958 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 286 | ASP | -1 | -0.808 | -0.866 | 39.937 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 287 | PHE | 0 | -0.038 | -0.020 | 32.871 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 288 | LEU | 0 | -0.008 | 0.014 | 37.500 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 289 | PRO | 0 | 0.039 | 0.016 | 35.257 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 290 | GLY | 0 | 0.021 | 0.027 | 33.129 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 291 | VAL | 0 | 0.022 | 0.004 | 34.110 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 292 | ASN | 0 | -0.017 | -0.007 | 34.496 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 293 | LEU | 0 | -0.004 | -0.024 | 34.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 294 | SER | 0 | -0.009 | -0.004 | 31.626 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 295 | LEU | 0 | -0.036 | -0.002 | 34.545 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 296 | PHE | 0 | 0.002 | -0.010 | 37.846 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 297 | ASN | 0 | -0.013 | -0.003 | 34.014 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 298 | ASP | -1 | -0.915 | -0.932 | 38.251 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 299 | ILE | 0 | -0.072 | -0.046 | 41.351 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 300 | SER | 0 | 0.016 | 0.007 | 42.524 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 301 | LYS | 1 | 0.862 | 0.943 | 40.683 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 302 | PRO | 0 | 0.037 | 0.022 | 43.628 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 303 | ASN | 0 | 0.004 | -0.005 | 45.602 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 304 | GLY | 0 | 0.012 | -0.001 | 45.449 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 305 | MET | 0 | -0.026 | 0.016 | 44.674 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 306 | ASP | -1 | -0.736 | -0.862 | 40.933 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 307 | SER | 0 | -0.001 | -0.020 | 38.080 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 308 | ASN | 0 | -0.003 | 0.001 | 37.372 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 309 | TYR | 0 | 0.027 | 0.002 | 39.743 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 310 | TRP | 0 | 0.033 | 0.015 | 40.092 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 311 | GLU | -1 | -0.810 | -0.907 | 35.937 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 312 | ALA | 0 | 0.014 | 0.013 | 40.121 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 313 | ALA | 0 | -0.014 | 0.002 | 42.691 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 314 | ILE | 0 | -0.013 | -0.005 | 40.485 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 315 | PHE | 0 | 0.023 | 0.008 | 40.969 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 316 | GLU | -1 | -0.747 | -0.857 | 42.887 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 317 | ALA | 0 | 0.026 | 0.021 | 46.085 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 318 | ILE | 0 | -0.002 | -0.001 | 40.873 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 319 | ALA | 0 | -0.017 | -0.009 | 45.156 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 320 | ASN | 0 | -0.069 | -0.049 | 46.738 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 321 | GLU | -1 | -0.815 | -0.914 | 48.852 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 322 | LYS | 1 | 0.790 | 0.900 | 45.580 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 323 | LYS | 1 | 0.904 | 0.954 | 48.702 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 324 | LEU | 0 | 0.002 | 0.007 | 43.668 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 325 | MET | 0 | -0.088 | -0.034 | 44.603 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 326 | ASN | 0 | -0.042 | -0.035 | 49.437 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 327 | ASN | 0 | -0.068 | -0.032 | 51.641 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 328 | TYR | 0 | 0.027 | 0.005 | 44.113 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 329 | PRO | 0 | 0.044 | 0.028 | 50.201 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 330 | TYR | 0 | 0.058 | -0.002 | 49.572 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 331 | LYS | 1 | 0.948 | 0.982 | 48.896 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 332 | TYR | 0 | -0.041 | -0.030 | 46.410 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 333 | MET | 0 | -0.030 | -0.005 | 47.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 334 | GLU | -1 | -0.919 | -0.951 | 49.743 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 335 | GLN | 0 | -0.056 | -0.023 | 48.299 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 336 | VAL | 0 | -0.036 | -0.014 | 47.807 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 337 | PRO | 0 | 0.035 | 0.028 | 50.776 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 338 | SER | 0 | 0.040 | -0.010 | 52.853 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 339 | GLU | -1 | -0.909 | -0.940 | 53.825 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 340 | ILE | 0 | 0.008 | 0.001 | 47.816 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 341 | LYS | 1 | 0.881 | 0.947 | 49.301 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 342 | GLU | -1 | -0.756 | -0.870 | 50.383 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 343 | ARG | 1 | 0.882 | 0.964 | 45.135 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 344 | ILE | 0 | -0.016 | -0.002 | 44.888 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 345 | LEU | 0 | -0.060 | -0.021 | 47.239 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 346 | SER | 0 | -0.027 | -0.032 | 49.584 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 347 | PHE | 0 | 0.020 | 0.016 | 41.079 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 348 | VAL | 0 | 0.009 | -0.004 | 44.332 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 349 | ARG | 1 | 0.754 | 0.839 | 46.047 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 350 | ASN | 0 | -0.062 | -0.037 | 47.973 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 351 | HIS | 1 | 0.847 | 0.932 | 40.660 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 352 | ASP | -1 | -0.774 | -0.883 | 41.835 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 353 | ILE | 0 | -0.025 | -0.023 | 42.457 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 354 | ASN | 0 | -0.059 | -0.055 | 38.775 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 355 | ASP | -1 | -0.844 | -0.893 | 37.549 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 356 | LEU | 0 | -0.021 | -0.005 | 37.742 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 357 | ILE | 0 | -0.049 | -0.019 | 37.692 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 358 | LEU | 0 | 0.000 | 0.003 | 31.019 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 359 | PRO | 0 | -0.024 | 0.000 | 33.063 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 360 | LEU | 0 | -0.005 | -0.012 | 30.515 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 361 | GLY | 0 | 0.028 | 0.022 | 29.313 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 362 | ASP | -1 | -0.886 | -0.926 | 26.300 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 363 | ILE | 0 | 0.039 | 0.017 | 23.902 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 364 | LYS | 1 | 0.871 | 0.939 | 19.687 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 365 | ILE | 0 | -0.033 | -0.015 | 19.567 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 366 | SER | 0 | 0.014 | 0.005 | 14.904 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 367 | GLN | 0 | 0.032 | 0.001 | 17.024 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 368 | LEU | 0 | 0.021 | 0.001 | 12.596 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 369 | GLU | -1 | -0.800 | -0.868 | 17.164 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 370 | ILE | 0 | -0.014 | 0.013 | 19.207 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 371 | LEU | 0 | -0.008 | 0.000 | 19.858 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 372 | LEU | 0 | 0.006 | -0.002 | 23.371 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 373 | SER | 0 | 0.029 | 0.024 | 25.884 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 374 | ARG | 1 | 0.726 | 0.833 | 22.679 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 375 | LEU | 0 | 0.048 | 0.039 | 27.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 376 | LYS | 1 | 0.883 | 0.928 | 30.779 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 377 | ALA | 0 | 0.029 | 0.016 | 32.283 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 378 | ALA | 0 | 0.025 | 0.001 | 34.124 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 379 | THR | 0 | -0.003 | 0.000 | 33.077 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 380 | GLY | 0 | 0.009 | 0.013 | 33.874 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 381 | LYS | 1 | 0.834 | 0.915 | 28.447 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 382 | LYS | 1 | 0.854 | 0.892 | 24.008 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 383 | THR | 0 | -0.009 | -0.005 | 27.912 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 384 | PHE | 0 | 0.034 | 0.017 | 22.050 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 385 | SER | 0 | 0.007 | 0.006 | 28.205 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 386 | ASN | 0 | -0.013 | -0.014 | 30.084 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 387 | ALA | 0 | 0.030 | 0.029 | 31.605 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 388 | PHE | 0 | 0.020 | -0.001 | 28.550 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 389 | ILE | 0 | -0.029 | -0.007 | 27.463 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 390 | ILE | 0 | 0.003 | 0.011 | 25.193 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 391 | SER | 0 | 0.037 | -0.010 | 24.472 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 392 | ASN | 0 | 0.040 | 0.035 | 23.281 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 393 | ASN | 0 | 0.016 | 0.008 | 25.360 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 394 | ASP | -1 | -0.870 | -0.939 | 21.893 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 395 | SER | 0 | -0.029 | -0.014 | 21.375 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 396 | LEU | 0 | 0.017 | 0.020 | 16.799 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 397 | THR | 0 | 0.034 | 0.001 | 19.302 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 398 | LEU | 0 | -0.003 | 0.018 | 21.705 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 399 | ASN | 0 | -0.053 | -0.040 | 23.563 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 400 | ASN | 0 | 0.028 | 0.013 | 20.177 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 401 | LEU | 0 | 0.008 | 0.004 | 24.425 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 402 | ILE | 0 | -0.027 | -0.017 | 27.187 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 403 | SER | 0 | -0.020 | -0.025 | 26.606 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 404 | GLN | 0 | -0.040 | -0.045 | 25.723 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 405 | LEU | 0 | -0.013 | -0.001 | 29.376 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 406 | GLU | -1 | -0.857 | -0.929 | 32.107 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 407 | ASN | 0 | -0.024 | 0.004 | 30.612 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 408 | ARG | 1 | 0.815 | 0.902 | 29.230 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 409 | TYR | 0 | -0.010 | -0.041 | 34.833 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 410 | GLU | -1 | -0.843 | -0.894 | 35.893 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 411 | ILE | 0 | -0.005 | 0.008 | 33.926 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 412 | LEU | 0 | -0.001 | 0.019 | 38.110 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 413 | ASN | 0 | 0.002 | -0.023 | 40.630 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 414 | SER | 0 | -0.085 | -0.048 | 40.831 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 415 | ILE | 0 | 0.037 | 0.028 | 42.456 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 416 | ILE | 0 | -0.032 | -0.003 | 44.672 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 417 | GLN | 0 | -0.028 | -0.024 | 45.225 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 418 | GLU | -1 | -0.791 | -0.877 | 48.112 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 419 | LYS | 1 | 0.884 | 0.925 | 49.290 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 420 | PHE | 0 | -0.024 | 0.000 | 50.698 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 421 | LYS | 1 | 0.844 | 0.906 | 52.314 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 422 | ILE | 0 | -0.007 | 0.010 | 53.607 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 423 | CYS | 0 | -0.061 | -0.014 | 55.056 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 424 | GLU | -1 | -0.844 | -0.904 | 56.920 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 425 | THR | 0 | -0.040 | -0.033 | 59.149 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 426 | TYR | 0 | 0.062 | 0.022 | 51.277 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 427 | ASP | -1 | -0.797 | -0.898 | 55.623 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 428 | SER | 0 | -0.017 | 0.009 | 57.037 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 429 | TYR | 0 | 0.039 | -0.004 | 48.556 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 430 | ILE | 0 | 0.002 | -0.008 | 51.477 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 431 | ASN | 0 | -0.050 | -0.027 | 51.400 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 432 | SER | 0 | 0.069 | 0.043 | 52.172 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 433 | VAL | 0 | -0.007 | -0.003 | 46.665 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 434 | SER | 0 | -0.034 | -0.010 | 47.516 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 435 | GLU | -1 | -0.854 | -0.930 | 47.813 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 436 | LEU | 0 | 0.059 | 0.022 | 45.458 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 437 | VAL | 0 | -0.003 | 0.015 | 42.333 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 438 | LEU | 0 | -0.044 | -0.010 | 42.967 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 439 | GLU | -1 | -0.956 | -0.965 | 44.372 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 440 | THR | 0 | -0.081 | -0.060 | 41.041 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 441 | THR | 0 | -0.052 | -0.039 | 38.208 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 442 | PRO | 0 | -0.039 | -0.016 | 34.537 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 443 | LYS | 1 | 0.955 | 0.980 | 36.353 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 444 | ASN | 0 | -0.037 | -0.019 | 31.816 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 445 | LEU | 0 | 0.012 | 0.014 | 31.720 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 446 | SER | 0 | 0.020 | -0.009 | 28.894 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 447 | MET | 0 | 0.036 | 0.004 | 31.011 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 448 | ASP | -1 | -0.830 | -0.907 | 28.513 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 449 | GLY | 0 | 0.037 | 0.003 | 31.536 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 450 | SER | 0 | 0.010 | 0.004 | 32.901 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 451 | SER | 0 | -0.037 | -0.036 | 34.751 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 452 | PHE | 0 | -0.052 | -0.016 | 34.198 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 453 | TYR | 0 | 0.053 | 0.009 | 35.134 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 454 | GLN | 0 | -0.044 | -0.023 | 38.768 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 455 | GLN | 0 | -0.056 | -0.022 | 38.804 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 456 | ILE | 0 | 0.005 | 0.013 | 39.434 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 457 | ILE | 0 | 0.019 | 0.007 | 42.796 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 458 | GLY | 0 | -0.003 | 0.011 | 44.901 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 459 | TYR | 0 | -0.018 | -0.029 | 42.887 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 460 | LEU | 0 | 0.007 | 0.008 | 45.107 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 461 | SER | 0 | -0.013 | -0.016 | 48.070 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 462 | SER | 0 | -0.047 | -0.033 | 44.360 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 463 | GLY | 0 | 0.022 | 0.018 | 46.675 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 464 | PHE | 0 | -0.003 | -0.008 | 48.093 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 465 | LYS | 1 | 0.957 | 0.975 | 49.944 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 466 | PRO | 0 | -0.026 | -0.017 | 49.487 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 467 | GLU | -1 | -0.911 | -0.948 | 45.943 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 468 | VAL | 0 | -0.013 | -0.001 | 45.094 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 469 | ASN | 0 | 0.025 | 0.015 | 40.396 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 470 | SER | 0 | 0.073 | 0.019 | 40.326 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 471 | THR | 0 | 0.053 | 0.028 | 39.191 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 472 | VAL | 0 | -0.016 | 0.011 | 34.849 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 473 | PHE | 0 | 0.033 | 0.002 | 34.355 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 474 | PHE | 0 | -0.015 | -0.008 | 34.570 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 475 | SER | 0 | -0.039 | -0.055 | 35.056 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 476 | GLY | 0 | 0.066 | 0.042 | 34.148 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 477 | PRO | 0 | -0.006 | -0.027 | 31.021 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 478 | ASN | 0 | 0.010 | 0.017 | 29.521 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 479 | ILE | 0 | 0.004 | 0.019 | 28.813 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 480 | TYR | 0 | 0.031 | 0.022 | 26.901 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 481 | SER | 0 | -0.013 | -0.003 | 24.633 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 482 | SER | 0 | -0.022 | -0.018 | 23.857 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 483 | ALA | 0 | 0.006 | 0.014 | 23.914 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 484 | THR | 0 | -0.051 | -0.045 | 19.602 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 485 | CYS | 0 | -0.078 | -0.029 | 19.458 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 486 | ASP | -1 | -0.743 | -0.856 | 19.572 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 487 | THR | 0 | -0.012 | -0.023 | 16.203 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 488 | TYR | 0 | 0.002 | -0.014 | 12.757 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 489 | HIS | 0 | -0.030 | -0.029 | 14.770 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 490 | PHE | 0 | -0.021 | 0.004 | 10.485 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 491 | ILE | 0 | -0.003 | 0.012 | 16.230 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 492 | LYS | 1 | 0.951 | 0.961 | 20.026 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 493 | ASN | 0 | -0.057 | -0.016 | 23.183 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 494 | THR | 0 | 0.001 | 0.003 | 23.984 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 495 | PHE | 0 | 0.017 | -0.001 | 26.490 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 496 | ASP | -1 | -0.823 | -0.864 | 24.866 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 497 | MET | 0 | -0.040 | -0.007 | 25.259 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 498 | LEU | 0 | 0.022 | 0.029 | 18.118 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 499 | SER | 0 | 0.043 | 0.021 | 19.821 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 500 | SER | 0 | 0.023 | -0.011 | 20.934 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 501 | GLN | 0 | 0.081 | 0.054 | 15.797 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 502 | ASN | 0 | 0.052 | 0.025 | 15.419 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 503 | GLN | 0 | -0.013 | -0.014 | 17.506 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 504 | GLU | -1 | -0.875 | -0.929 | 18.778 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 505 | ILE | 0 | -0.028 | 0.004 | 13.542 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 506 | PHE | 0 | 0.030 | 0.014 | 16.376 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 507 | GLU | -1 | -0.790 | -0.853 | 19.842 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 508 | ALA | 0 | 0.000 | 0.001 | 22.217 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 509 | SER | 0 | 0.025 | 0.006 | 23.933 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 510 | ASN | 0 | 0.060 | 0.011 | 25.485 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 511 | ASN | 0 | -0.013 | 0.003 | 27.639 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 512 | LEU | 0 | -0.017 | -0.009 | 25.808 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 513 | TYR | 0 | -0.051 | -0.035 | 28.512 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 514 | PHE | 0 | -0.001 | 0.000 | 32.666 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 515 | SER | 0 | -0.018 | -0.026 | 34.970 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 516 | LYS | 1 | 0.811 | 0.921 | 34.655 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 517 | THR | 0 | -0.002 | -0.016 | 39.446 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 518 | HIS | 1 | 0.790 | 0.863 | 42.248 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 519 | ASP | -1 | -0.796 | -0.859 | 44.436 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 520 | GLU | -1 | -0.755 | -0.858 | 37.031 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 521 | PHE | 0 | -0.012 | -0.010 | 40.357 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 522 | LYS | 1 | 0.811 | 0.908 | 43.653 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 523 | SER | 0 | 0.031 | -0.028 | 42.409 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 524 | SER | 0 | -0.048 | -0.039 | 41.391 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 525 | TRP | 0 | -0.047 | -0.028 | 42.879 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 526 | LEU | 0 | -0.042 | -0.010 | 42.716 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 527 | LEU | 0 | -0.007 | 0.009 | 40.417 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 528 | ARG | 1 | 0.838 | 0.923 | 44.080 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 529 | SER | 0 | 0.087 | 0.048 | 47.375 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 530 | ASN | 0 | -0.040 | -0.022 | 50.028 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 531 | ILE | 0 | 0.018 | 0.002 | 50.316 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 532 | ALA | 0 | 0.000 | 0.003 | 53.435 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 533 | GLU | -1 | -0.863 | -0.918 | 55.377 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 534 | LYS | 1 | 0.852 | 0.914 | 58.026 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 535 | GLU | -1 | -0.781 | -0.883 | 59.701 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 536 | PHE | 0 | 0.015 | 0.018 | 59.724 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 537 | GLN | 0 | 0.031 | 0.014 | 58.280 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 538 | LYS | 1 | 0.845 | 0.910 | 62.893 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 539 | LEU | 0 | -0.025 | 0.000 | 65.225 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 540 | ILE | 0 | -0.048 | -0.005 | 62.950 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 541 | LYS | 1 | 0.800 | 0.874 | 66.864 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |