![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 98322
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 | 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 | 540 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -11470820.762535 |
---|---|
FMO2-HF: Nuclear repulsion | 11251919.735092 |
FMO2-HF: Total energy | -218901.027443 |
FMO2-MP2: Total energy | -219543.212744 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F038396/ligand_interaction/ligand_F038396.png)
Ligand Interaction
![ligand interaction](./Kdata/F038396/ligand_interaction/ligand_interaction_F038396.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. |
-14.63 | -8.587 | 11.425 | -6.226 | -11.243 | -0.05 |
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 | -0.015 | -0.017 | 2.807 | -1.069 | 0.812 | 0.455 | -0.604 | -1.732 | -0.002 |
4 | A | 5 | ARG | 1 | 1.014 | 1.005 | 5.235 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 6 | GLU | -1 | -0.809 | -0.915 | 7.042 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 7 | GLN | 0 | -0.041 | -0.057 | 9.630 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 8 | LEU | 0 | -0.066 | -0.033 | 7.576 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 9 | MET | 0 | 0.073 | 0.066 | 9.706 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 10 | LYS | 1 | 0.859 | 0.946 | 11.476 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 11 | ILE | 0 | 0.028 | 0.025 | 13.383 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 12 | ALA | 0 | -0.001 | -0.006 | 15.389 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 13 | SER | 0 | -0.099 | -0.041 | 17.073 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 14 | ILE | 0 | 0.046 | 0.020 | 19.836 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 15 | PRO | 0 | 0.042 | 0.003 | 23.476 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 16 | LEU | 0 | 0.013 | 0.015 | 26.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 17 | LYS | 1 | 0.914 | 0.981 | 23.674 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 18 | ARG | 1 | 0.960 | 0.966 | 24.022 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 19 | LYS | 1 | 0.943 | 0.976 | 18.117 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 20 | GLU | -1 | -0.730 | -0.832 | 21.666 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 21 | PRO | 0 | 0.027 | 0.008 | 20.629 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 22 | GLU | -1 | -0.767 | -0.887 | 19.588 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 23 | TYR | 0 | -0.027 | -0.012 | 15.100 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 24 | ASN | 0 | 0.025 | -0.020 | 15.779 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 25 | LEU | 0 | 0.033 | 0.041 | 15.358 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 26 | ILE | 0 | -0.012 | 0.009 | 11.715 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 27 | LEU | 0 | -0.070 | -0.044 | 11.194 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 28 | ASP | -1 | -0.843 | -0.914 | 11.334 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 29 | ALA | 0 | -0.053 | -0.033 | 10.699 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 30 | LEU | 0 | -0.058 | -0.035 | 5.342 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 31 | GLU | -1 | -0.952 | -0.963 | 6.495 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 32 | ASN | 0 | -0.021 | -0.028 | 7.915 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 33 | PHE | 0 | -0.029 | -0.002 | 2.103 | 0.719 | -1.946 | 6.235 | -1.123 | -2.447 | 0.002 |
33 | A | 34 | ASN | 0 | 0.013 | -0.006 | 2.762 | -2.383 | -0.698 | 0.649 | -0.766 | -1.567 | -0.006 |
34 | A | 35 | ARG | 1 | 0.867 | 0.964 | 3.488 | -0.287 | 0.287 | 0.032 | -0.168 | -0.438 | -0.001 |
35 | A | 36 | ASP | -1 | -0.925 | -0.979 | 6.201 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 37 | ILE | 0 | -0.017 | -0.016 | 2.408 | -0.629 | -0.433 | 1.409 | -0.280 | -1.326 | -0.001 |
37 | A | 38 | GLU | -1 | -0.922 | -0.959 | 6.193 | 0.450 | 0.450 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 39 | GLY | 0 | -0.054 | -0.024 | 9.000 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 40 | THR | 0 | -0.006 | 0.011 | 8.768 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 41 | SER | 0 | 0.029 | 0.001 | 11.805 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 42 | VAL | 0 | 0.025 | 0.000 | 11.216 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 43 | LYS | 1 | 0.907 | 0.947 | 11.580 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 44 | GLU | -1 | -0.909 | -0.948 | 12.255 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 45 | ILE | 0 | 0.001 | 0.018 | 6.191 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 46 | TYR | 0 | -0.044 | -0.073 | 8.785 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 47 | SER | 0 | 0.010 | -0.002 | 11.108 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 48 | LYS | 1 | 0.952 | 0.968 | 8.217 | 0.386 | 0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 49 | LEU | 0 | -0.004 | 0.006 | 5.183 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 50 | SER | 0 | 0.012 | 0.009 | 9.081 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 51 | LYS | 1 | 0.948 | 0.973 | 12.131 | 0.313 | 0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 52 | LEU | 0 | 0.003 | 0.006 | 7.137 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 53 | ASN | 0 | 0.048 | 0.025 | 11.453 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 54 | GLU | -1 | -0.928 | -0.953 | 13.411 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 55 | LEU | 0 | -0.051 | -0.029 | 13.135 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 56 | VAL | 0 | -0.007 | -0.003 | 13.049 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 57 | ASP | -1 | -0.813 | -0.906 | 15.905 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 58 | ASN | 0 | -0.016 | -0.018 | 19.089 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 59 | TYR | 0 | -0.093 | -0.030 | 18.460 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 60 | GLN | 0 | -0.057 | -0.045 | 18.907 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 61 | THR | 0 | -0.029 | 0.002 | 21.595 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 62 | LYS | 1 | 0.891 | 0.958 | 23.746 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 63 | TYR | 0 | -0.131 | -0.099 | 22.672 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 64 | PRO | 0 | 0.085 | 0.051 | 24.500 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 65 | SER | 0 | -0.044 | -0.032 | 26.110 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 66 | SER | 0 | -0.054 | -0.041 | 22.284 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 67 | GLY | 0 | 0.020 | 0.002 | 23.848 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 68 | ARG | 1 | 0.779 | 0.865 | 18.607 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 69 | ASN | 0 | 0.047 | 0.018 | 18.373 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 70 | LEU | 0 | 0.047 | 0.031 | 18.580 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 71 | ALA | 0 | -0.004 | 0.002 | 15.835 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 72 | LEU | 0 | -0.001 | -0.013 | 13.642 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 73 | GLU | -1 | -0.822 | -0.891 | 14.186 | -0.451 | -0.451 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 74 | ASN | 0 | 0.014 | 0.001 | 13.657 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 75 | PHE | 0 | -0.015 | -0.007 | 7.109 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 76 | ARG | 1 | 0.865 | 0.953 | 9.901 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 77 | ASP | -1 | -0.873 | -0.932 | 11.015 | -0.722 | -0.722 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 78 | SER | 0 | -0.135 | -0.104 | 7.079 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 79 | LEU | 0 | 0.042 | 0.016 | 6.907 | -0.495 | -0.495 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 80 | TYR | 0 | 0.040 | 0.028 | 8.018 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 81 | SER | 0 | -0.061 | -0.036 | 7.193 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 82 | GLU | -1 | -0.826 | -0.916 | 2.476 | -11.864 | -7.559 | 2.646 | -3.284 | -3.668 | -0.042 |
82 | A | 83 | LEU | 0 | -0.053 | -0.012 | 5.837 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 84 | ARG | 1 | 0.901 | 0.935 | 9.084 | 0.856 | 0.856 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 85 | GLU | -1 | -0.938 | -0.962 | 4.699 | -0.303 | -0.236 | -0.001 | -0.001 | -0.065 | 0.000 |
85 | A | 86 | LEU | 0 | 0.013 | 0.026 | 7.645 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 87 | ILE | 0 | -0.018 | 0.005 | 8.844 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 88 | LYS | 1 | 0.939 | 0.961 | 10.645 | 0.522 | 0.522 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 89 | ASN | 0 | 0.008 | 0.011 | 9.145 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 90 | SER | 0 | -0.026 | 0.002 | 11.963 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 91 | ARG | 1 | 0.881 | 0.961 | 13.642 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 92 | THR | 0 | -0.003 | -0.007 | 14.944 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 93 | SER | 0 | -0.052 | -0.043 | 16.947 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 94 | THR | 0 | 0.015 | 0.018 | 18.434 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 95 | ILE | 0 | 0.001 | -0.007 | 20.978 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 96 | ALA | 0 | -0.001 | 0.009 | 24.024 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 97 | SER | 0 | -0.007 | -0.009 | 26.196 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 98 | LYS | 1 | 0.849 | 0.933 | 29.336 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 99 | ASN | 0 | -0.049 | -0.022 | 32.264 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 100 | LEU | 0 | 0.016 | 0.018 | 33.082 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 101 | SER | 0 | -0.027 | -0.016 | 35.272 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 102 | PHE | 0 | 0.043 | 0.018 | 36.857 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 103 | ILE | 0 | 0.012 | 0.007 | 37.983 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 104 | TRP | 0 | -0.021 | -0.010 | 41.549 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 105 | ILE | 0 | 0.004 | -0.005 | 43.544 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 106 | GLY | 0 | 0.041 | 0.016 | 46.613 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 107 | GLY | 0 | -0.025 | -0.014 | 49.724 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 108 | PRO | 0 | -0.007 | 0.013 | 51.410 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 109 | ILE | 0 | 0.051 | 0.040 | 46.708 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 110 | SER | 0 | 0.032 | 0.015 | 49.416 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 111 | ASP | -1 | -0.799 | -0.913 | 50.604 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 112 | GLN | 0 | -0.002 | 0.006 | 48.467 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 113 | SER | 0 | 0.047 | 0.026 | 46.202 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 114 | LEU | 0 | -0.008 | -0.008 | 46.253 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 115 | GLU | -1 | -0.819 | -0.901 | 48.150 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 116 | TYR | 0 | 0.004 | -0.022 | 42.414 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 117 | TYR | 0 | -0.008 | -0.002 | 42.114 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 118 | ASN | 0 | 0.013 | 0.000 | 43.429 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 119 | MET | 0 | 0.005 | 0.018 | 41.722 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 120 | TRP | 0 | -0.020 | -0.022 | 34.592 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 121 | LYS | 1 | 0.941 | 0.969 | 40.004 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 122 | MET | 0 | -0.076 | -0.027 | 42.458 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 123 | PHE | 0 | -0.010 | -0.010 | 38.410 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 124 | ASN | 0 | -0.012 | 0.006 | 35.404 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 125 | LYS | 1 | 0.974 | 0.978 | 38.020 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 126 | ASP | -1 | -0.872 | -0.928 | 34.279 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 127 | TYR | 0 | -0.041 | -0.039 | 30.739 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 128 | ASN | 0 | -0.028 | -0.001 | 36.511 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 129 | ILE | 0 | -0.022 | -0.014 | 37.488 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 130 | ARG | 1 | 0.904 | 0.958 | 37.170 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 131 | LEU | 0 | 0.025 | 0.016 | 40.472 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 132 | PHE | 0 | -0.015 | -0.011 | 38.523 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 133 | TYR | 0 | 0.014 | -0.032 | 43.136 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 134 | ASP | -1 | -0.715 | -0.839 | 46.039 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 135 | LYS | 1 | 0.952 | 0.982 | 47.791 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 136 | ASN | 0 | -0.014 | -0.005 | 50.500 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 137 | SER | 0 | -0.054 | -0.053 | 49.193 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 138 | LEU | 0 | -0.026 | 0.010 | 50.509 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 139 | LEU | 0 | -0.024 | -0.015 | 52.997 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 140 | VAL | 0 | 0.037 | 0.024 | 49.386 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 141 | ASN | 0 | -0.002 | 0.000 | 51.561 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 142 | THR | 0 | -0.032 | -0.027 | 52.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 143 | LEU | 0 | 0.012 | 0.009 | 53.634 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 144 | LYS | 1 | 0.972 | 0.990 | 48.896 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 145 | THR | 0 | -0.016 | -0.011 | 54.185 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 146 | ALA | 0 | 0.011 | 0.019 | 56.786 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 147 | ILE | 0 | 0.011 | 0.015 | 55.541 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 148 | ILE | 0 | -0.028 | -0.007 | 53.357 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 149 | GLN | 0 | 0.000 | -0.017 | 57.779 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 150 | GLU | -1 | -0.875 | -0.938 | 61.076 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 151 | SER | 0 | -0.043 | -0.042 | 59.396 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 152 | SER | 0 | -0.036 | -0.034 | 60.496 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 153 | LYS | 1 | 0.954 | 0.994 | 62.453 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 154 | VAL | 0 | 0.026 | 0.017 | 65.213 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 155 | ILE | 0 | 0.007 | 0.004 | 62.728 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 156 | ILE | 0 | -0.035 | -0.015 | 64.224 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 157 | GLU | -1 | -0.924 | -0.972 | 67.233 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 158 | GLN | 0 | -0.053 | -0.019 | 67.803 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 159 | ASN | 0 | -0.088 | -0.054 | 67.594 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 160 | GLN | 0 | 0.011 | 0.015 | 70.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 161 | SER | 0 | 0.058 | 0.019 | 72.885 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 162 | ASN | 0 | -0.025 | -0.012 | 70.516 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 163 | ILE | 0 | 0.004 | -0.001 | 68.871 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 164 | LEU | 0 | -0.047 | -0.015 | 69.651 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 165 | ASP | -1 | -0.934 | -0.972 | 66.816 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 166 | GLY | 0 | -0.020 | 0.011 | 69.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 167 | THR | 0 | -0.002 | -0.004 | 67.754 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 168 | TYR | 0 | -0.093 | -0.070 | 64.003 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 169 | GLY | 0 | 0.074 | 0.047 | 64.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 170 | HIS | 0 | 0.009 | -0.002 | 55.713 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 171 | ASN | 0 | -0.041 | -0.029 | 57.545 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 172 | LYS | 1 | 0.977 | 1.006 | 58.655 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 173 | PHE | 0 | 0.003 | -0.013 | 59.102 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 174 | TYR | 0 | 0.027 | 0.005 | 55.342 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 175 | SER | 0 | -0.013 | -0.001 | 56.659 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 176 | ASP | -1 | -0.818 | -0.912 | 57.742 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 177 | ARG | 1 | 0.888 | 0.950 | 55.201 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 178 | MET | 0 | -0.026 | 0.009 | 51.965 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 179 | LYS | 1 | 0.918 | 0.969 | 56.492 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 180 | LEU | 0 | -0.021 | 0.006 | 58.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 181 | ILE | 0 | 0.008 | -0.004 | 54.261 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 182 | TYR | 0 | -0.045 | -0.030 | 52.702 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 183 | ARG | 1 | 1.004 | 0.986 | 55.797 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 184 | TYR | 0 | 0.026 | 0.021 | 57.896 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 185 | LYS | 1 | 0.882 | 0.970 | 49.818 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 186 | ARG | 1 | 0.860 | 0.917 | 54.717 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 187 | GLU | -1 | -0.900 | -0.955 | 56.102 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 188 | LEU | 0 | -0.034 | 0.004 | 53.895 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 189 | LYS | 1 | 0.906 | 0.956 | 49.369 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 190 | MET | 0 | 0.002 | -0.007 | 54.544 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 191 | LEU | 0 | 0.017 | 0.013 | 57.546 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 192 | TYR | 0 | -0.004 | -0.010 | 49.680 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 193 | GLU | -1 | -0.907 | -0.964 | 51.251 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 194 | ASN | 0 | -0.010 | -0.002 | 54.883 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 195 | MET | 0 | -0.011 | -0.001 | 57.352 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 196 | LYS | 1 | 0.867 | 0.944 | 49.892 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 197 | GLN | 0 | -0.062 | -0.026 | 52.443 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 198 | ASN | 0 | -0.006 | -0.003 | 55.153 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 199 | ASN | 0 | -0.050 | -0.009 | 56.537 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 200 | SER | 0 | 0.005 | 0.013 | 53.757 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 201 | VAL | 0 | 0.052 | -0.005 | 50.038 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 202 | ASP | -1 | -0.714 | -0.859 | 53.453 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 203 | ASP | -1 | -0.889 | -0.930 | 55.983 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 204 | ILE | 0 | -0.021 | -0.011 | 54.448 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 205 | ILE | 0 | -0.019 | -0.006 | 53.625 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 206 | ILE | 0 | -0.026 | -0.018 | 57.986 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 207 | ASN | 0 | -0.013 | -0.011 | 61.074 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 208 | PHE | 0 | 0.057 | 0.020 | 59.047 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 209 | LEU | 0 | -0.003 | -0.007 | 59.278 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 210 | SER | 0 | -0.042 | -0.003 | 62.750 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 211 | ASN | 0 | -0.048 | -0.039 | 65.068 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 212 | TYR | 0 | -0.055 | -0.009 | 63.504 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 213 | PHE | 0 | -0.032 | -0.014 | 60.726 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 214 | LYS | 1 | 0.920 | 0.971 | 66.332 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 215 | TYR | 0 | -0.053 | -0.026 | 62.543 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 216 | ASP | -1 | -0.871 | -0.955 | 66.892 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 217 | ILE | 0 | 0.042 | 0.014 | 65.442 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 218 | GLY | 0 | 0.023 | 0.026 | 65.626 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 219 | LYS | 1 | 0.959 | 0.971 | 65.643 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 220 | LEU | 0 | 0.007 | 0.014 | 60.555 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 221 | ASN | 0 | 0.009 | -0.011 | 61.485 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 222 | ASN | 0 | -0.020 | -0.009 | 62.295 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 223 | GLN | 0 | 0.036 | 0.016 | 59.259 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 224 | LYS | 1 | 1.000 | 1.009 | 57.300 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 225 | GLU | -1 | -0.927 | -0.943 | 57.577 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 226 | ASN | 0 | -0.043 | -0.010 | 58.756 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 227 | ASN | 0 | -0.024 | -0.031 | 54.464 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 228 | ASN | 0 | 0.081 | 0.041 | 53.743 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 229 | ASN | 0 | 0.014 | -0.001 | 54.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 230 | LYS | 1 | 0.797 | 0.890 | 53.285 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 231 | MET | 0 | -0.007 | -0.010 | 47.886 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 232 | ILE | 0 | 0.000 | -0.006 | 50.961 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 233 | ALA | 0 | -0.041 | -0.012 | 52.877 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 234 | ILE | 0 | -0.063 | -0.020 | 48.400 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 235 | GLY | 0 | -0.031 | -0.007 | 48.494 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 236 | ALA | 0 | -0.030 | -0.010 | 46.447 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 237 | THR | 0 | -0.005 | -0.009 | 43.489 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 238 | ASP | -1 | -0.784 | -0.909 | 45.489 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 239 | ILE | 0 | -0.016 | -0.017 | 42.273 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 240 | ASN | 0 | -0.154 | -0.097 | 44.294 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 241 | THR | 0 | -0.042 | 0.001 | 46.528 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 242 | GLU | -1 | -0.903 | -0.950 | 41.808 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 243 | ASN | 0 | -0.071 | -0.038 | 40.033 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 244 | ILE | 0 | -0.021 | 0.000 | 37.389 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 245 | LEU | 0 | 0.027 | 0.016 | 37.580 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 246 | THR | 0 | 0.018 | -0.007 | 36.676 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 247 | ASN | 0 | -0.024 | -0.017 | 36.652 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 248 | LYS | 1 | 1.032 | 1.012 | 35.062 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 249 | LEU | 0 | 0.081 | 0.043 | 33.443 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 250 | LYS | 1 | 0.951 | 0.983 | 37.678 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 251 | SER | 0 | -0.018 | -0.005 | 40.982 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 252 | TYR | 0 | -0.030 | -0.058 | 35.734 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 253 | TYR | 0 | -0.037 | -0.035 | 41.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 254 | TYR | 0 | 0.028 | 0.000 | 42.276 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 255 | GLN | 0 | -0.023 | 0.005 | 42.415 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 256 | GLU | -1 | -0.736 | -0.842 | 41.457 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 257 | LEU | 0 | -0.028 | -0.004 | 44.804 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 258 | ILE | 0 | -0.044 | -0.017 | 47.575 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 259 | GLN | 0 | -0.077 | -0.051 | 46.737 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 260 | THR | 0 | -0.038 | -0.042 | 44.953 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 261 | ASN | 0 | -0.039 | -0.022 | 48.229 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 262 | ASN | 0 | 0.021 | 0.008 | 42.887 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 263 | LEU | 0 | 0.050 | 0.011 | 44.353 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 264 | ALA | 0 | 0.035 | 0.026 | 41.349 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 265 | ALA | 0 | 0.034 | 0.027 | 39.759 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 266 | ALA | 0 | 0.004 | -0.001 | 39.589 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 267 | SER | 0 | 0.016 | -0.005 | 40.217 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 268 | ASP | -1 | -0.811 | -0.879 | 35.976 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 269 | ILE | 0 | -0.033 | -0.015 | 35.291 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 270 | LEU | 0 | -0.018 | -0.012 | 35.869 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 271 | ARG | 1 | 0.875 | 0.917 | 33.358 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 272 | ILE | 0 | 0.007 | 0.010 | 30.469 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 273 | ALA | 0 | -0.012 | -0.004 | 32.063 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 274 | ILE | 0 | -0.019 | -0.006 | 34.232 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 275 | LEU | 0 | 0.003 | 0.001 | 29.259 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 276 | LYS | 1 | 0.959 | 0.981 | 28.385 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 277 | LYS | 1 | 0.906 | 0.968 | 30.728 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 278 | TYR | 0 | -0.048 | -0.040 | 32.962 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 279 | GLY | 0 | 0.003 | 0.020 | 29.360 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 280 | GLY | 0 | -0.025 | -0.017 | 28.730 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 281 | VAL | 0 | 0.007 | -0.008 | 29.144 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 282 | TYR | 0 | -0.029 | -0.016 | 31.157 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 283 | CYS | 0 | -0.043 | -0.034 | 32.876 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 284 | ASP | -1 | -0.846 | -0.918 | 35.471 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 285 | LEU | 0 | -0.028 | -0.031 | 38.116 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 286 | ASP | -1 | -0.793 | -0.873 | 40.354 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 287 | PHE | 0 | -0.049 | -0.019 | 33.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 288 | LEU | 0 | -0.021 | -0.001 | 38.069 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 289 | PRO | 0 | 0.042 | 0.011 | 36.173 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 290 | GLY | 0 | 0.029 | 0.031 | 33.767 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 291 | VAL | 0 | 0.018 | 0.015 | 34.807 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 292 | ASN | 0 | 0.008 | -0.010 | 34.384 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 293 | LEU | 0 | -0.003 | -0.026 | 34.895 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 294 | SER | 0 | 0.016 | 0.017 | 31.674 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 295 | LEU | 0 | -0.040 | -0.007 | 34.782 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 296 | PHE | 0 | -0.045 | -0.021 | 37.853 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 297 | ASN | 0 | 0.030 | 0.010 | 33.831 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 298 | ASP | -1 | -0.956 | -0.949 | 38.284 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 299 | ILE | 0 | -0.075 | -0.059 | 41.207 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 300 | SER | 0 | 0.007 | 0.008 | 42.221 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 301 | LYS | 1 | 0.883 | 0.944 | 40.896 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 302 | PRO | 0 | 0.014 | 0.002 | 43.809 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 303 | ASN | 0 | 0.021 | -0.011 | 45.902 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 304 | GLY | 0 | 0.001 | 0.011 | 46.077 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 305 | MET | 0 | -0.023 | 0.004 | 44.573 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 306 | ASP | -1 | -0.816 | -0.895 | 41.569 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 307 | SER | 0 | -0.014 | -0.034 | 38.040 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 308 | ASN | 0 | 0.020 | 0.021 | 38.021 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 309 | TYR | 0 | 0.035 | 0.012 | 40.310 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 310 | TRP | 0 | 0.021 | 0.006 | 40.266 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 311 | GLU | -1 | -0.862 | -0.942 | 36.307 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 312 | ALA | 0 | -0.004 | -0.006 | 40.774 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 313 | ALA | 0 | -0.028 | -0.014 | 43.081 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 314 | ILE | 0 | -0.001 | 0.009 | 40.831 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 315 | PHE | 0 | 0.026 | 0.011 | 41.607 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 316 | GLU | -1 | -0.750 | -0.860 | 43.494 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 317 | ALA | 0 | 0.029 | 0.033 | 46.353 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 318 | ILE | 0 | -0.008 | 0.002 | 41.533 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 319 | ALA | 0 | -0.016 | -0.013 | 45.787 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 320 | ASN | 0 | -0.056 | -0.045 | 47.247 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 321 | GLU | -1 | -0.896 | -0.952 | 49.304 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 322 | LYS | 1 | 0.796 | 0.894 | 45.817 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 323 | LYS | 1 | 0.903 | 0.953 | 48.949 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 324 | LEU | 0 | -0.021 | -0.012 | 44.168 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 325 | MET | 0 | -0.036 | -0.015 | 45.543 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 326 | ASN | 0 | -0.016 | -0.010 | 50.025 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 327 | ASN | 0 | -0.071 | -0.019 | 52.311 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 328 | TYR | 0 | 0.018 | 0.003 | 44.661 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 329 | PRO | 0 | 0.043 | 0.025 | 50.892 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 330 | TYR | 0 | 0.047 | 0.013 | 50.059 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 331 | LYS | 1 | 0.937 | 0.976 | 50.005 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 332 | TYR | 0 | -0.037 | -0.038 | 47.165 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 333 | MET | 0 | -0.036 | -0.012 | 47.269 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 334 | GLU | -1 | -0.942 | -0.966 | 50.540 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 335 | GLN | 0 | -0.035 | -0.022 | 48.870 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 336 | VAL | 0 | -0.063 | -0.015 | 48.133 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 337 | PRO | 0 | 0.064 | 0.032 | 51.096 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 338 | SER | 0 | 0.030 | -0.014 | 53.188 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 339 | GLU | -1 | -0.918 | -0.948 | 54.013 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 340 | ILE | 0 | 0.004 | 0.001 | 48.002 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 341 | LYS | 1 | 1.003 | 1.006 | 49.745 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 342 | GLU | -1 | -0.868 | -0.948 | 50.901 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 343 | ARG | 1 | 0.925 | 0.980 | 46.051 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 344 | ILE | 0 | -0.012 | 0.000 | 45.088 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 345 | LEU | 0 | -0.005 | -0.008 | 47.491 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 346 | SER | 0 | -0.047 | -0.020 | 50.115 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 347 | PHE | 0 | 0.007 | -0.002 | 41.264 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 348 | VAL | 0 | -0.021 | -0.017 | 45.064 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 349 | ARG | 1 | 0.879 | 0.949 | 46.425 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 350 | ASN | 0 | -0.032 | -0.007 | 47.649 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 351 | HIS | 1 | 0.895 | 0.973 | 40.597 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 352 | ASP | -1 | -0.819 | -0.914 | 42.015 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 353 | ILE | 0 | 0.008 | -0.010 | 42.340 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 354 | ASN | 0 | -0.034 | -0.026 | 39.030 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 355 | ASP | -1 | -0.904 | -0.943 | 37.722 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 356 | LEU | 0 | -0.052 | -0.019 | 37.654 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 357 | ILE | 0 | -0.055 | -0.011 | 38.068 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 358 | LEU | 0 | 0.003 | -0.013 | 31.296 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 359 | PRO | 0 | -0.025 | 0.005 | 33.437 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 360 | LEU | 0 | -0.023 | -0.024 | 30.989 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 361 | GLY | 0 | 0.016 | 0.021 | 29.819 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 362 | ASP | -1 | -0.891 | -0.928 | 26.870 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 363 | ILE | 0 | 0.020 | 0.003 | 24.066 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 364 | LYS | 1 | 0.924 | 0.956 | 20.018 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 365 | ILE | 0 | -0.023 | -0.005 | 19.988 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 366 | SER | 0 | -0.010 | -0.021 | 14.744 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 367 | GLN | 0 | 0.057 | 0.012 | 15.824 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 368 | LEU | 0 | 0.016 | 0.000 | 12.282 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 369 | GLU | -1 | -0.821 | -0.874 | 16.901 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 370 | ILE | 0 | -0.021 | -0.009 | 19.076 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 371 | LEU | 0 | -0.017 | -0.011 | 20.362 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 372 | LEU | 0 | 0.013 | 0.002 | 23.800 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 373 | SER | 0 | 0.027 | 0.037 | 26.289 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 374 | ARG | 1 | 0.911 | 0.942 | 24.456 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 375 | LEU | 0 | 0.014 | 0.028 | 28.577 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 376 | LYS | 1 | 0.938 | 0.961 | 31.727 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 377 | ALA | 0 | 0.044 | 0.030 | 33.116 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 378 | ALA | 0 | 0.013 | -0.004 | 35.241 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 379 | THR | 0 | 0.001 | -0.001 | 34.092 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 380 | GLY | 0 | 0.031 | 0.029 | 34.453 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 381 | LYS | 1 | 0.919 | 0.969 | 29.400 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 382 | LYS | 1 | 0.885 | 0.926 | 26.397 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 383 | THR | 0 | -0.035 | -0.020 | 28.722 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 384 | PHE | 0 | 0.042 | 0.020 | 22.505 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 385 | SER | 0 | -0.011 | 0.002 | 28.635 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 386 | ASN | 0 | -0.019 | -0.017 | 30.387 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 387 | ALA | 0 | 0.047 | 0.030 | 32.130 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 388 | PHE | 0 | 0.039 | 0.002 | 28.870 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 389 | ILE | 0 | -0.031 | -0.009 | 27.681 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 390 | ILE | 0 | 0.004 | 0.013 | 25.475 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 391 | SER | 0 | 0.037 | -0.007 | 24.678 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 392 | ASN | 0 | 0.036 | 0.038 | 23.281 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 393 | ASN | 0 | 0.002 | -0.003 | 25.380 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 394 | ASP | -1 | -0.928 | -0.947 | 22.984 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 395 | SER | 0 | 0.006 | -0.003 | 21.196 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 396 | LEU | 0 | -0.037 | -0.020 | 16.092 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 397 | THR | 0 | 0.039 | -0.024 | 19.097 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 398 | LEU | 0 | -0.006 | 0.017 | 21.276 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 399 | ASN | 0 | -0.025 | -0.027 | 22.996 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 400 | ASN | 0 | 0.000 | 0.000 | 19.540 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 401 | LEU | 0 | -0.003 | 0.004 | 23.934 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 402 | ILE | 0 | -0.032 | -0.019 | 26.750 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 403 | SER | 0 | 0.005 | 0.013 | 26.091 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 404 | GLN | 0 | -0.034 | -0.027 | 25.095 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 405 | LEU | 0 | -0.037 | -0.008 | 28.789 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 406 | GLU | -1 | -0.938 | -0.993 | 31.587 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 407 | ASN | 0 | -0.027 | -0.006 | 30.282 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 408 | ARG | 1 | 0.827 | 0.906 | 28.738 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 409 | TYR | 0 | -0.039 | -0.041 | 34.189 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 410 | GLU | -1 | -0.893 | -0.907 | 35.653 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 411 | ILE | 0 | 0.023 | 0.025 | 33.372 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 412 | LEU | 0 | 0.013 | 0.029 | 37.614 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 413 | ASN | 0 | -0.020 | -0.046 | 40.185 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 414 | SER | 0 | -0.097 | -0.056 | 40.269 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 415 | ILE | 0 | 0.047 | 0.026 | 41.633 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 416 | ILE | 0 | -0.028 | -0.014 | 43.974 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 417 | GLN | 0 | 0.066 | 0.056 | 44.963 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 418 | GLU | -1 | -0.956 | -0.984 | 47.431 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 419 | LYS | 1 | 0.997 | 0.997 | 48.624 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 420 | PHE | 0 | 0.010 | 0.014 | 50.093 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 421 | LYS | 1 | 0.943 | 0.976 | 51.924 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 422 | ILE | 0 | -0.009 | 0.008 | 53.635 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 423 | CYS | 0 | -0.050 | 0.015 | 54.459 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 424 | GLU | -1 | -0.880 | -0.933 | 56.325 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 425 | THR | 0 | -0.072 | -0.045 | 58.636 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 426 | TYR | 0 | 0.071 | 0.018 | 50.742 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 427 | ASP | -1 | -0.877 | -0.934 | 55.060 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 428 | SER | 0 | -0.032 | -0.027 | 55.893 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 429 | TYR | 0 | 0.041 | -0.010 | 47.933 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 430 | ILE | 0 | 0.009 | -0.008 | 50.907 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 431 | ASN | 0 | -0.022 | 0.001 | 51.221 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 432 | SER | 0 | -0.026 | -0.011 | 51.802 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 433 | VAL | 0 | 0.027 | 0.006 | 46.395 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 434 | SER | 0 | -0.026 | -0.017 | 47.082 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 435 | GLU | -1 | -0.926 | -0.970 | 47.271 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 436 | LEU | 0 | 0.050 | 0.021 | 45.178 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 437 | VAL | 0 | -0.021 | 0.010 | 42.040 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 438 | LEU | 0 | -0.064 | -0.026 | 42.527 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 439 | GLU | -1 | -0.928 | -0.944 | 44.296 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 440 | THR | 0 | -0.068 | -0.047 | 40.722 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 441 | THR | 0 | -0.083 | -0.043 | 37.518 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 442 | PRO | 0 | -0.013 | -0.004 | 34.115 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 443 | LYS | 1 | 0.957 | 0.975 | 35.382 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 444 | ASN | 0 | -0.034 | -0.020 | 31.535 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 445 | LEU | 0 | -0.003 | 0.011 | 31.168 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 446 | SER | 0 | 0.015 | -0.009 | 28.213 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 447 | MET | 0 | 0.024 | -0.005 | 30.373 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 448 | ASP | -1 | -0.868 | -0.934 | 28.859 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 449 | GLY | 0 | 0.011 | -0.002 | 30.785 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 450 | SER | 0 | 0.002 | -0.010 | 32.053 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 451 | SER | 0 | 0.014 | 0.002 | 34.385 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 452 | PHE | 0 | -0.063 | -0.014 | 33.688 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 453 | TYR | 0 | 0.078 | 0.021 | 34.190 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 454 | GLN | 0 | -0.027 | -0.011 | 38.227 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 455 | GLN | 0 | -0.069 | -0.040 | 38.718 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 456 | ILE | 0 | -0.029 | 0.006 | 38.823 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 457 | ILE | 0 | 0.026 | 0.017 | 42.171 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 458 | GLY | 0 | -0.011 | 0.004 | 44.749 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 459 | TYR | 0 | -0.006 | -0.035 | 41.805 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 460 | LEU | 0 | -0.007 | -0.006 | 44.725 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 461 | SER | 0 | -0.023 | -0.018 | 47.866 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 462 | SER | 0 | 0.055 | 0.029 | 44.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 463 | GLY | 0 | -0.043 | -0.005 | 46.760 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 464 | PHE | 0 | -0.034 | -0.029 | 48.467 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 465 | LYS | 1 | 0.958 | 0.961 | 50.195 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 466 | PRO | 0 | -0.049 | -0.025 | 49.675 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 467 | GLU | -1 | -0.922 | -0.956 | 46.201 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 468 | VAL | 0 | -0.038 | 0.000 | 45.110 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 469 | ASN | 0 | 0.000 | -0.014 | 41.109 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 470 | SER | 0 | 0.107 | 0.031 | 40.652 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 471 | THR | 0 | 0.008 | 0.006 | 39.108 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 472 | VAL | 0 | 0.015 | 0.020 | 34.564 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 473 | PHE | 0 | 0.025 | 0.000 | 34.326 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 474 | PHE | 0 | 0.000 | 0.001 | 34.163 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 475 | SER | 0 | -0.001 | -0.020 | 34.502 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 476 | GLY | 0 | 0.044 | 0.041 | 34.095 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 477 | PRO | 0 | 0.010 | -0.020 | 31.294 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 478 | ASN | 0 | 0.019 | 0.014 | 29.753 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 479 | ILE | 0 | -0.025 | 0.006 | 28.934 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 480 | TYR | 0 | 0.013 | 0.001 | 27.044 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 481 | SER | 0 | 0.012 | -0.004 | 24.951 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 482 | SER | 0 | -0.009 | -0.001 | 24.039 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 483 | ALA | 0 | 0.023 | 0.024 | 23.558 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 484 | THR | 0 | -0.038 | -0.028 | 20.384 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 485 | CYS | 0 | -0.079 | -0.033 | 19.380 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 486 | ASP | -1 | -0.755 | -0.887 | 19.218 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 487 | THR | 0 | -0.015 | -0.004 | 15.990 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 488 | TYR | 0 | -0.011 | 0.016 | 13.180 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 489 | HIS | 0 | -0.024 | -0.019 | 14.149 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 490 | PHE | 0 | -0.022 | 0.002 | 9.933 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 491 | ILE | 0 | 0.010 | 0.023 | 15.747 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 492 | LYS | 1 | 0.952 | 0.960 | 19.495 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 493 | ASN | 0 | -0.042 | -0.017 | 22.734 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 494 | THR | 0 | 0.043 | 0.057 | 22.619 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 495 | PHE | 0 | 0.007 | -0.016 | 25.593 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 496 | ASP | -1 | -0.848 | -0.903 | 24.209 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 497 | MET | 0 | -0.029 | -0.017 | 25.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 498 | LEU | 0 | 0.013 | 0.018 | 18.812 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 499 | SER | 0 | 0.049 | 0.021 | 20.208 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 500 | SER | 0 | 0.006 | -0.022 | 21.831 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 501 | GLN | 0 | 0.014 | 0.004 | 16.271 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 502 | ASN | 0 | 0.054 | 0.022 | 16.409 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 503 | GLN | 0 | -0.074 | -0.035 | 18.561 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 504 | GLU | -1 | -0.963 | -0.972 | 18.994 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 505 | ILE | 0 | -0.028 | -0.002 | 14.535 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 506 | PHE | 0 | -0.025 | -0.009 | 17.123 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 507 | GLU | -1 | -0.854 | -0.934 | 20.473 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 508 | ALA | 0 | -0.016 | -0.006 | 22.487 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 509 | SER | 0 | 0.017 | -0.014 | 24.347 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 510 | ASN | 0 | 0.051 | -0.003 | 25.763 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 511 | ASN | 0 | -0.028 | 0.003 | 27.330 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 512 | LEU | 0 | -0.016 | -0.002 | 26.411 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 513 | TYR | 0 | -0.036 | -0.012 | 29.194 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 514 | PHE | 0 | 0.009 | 0.009 | 33.279 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 515 | SER | 0 | 0.022 | -0.003 | 35.082 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 516 | LYS | 1 | 0.831 | 0.940 | 35.117 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 517 | THR | 0 | 0.034 | -0.011 | 39.870 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 518 | HIS | 1 | 0.781 | 0.857 | 42.726 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 519 | ASP | -1 | -0.886 | -0.952 | 44.953 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 520 | GLU | -1 | -0.893 | -0.938 | 39.199 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 521 | PHE | 0 | -0.038 | -0.029 | 41.032 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 522 | LYS | 1 | 0.882 | 0.940 | 44.373 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 523 | SER | 0 | 0.070 | 0.031 | 42.909 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 524 | SER | 0 | -0.013 | -0.004 | 41.728 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 525 | TRP | 0 | -0.090 | -0.045 | 43.784 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 526 | LEU | 0 | -0.031 | -0.003 | 43.006 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 527 | LEU | 0 | -0.008 | 0.018 | 41.051 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 528 | ARG | 1 | 0.883 | 0.935 | 44.420 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 529 | SER | 0 | 0.083 | 0.047 | 48.013 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 530 | ASN | 0 | 0.002 | -0.001 | 50.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 531 | ILE | 0 | 0.050 | 0.017 | 50.994 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 532 | ALA | 0 | -0.016 | -0.013 | 54.050 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 533 | GLU | -1 | -0.907 | -0.947 | 56.493 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 534 | LYS | 1 | 0.963 | 0.985 | 58.492 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 535 | GLU | -1 | -0.995 | -1.025 | 60.080 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 536 | PHE | 0 | 0.053 | 0.032 | 60.337 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 537 | GLN | 0 | 0.035 | -0.009 | 58.966 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 538 | LYS | 1 | 0.896 | 0.962 | 63.527 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 539 | LEU | 0 | 0.006 | 0.014 | 66.138 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 540 | ILE | 0 | -0.037 | 0.004 | 63.085 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 541 | LYS | 1 | 0.964 | 0.991 | 67.291 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |