FMODB ID: 6N6YZ
Calculation Name: 2YX2-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2YX2
Chain ID: A
UniProt ID: Q9A0M7
Base Structure: X-ray
Registration Date: 2023-06-21
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | 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 | 332 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -2798772.922382 |
---|---|
FMO2-HF: Nuclear repulsion | 2674259.102105 |
FMO2-HF: Total energy | -124513.820277 |
FMO2-MP2: Total energy | -124879.168912 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:7:LEU)
Summations of interaction energy for
fragment #1(A:7: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. |
-1.773 | 0.596 | 0.488 | -1.098 | -1.759 | 0.001 |
Interaction energy analysis for fragmet #1(A:7: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 | 9 | VAL | 0 | 0.020 | 0.003 | 2.491 | -1.508 | 0.786 | 0.489 | -1.088 | -1.695 | 0.001 |
4 | A | 10 | GLN | 0 | -0.014 | -0.006 | 4.910 | 0.090 | 0.165 | -0.001 | -0.010 | -0.064 | 0.000 |
5 | A | 11 | PHE | 0 | 0.040 | 0.032 | 8.593 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 12 | LYS | 1 | 0.893 | 0.932 | 11.114 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 13 | ARG | 1 | 0.881 | 0.927 | 12.408 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 14 | MET | 0 | 0.012 | 0.036 | 16.806 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 15 | LYS | 1 | 0.853 | 0.934 | 20.484 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 16 | ALA | 0 | 0.028 | 0.004 | 23.438 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 17 | ALA | 0 | -0.016 | -0.011 | 24.985 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 18 | GLU | -1 | -0.844 | -0.934 | 24.378 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 19 | TRP | 0 | 0.008 | -0.036 | 17.628 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 20 | ALA | 0 | -0.033 | -0.006 | 24.357 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 21 | ARG | 1 | 0.874 | 0.942 | 27.606 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 22 | SER | 0 | -0.011 | 0.008 | 23.609 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 23 | ASP | -1 | -0.909 | -0.967 | 25.463 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 24 | VAL | 0 | -0.009 | -0.008 | 19.271 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 25 | ILE | 0 | -0.013 | 0.014 | 21.150 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 26 | LEU | 0 | -0.066 | -0.010 | 16.111 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 27 | LEU | 0 | 0.020 | -0.015 | 14.197 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 28 | GLU | -1 | -0.910 | -0.950 | 16.961 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 29 | SER | 0 | -0.069 | -0.036 | 14.410 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 30 | GLU | -1 | -0.833 | -0.886 | 12.419 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 31 | ILE | 0 | 0.011 | 0.004 | 11.393 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 32 | GLY | 0 | 0.002 | -0.005 | 13.462 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 33 | PHE | 0 | -0.039 | -0.028 | 14.844 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 34 | GLU | -1 | -0.696 | -0.822 | 16.833 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 35 | THR | 0 | -0.038 | -0.048 | 17.873 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 36 | ASP | -1 | -0.799 | -0.880 | 20.115 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 37 | THR | 0 | -0.030 | -0.023 | 22.616 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 38 | GLY | 0 | -0.020 | 0.002 | 19.550 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 39 | PHE | 0 | -0.039 | -0.009 | 19.091 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 40 | ALA | 0 | 0.001 | -0.009 | 16.015 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 41 | ARG | 1 | 0.804 | 0.916 | 17.904 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 42 | ALA | 0 | 0.012 | -0.005 | 16.628 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 43 | GLY | 0 | 0.035 | 0.006 | 17.110 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 44 | ASP | -1 | -0.788 | -0.895 | 18.922 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 45 | GLY | 0 | -0.014 | -0.006 | 20.392 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 46 | HIS | 1 | 0.812 | 0.886 | 21.378 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 47 | ASN | 0 | -0.028 | 0.001 | 24.386 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 48 | ARG | 1 | 0.929 | 0.968 | 23.655 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 49 | PHE | 0 | 0.007 | -0.009 | 18.440 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 50 | SER | 0 | -0.025 | -0.023 | 23.350 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 51 | ASP | -1 | -0.860 | -0.938 | 26.611 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 52 | LEU | 0 | -0.042 | 0.022 | 20.464 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 53 | GLY | 0 | 0.025 | 0.013 | 23.949 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 54 | TYR | 0 | -0.045 | -0.056 | 21.536 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 55 | ILE | 0 | -0.039 | -0.018 | 15.919 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 56 | SER | 0 | -0.009 | -0.003 | 19.666 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 57 | PRO | 0 | -0.023 | -0.011 | 22.338 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 58 | LEU | 0 | 0.014 | 0.003 | 26.058 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 59 | ASP | -1 | -0.805 | -0.882 | 28.701 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 60 | TYR | 0 | 0.074 | 0.021 | 31.802 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 61 | ASN | 0 | -0.032 | -0.039 | 34.494 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 62 | LEU | 0 | -0.020 | -0.006 | 29.041 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 63 | LEU | 0 | -0.027 | 0.018 | 30.080 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 64 | THR | 0 | 0.031 | 0.010 | 30.102 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 65 | ASN | 0 | -0.048 | -0.038 | 32.733 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 66 | LYS | 1 | 0.833 | 0.922 | 34.992 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 67 | PRO | 0 | 0.012 | 0.015 | 37.702 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 68 | ASN | 0 | 0.027 | 0.002 | 41.181 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 69 | ILE | 0 | -0.007 | -0.011 | 42.311 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 70 | ASP | -1 | -0.893 | -0.946 | 45.025 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 71 | GLY | 0 | -0.042 | -0.010 | 47.608 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 72 | LEU | 0 | -0.090 | -0.038 | 46.081 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 73 | ALA | 0 | 0.010 | 0.012 | 50.268 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 74 | THR | 0 | 0.044 | 0.019 | 51.174 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 75 | LYS | 1 | 0.981 | 0.975 | 51.821 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 76 | VAL | 0 | 0.059 | 0.029 | 55.336 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 77 | GLU | -1 | -0.789 | -0.863 | 55.258 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 78 | THR | 0 | -0.020 | -0.027 | 56.488 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 79 | ALA | 0 | 0.005 | 0.002 | 59.148 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 80 | GLN | 0 | 0.002 | -0.002 | 59.915 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 81 | LYS | 1 | 0.857 | 0.907 | 58.242 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 82 | LEU | 0 | -0.028 | -0.021 | 61.680 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 83 | GLN | 0 | 0.023 | 0.016 | 65.065 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 84 | GLN | 0 | -0.064 | -0.023 | 66.400 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 85 | LYS | 1 | 0.839 | 0.924 | 66.797 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 86 | ALA | 0 | 0.038 | 0.029 | 70.307 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 87 | ASP | -1 | -0.861 | -0.925 | 70.161 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 88 | LYS | 1 | 0.923 | 0.943 | 70.211 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 89 | GLU | -1 | -0.937 | -0.952 | 74.442 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 90 | THR | 0 | -0.058 | -0.039 | 75.629 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 91 | VAL | 0 | -0.039 | -0.022 | 77.219 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 92 | TYR | 0 | -0.002 | 0.023 | 79.008 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 93 | THR | 0 | -0.009 | -0.045 | 78.312 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 94 | LYS | 1 | 0.974 | 0.969 | 79.528 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 95 | ALA | 0 | 0.010 | 0.018 | 82.475 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 96 | GLU | -1 | -0.754 | -0.850 | 81.641 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 97 | SER | 0 | -0.021 | -0.021 | 83.954 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 98 | LYS | 1 | 0.818 | 0.896 | 86.545 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 99 | GLN | 0 | 0.037 | 0.027 | 88.018 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 100 | GLU | -1 | -0.772 | -0.870 | 89.525 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 101 | LEU | 0 | -0.016 | -0.008 | 89.109 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 102 | ASP | -1 | -0.842 | -0.921 | 92.010 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 103 | LYS | 1 | 0.776 | 0.898 | 91.821 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 104 | LYS | 1 | 0.798 | 0.885 | 94.061 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 105 | LEU | 0 | 0.005 | 0.009 | 97.953 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 106 | ASN | 0 | 0.013 | 0.004 | 96.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 107 | LEU | 0 | 0.034 | 0.009 | 99.986 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 108 | LYS | 1 | 0.929 | 0.964 | 98.109 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 109 | GLY | 0 | 0.021 | 0.021 | 103.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 110 | GLY | 0 | -0.016 | -0.019 | 102.781 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 111 | VAL | 0 | 0.008 | 0.007 | 104.179 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 112 | MET | 0 | -0.018 | 0.000 | 104.844 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 113 | THR | 0 | 0.030 | 0.012 | 103.426 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 114 | GLY | 0 | 0.038 | 0.018 | 106.550 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 115 | GLN | 0 | 0.002 | 0.000 | 107.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 116 | LEU | 0 | 0.053 | 0.034 | 106.584 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 117 | LYS | 1 | 0.887 | 0.938 | 108.910 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 118 | PHE | 0 | 0.055 | 0.027 | 109.328 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 119 | LYS | 1 | 0.937 | 0.957 | 109.922 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 120 | PRO | 0 | 0.008 | 0.000 | 110.128 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 121 | ALA | 0 | 0.022 | 0.012 | 108.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 122 | ALA | 0 | -0.050 | -0.027 | 110.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 123 | THR | 0 | 0.042 | 0.027 | 108.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 124 | VAL | 0 | 0.046 | 0.017 | 111.685 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 125 | ALA | 0 | -0.055 | -0.022 | 114.239 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 126 | TYR | 0 | 0.025 | 0.012 | 115.076 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 127 | SER | 0 | 0.044 | 0.014 | 117.632 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 128 | SER | 0 | 0.008 | 0.002 | 120.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 129 | SER | 0 | 0.029 | 0.005 | 119.727 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 130 | THR | 0 | -0.007 | 0.010 | 115.130 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 131 | GLY | 0 | 0.021 | 0.028 | 115.685 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 132 | GLY | 0 | -0.001 | 0.006 | 116.906 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 133 | ALA | 0 | -0.068 | -0.043 | 113.468 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 134 | VAL | 0 | -0.002 | -0.001 | 112.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 135 | ASN | 0 | -0.095 | -0.046 | 113.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 136 | ILE | 0 | 0.019 | -0.001 | 113.623 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 137 | ASP | -1 | -0.786 | -0.856 | 115.022 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 138 | LEU | 0 | -0.036 | -0.035 | 115.600 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 139 | SER | 0 | -0.055 | -0.051 | 117.843 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 140 | SER | 0 | -0.036 | -0.008 | 114.245 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 141 | THR | 0 | -0.038 | -0.016 | 114.610 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 142 | ARG | 1 | 0.941 | 0.963 | 116.552 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 143 | GLY | 0 | 0.021 | 0.022 | 117.599 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 144 | ALA | 0 | 0.001 | -0.004 | 118.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 145 | GLY | 0 | 0.033 | 0.019 | 116.898 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 146 | VAL | 0 | -0.020 | -0.017 | 116.466 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 147 | VAL | 0 | -0.018 | -0.008 | 117.809 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 148 | VAL | 0 | -0.013 | -0.006 | 117.900 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 149 | TYR | 0 | -0.045 | -0.021 | 116.179 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 150 | SER | 0 | 0.016 | -0.015 | 120.048 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 151 | ASP | -1 | -0.912 | -0.950 | 120.444 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 152 | ASN | 0 | -0.067 | -0.026 | 120.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 153 | ASP | -1 | -0.895 | -0.945 | 121.981 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 154 | THR | 0 | -0.065 | -0.032 | 124.005 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 155 | SER | 0 | -0.003 | -0.020 | 122.555 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 156 | ASP | -1 | -0.899 | -0.935 | 121.365 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 157 | GLY | 0 | -0.055 | -0.028 | 123.035 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 158 | PRO | 0 | -0.040 | -0.003 | 123.837 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 159 | LEU | 0 | 0.030 | 0.013 | 121.981 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 160 | MET | 0 | -0.010 | -0.007 | 121.488 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 161 | SER | 0 | -0.016 | -0.009 | 122.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 162 | LEU | 0 | 0.003 | 0.005 | 123.054 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 163 | ARG | 1 | 0.948 | 0.978 | 122.141 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 164 | THR | 0 | 0.047 | 0.039 | 124.758 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 165 | GLY | 0 | 0.022 | -0.009 | 126.371 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 166 | LYS | 1 | 0.855 | 0.915 | 126.132 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 167 | GLU | -1 | -0.824 | -0.904 | 129.278 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 168 | THR | 0 | -0.025 | -0.010 | 129.278 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 169 | PHE | 0 | -0.053 | -0.028 | 124.323 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 170 | ASN | 0 | 0.024 | 0.018 | 128.369 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 171 | GLN | 0 | -0.019 | -0.011 | 126.286 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 172 | SER | 0 | 0.011 | 0.010 | 129.316 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 173 | ALA | 0 | -0.016 | -0.012 | 127.311 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 174 | LEU | 0 | 0.012 | 0.002 | 126.209 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 175 | PHE | 0 | -0.007 | -0.008 | 127.565 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 176 | VAL | 0 | 0.008 | -0.005 | 127.746 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 177 | ASP | -1 | -0.826 | -0.873 | 128.731 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 178 | TYR | 0 | -0.032 | -0.049 | 128.938 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 179 | LYS | 1 | 0.827 | 0.889 | 129.287 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 180 | GLY | 0 | 0.015 | 0.012 | 130.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 181 | THR | 0 | -0.019 | -0.010 | 132.070 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 182 | THR | 0 | 0.023 | 0.017 | 131.323 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 183 | ASN | 0 | -0.010 | 0.005 | 134.452 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 184 | ALA | 0 | 0.016 | 0.013 | 132.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 185 | VAL | 0 | 0.013 | 0.003 | 131.066 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 186 | ASN | 0 | -0.018 | -0.006 | 131.875 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 187 | ILE | 0 | 0.019 | 0.016 | 132.449 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 188 | ALA | 0 | -0.006 | -0.010 | 132.636 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 189 | MET | 0 | -0.010 | 0.020 | 133.681 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 190 | ARG | 1 | 0.955 | 0.972 | 130.081 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 191 | GLN | 0 | -0.012 | -0.013 | 136.224 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 192 | PRO | 0 | 0.028 | 0.026 | 135.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 193 | THR | 0 | 0.014 | 0.015 | 133.714 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 194 | THR | 0 | 0.015 | 0.005 | 134.810 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 195 | PRO | 0 | -0.029 | -0.004 | 136.882 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 196 | ASN | 0 | 0.053 | 0.013 | 136.491 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 197 | PHE | 0 | 0.029 | 0.014 | 138.521 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 198 | SER | 0 | -0.064 | -0.044 | 137.466 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 199 | SER | 0 | 0.018 | 0.013 | 139.217 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 200 | ALA | 0 | 0.029 | 0.009 | 136.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 201 | LEU | 0 | -0.004 | -0.005 | 135.186 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 202 | ASN | 0 | -0.050 | -0.033 | 136.794 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 203 | ILE | 0 | 0.025 | 0.013 | 137.013 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 204 | THR | 0 | 0.014 | 0.018 | 138.008 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 205 | SER | 0 | -0.008 | -0.015 | 138.618 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 206 | GLY | 0 | 0.031 | 0.013 | 140.362 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 207 | ASN | 0 | -0.006 | 0.002 | 140.435 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 208 | GLU | -1 | -0.945 | -0.973 | 142.411 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 209 | ASN | 0 | -0.028 | -0.010 | 143.908 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 210 | GLY | 0 | -0.019 | -0.019 | 142.996 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 211 | SER | 0 | -0.026 | -0.007 | 143.520 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 212 | ALA | 0 | -0.006 | -0.001 | 141.689 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 213 | MET | 0 | 0.006 | 0.007 | 140.213 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 214 | GLN | 0 | -0.015 | -0.010 | 141.651 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 215 | LEU | 0 | -0.004 | 0.002 | 141.682 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 216 | ARG | 1 | 0.948 | 0.962 | 143.168 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 217 | GLY | 0 | 0.050 | 0.028 | 143.177 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 218 | SER | 0 | -0.055 | -0.035 | 145.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 219 | GLU | -1 | -0.816 | -0.882 | 145.327 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 220 | LYS | 1 | 0.959 | 0.979 | 148.170 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 221 | ALA | 0 | -0.024 | -0.016 | 150.008 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 222 | LEU | 0 | -0.004 | 0.001 | 146.506 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 223 | GLY | 0 | 0.024 | 0.014 | 149.762 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 224 | THR | 0 | -0.031 | -0.038 | 145.718 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 225 | LEU | 0 | 0.002 | 0.006 | 144.517 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 226 | LYS | 1 | 0.852 | 0.930 | 146.227 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 227 | ILE | 0 | 0.052 | 0.026 | 146.590 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 228 | THR | 0 | -0.029 | -0.029 | 146.807 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 229 | HIS | 0 | -0.029 | -0.014 | 147.358 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 230 | GLU | -1 | -0.960 | -0.986 | 146.108 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 231 | ASN | 0 | 0.015 | 0.013 | 148.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 232 | PRO | 0 | -0.028 | -0.006 | 146.366 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 233 | SER | 0 | -0.011 | -0.009 | 147.244 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 234 | ILE | 0 | 0.029 | 0.013 | 149.852 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 235 | GLY | 0 | -0.009 | -0.002 | 152.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 236 | ALA | 0 | 0.018 | -0.001 | 154.871 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 237 | ASP | -1 | -0.795 | -0.878 | 157.257 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 238 | TYR | 0 | -0.058 | -0.024 | 149.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 239 | ASP | -1 | -0.815 | -0.903 | 152.280 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 240 | LYS | 1 | 0.792 | 0.878 | 153.840 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 241 | ASN | 0 | -0.027 | -0.008 | 154.695 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 242 | ALA | 0 | -0.020 | 0.003 | 151.418 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 243 | ALA | 0 | 0.022 | -0.002 | 152.219 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 244 | ALA | 0 | -0.032 | -0.015 | 150.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 245 | LEU | 0 | -0.031 | -0.021 | 150.179 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 246 | SER | 0 | -0.008 | 0.000 | 151.122 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 247 | ILE | 0 | -0.023 | -0.019 | 151.072 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 248 | ASP | -1 | -0.852 | -0.915 | 151.809 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 249 | ILE | 0 | -0.080 | -0.039 | 152.755 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 250 | VAL | 0 | 0.056 | 0.042 | 149.897 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 251 | LYS | 1 | 0.842 | 0.923 | 153.194 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 252 | LYS | 1 | 0.986 | 0.990 | 145.789 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 253 | THR | 0 | 0.061 | 0.012 | 147.117 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 254 | ASN | 0 | -0.027 | -0.016 | 149.818 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 255 | GLY | 0 | 0.036 | 0.044 | 152.299 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 256 | ALA | 0 | 0.019 | 0.006 | 153.963 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 257 | GLY | 0 | 0.004 | -0.017 | 157.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 258 | THR | 0 | -0.021 | -0.019 | 154.738 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 259 | ALA | 0 | 0.024 | 0.008 | 156.980 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 260 | ALA | 0 | -0.012 | 0.018 | 154.408 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 261 | GLN | 0 | 0.020 | -0.001 | 156.396 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 262 | GLY | 0 | 0.041 | 0.020 | 155.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 263 | ILE | 0 | -0.005 | -0.012 | 155.243 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 264 | TYR | 0 | -0.002 | 0.012 | 155.526 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 265 | ILE | 0 | -0.013 | -0.008 | 156.018 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 266 | ASN | 0 | -0.006 | -0.007 | 157.260 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 267 | SER | 0 | -0.026 | -0.030 | 156.717 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 268 | THR | 0 | 0.020 | 0.009 | 154.280 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 269 | SER | 0 | -0.016 | 0.005 | 156.119 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 270 | GLY | 0 | 0.031 | 0.026 | 158.052 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 271 | THR | 0 | -0.010 | -0.014 | 158.946 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 272 | THR | 0 | 0.060 | 0.028 | 160.843 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 273 | GLY | 0 | -0.010 | 0.017 | 160.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 274 | LYS | 1 | 0.784 | 0.889 | 161.936 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 275 | LEU | 0 | 0.038 | 0.033 | 160.724 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 276 | LEU | 0 | 0.040 | 0.026 | 160.037 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 277 | ARG | 1 | 0.813 | 0.868 | 160.438 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 278 | ILE | 0 | 0.051 | 0.040 | 160.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 279 | ARG | 1 | 0.806 | 0.874 | 159.846 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 280 | ASN | 0 | 0.052 | 0.025 | 160.818 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 281 | LEU | 0 | 0.052 | 0.023 | 160.070 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 282 | SER | 0 | -0.005 | 0.003 | 158.357 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 283 | ASP | -1 | -0.749 | -0.841 | 160.876 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 284 | ASP | -1 | -0.771 | -0.848 | 164.198 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 285 | LYS | 1 | 0.860 | 0.920 | 165.012 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 286 | PHE | 0 | 0.074 | 0.030 | 165.271 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 287 | TYR | 0 | -0.021 | -0.017 | 165.164 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 288 | VAL | 0 | 0.024 | 0.022 | 164.833 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 289 | LYS | 1 | 0.842 | 0.884 | 164.977 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 290 | SER | 0 | 0.011 | -0.003 | 164.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 291 | ASP | -1 | -0.821 | -0.884 | 165.530 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 292 | GLY | 0 | 0.019 | 0.015 | 167.494 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 293 | GLY | 0 | -0.033 | -0.009 | 168.456 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 294 | PHE | 0 | -0.041 | -0.035 | 169.455 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 295 | TYR | 0 | 0.008 | 0.002 | 169.665 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 296 | ALA | 0 | 0.023 | -0.005 | 169.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 297 | LYS | 1 | 0.820 | 0.902 | 169.179 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 298 | GLU | -1 | -0.889 | -0.934 | 171.185 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 299 | THR | 0 | -0.006 | -0.002 | 173.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 300 | SER | 0 | -0.044 | -0.023 | 173.583 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 301 | GLN | 0 | -0.064 | -0.043 | 174.301 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 302 | ILE | 0 | -0.006 | -0.017 | 174.411 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 303 | ASP | -1 | -0.859 | -0.893 | 174.621 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 304 | GLY | 0 | -0.015 | -0.023 | 177.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 305 | ASN | 0 | -0.049 | -0.018 | 179.150 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 306 | LEU | 0 | 0.048 | 0.026 | 177.276 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 307 | LYS | 1 | 0.917 | 0.956 | 178.828 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 308 | LEU | 0 | 0.025 | 0.013 | 179.377 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 309 | LYS | 1 | 0.953 | 0.968 | 180.700 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 310 | ASP | -1 | -0.769 | -0.872 | 184.101 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 311 | PRO | 0 | -0.039 | 0.007 | 186.404 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 312 | THR | 0 | -0.066 | -0.050 | 185.695 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 313 | ALA | 0 | 0.019 | 0.017 | 185.509 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 314 | ASN | 0 | -0.007 | -0.020 | 187.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 315 | ASP | -1 | -0.886 | -0.936 | 182.632 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 316 | HIS | 0 | -0.043 | -0.005 | 182.797 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 317 | ALA | 0 | 0.037 | 0.012 | 183.104 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 318 | ALA | 0 | 0.005 | 0.003 | 184.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 319 | THR | 0 | -0.013 | -0.027 | 185.951 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 320 | LYS | 1 | 0.870 | 0.902 | 187.950 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 321 | ALA | 0 | 0.034 | 0.019 | 189.994 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 322 | TYR | 0 | 0.025 | 0.019 | 190.823 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 323 | VAL | 0 | 0.040 | 0.020 | 191.890 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 324 | ASP | -1 | -0.812 | -0.893 | 194.086 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 325 | LYS | 1 | 0.834 | 0.930 | 192.766 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 326 | ALA | 0 | 0.110 | 0.065 | 196.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 327 | ILE | 0 | 0.008 | 0.003 | 198.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 328 | SER | 0 | -0.051 | -0.045 | 200.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 329 | GLU | -1 | -0.939 | -0.971 | 199.674 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 330 | LEU | 0 | 0.037 | 0.024 | 202.727 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 331 | LYS | 1 | 0.952 | 0.973 | 204.386 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 332 | LYS | 1 | 0.874 | 0.919 | 202.661 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 333 | LEU | 0 | 0.001 | 0.016 | 206.591 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 334 | ILE | 0 | 0.027 | -0.002 | 207.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 335 | LEU | 0 | -0.066 | -0.033 | 210.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 336 | LYS | 1 | 0.968 | 1.004 | 212.438 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 337 | LYS | 1 | 0.844 | 0.922 | 213.793 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 338 | HIS | 0 | 0.057 | 0.040 | 215.852 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |