FMODB ID: MMKMZ
Calculation Name: 3FHN-A-Xray312
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3FHN
Chain ID: A
UniProt ID: P33891
Base Structure: X-ray
Registration Date: 2021-09-06
Reference: C. Watanabe, S. Koyama, K. Kamisaka, D. Takaya, T. Honma et. al., Interaction energy analysis of Apo structure dataset on FMODB, To be pubulished.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 1.20200116 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 682 |
LigandCharge | |
Software | ABINIT-MP - Open Ver.1 Rev. 15 / 20190524 |
Total energy (hartree)
FMO2-HF: Electronic energy | -13432713.667491 |
---|---|
FMO2-HF: Nuclear repulsion | 13158776.543296 |
FMO2-HF: Total energy | -273937.124195 |
FMO2-MP2: Total energy | -274746.915413 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:4:ACE )
Summations of interaction energy for
fragment #1(A:4:ACE )
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. |
0.971 | 2.288 | 1.08 | -0.979 | -1.418 | 0 |
Interaction energy analysis for fragmet #1(A:4:ACE )
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 6 | ASP | -1 | -0.813 | -0.916 | 3.839 | 0.672 | 1.407 | -0.005 | -0.268 | -0.462 | 0.000 |
4 | A | 7 | LEU | 0 | -0.016 | -0.019 | 2.323 | 0.147 | 0.451 | 1.079 | -0.639 | -0.745 | 0.000 |
5 | A | 8 | LEU | 0 | 0.000 | 0.010 | 3.660 | 0.320 | 0.540 | 0.006 | -0.067 | -0.158 | 0.000 |
6 | A | 9 | ASN | 0 | 0.046 | 0.017 | 4.812 | 0.162 | 0.220 | 0.000 | -0.005 | -0.053 | 0.000 |
7 | A | 10 | ILE | 0 | -0.003 | -0.010 | 7.606 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 11 | ASN | 0 | -0.065 | -0.029 | 6.592 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 12 | ASP | -1 | -0.853 | -0.933 | 8.513 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 13 | ARG | 1 | 0.924 | 0.967 | 10.841 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 14 | ILE | 0 | -0.043 | -0.005 | 11.149 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 15 | LYS | 1 | 0.958 | 0.975 | 10.562 | -0.356 | -0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 16 | GLN | 0 | 0.003 | 0.004 | 14.812 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 17 | VAL | 0 | 0.023 | 0.020 | 16.744 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 18 | GLN | 0 | -0.066 | -0.043 | 16.706 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 19 | ASN | 0 | 0.014 | 0.020 | 18.227 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 20 | GLU | -1 | -0.851 | -0.931 | 20.453 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 21 | ARG | 1 | 0.913 | 0.957 | 20.177 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 22 | ASN | 0 | -0.040 | -0.029 | 23.417 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 23 | GLU | -1 | -0.938 | -0.968 | 23.647 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 24 | LEU | 0 | 0.000 | 0.003 | 26.793 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 25 | ALA | 0 | 0.004 | 0.014 | 28.090 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 26 | SER | 0 | -0.007 | -0.015 | 29.685 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 27 | LYS | 1 | 0.950 | 0.978 | 30.001 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 28 | LEU | 0 | 0.026 | 0.020 | 32.527 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 29 | GLN | 0 | -0.020 | -0.006 | 34.206 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 30 | ASN | 0 | -0.006 | -0.031 | 34.357 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 31 | LEU | 0 | -0.006 | 0.014 | 36.971 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 32 | LYS | 1 | 0.954 | 0.969 | 36.391 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 33 | GLN | 0 | -0.001 | -0.002 | 39.472 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 34 | SER | 0 | -0.033 | -0.014 | 41.284 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 35 | LEU | 0 | -0.029 | -0.012 | 41.347 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 36 | ALA | 0 | 0.030 | 0.029 | 44.726 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 37 | SER | 0 | 0.036 | 0.017 | 46.211 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 38 | ASN | 0 | -0.086 | -0.024 | 46.475 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 39 | ASP | -1 | -0.758 | -0.905 | 49.208 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 40 | THR | 0 | -0.026 | -0.021 | 51.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 41 | GLU | -1 | -0.897 | -0.948 | 54.359 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 42 | VAL | 0 | -0.078 | -0.021 | 52.393 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 43 | ALA | 0 | 0.021 | 0.011 | 52.694 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 44 | LEU | 0 | -0.051 | -0.009 | 46.384 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 45 | SER | 0 | -0.001 | -0.005 | 47.504 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 46 | GLU | -1 | -0.899 | -0.955 | 40.685 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 47 | VAL | 0 | 0.023 | -0.016 | 42.958 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 48 | ILE | 0 | 0.013 | 0.023 | 43.634 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 49 | ALA | 0 | 0.024 | 0.024 | 42.892 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 50 | GLN | 0 | -0.016 | -0.032 | 38.346 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 51 | ASP | -1 | -0.873 | -0.941 | 40.154 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 52 | ILE | 0 | -0.065 | -0.030 | 42.399 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 53 | ILE | 0 | -0.102 | -0.065 | 36.914 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 54 | GLU | -1 | -0.984 | -0.956 | 36.500 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 55 | VAL | 0 | -0.048 | -0.011 | 38.945 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 56 | GLY | 0 | 0.061 | 0.029 | 41.263 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 57 | ALA | 0 | -0.066 | -0.032 | 40.768 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 58 | SER | 0 | -0.026 | -0.011 | 42.758 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 59 | VAL | 0 | 0.032 | 0.002 | 44.763 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 60 | GLU | -1 | -0.922 | -0.976 | 47.350 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 61 | GLY | 0 | 0.032 | 0.010 | 45.611 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 62 | LEU | 0 | -0.014 | -0.002 | 46.491 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 63 | GLU | -1 | -0.846 | -0.917 | 48.489 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 64 | GLN | 0 | -0.027 | -0.011 | 47.816 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 65 | LEU | 0 | -0.125 | -0.055 | 45.121 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 66 | ARG | 1 | 0.905 | 0.948 | 49.530 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 67 | ALA | 0 | -0.059 | -0.021 | 52.945 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 68 | LYS | 1 | 0.899 | 0.956 | 47.184 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 69 | TYR | 0 | -0.052 | -0.032 | 46.367 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 70 | GLY | 0 | 0.037 | 0.026 | 53.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 71 | ASP | -1 | -0.881 | -0.957 | 54.689 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 72 | LEU | 0 | 0.017 | 0.024 | 51.311 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 73 | GLN | 0 | -0.063 | -0.038 | 54.008 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 74 | ILE | 0 | -0.003 | -0.005 | 47.561 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 75 | LEU | 0 | 0.032 | 0.018 | 49.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 76 | ASN | 0 | 0.063 | 0.049 | 50.779 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 77 | LYS | 1 | 0.730 | 0.858 | 49.604 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 78 | LEU | 0 | 0.015 | 0.012 | 45.522 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 79 | GLU | -1 | -0.786 | -0.931 | 48.568 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 80 | LYS | 1 | 0.899 | 0.965 | 50.534 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 81 | VAL | 0 | 0.003 | -0.008 | 46.825 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 82 | ALA | 0 | 0.042 | 0.031 | 47.008 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 83 | VAL | 0 | 0.018 | -0.010 | 48.029 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 84 | GLN | 0 | -0.020 | -0.012 | 49.634 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 85 | GLN | 0 | -0.022 | -0.018 | 42.827 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 86 | THR | 0 | -0.020 | -0.015 | 46.617 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 87 | GLN | 0 | 0.003 | 0.004 | 47.617 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 88 | MET | 0 | 0.002 | 0.025 | 46.462 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 89 | GLN | 0 | -0.031 | -0.016 | 42.978 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 90 | ALA | 0 | 0.060 | 0.030 | 46.359 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 91 | GLY | 0 | -0.048 | -0.030 | 48.878 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 92 | VAL | 0 | -0.008 | -0.011 | 44.873 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 93 | ASP | -1 | -0.863 | -0.917 | 44.720 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 94 | LYS | 1 | 0.858 | 0.924 | 47.364 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 95 | LEU | 0 | -0.027 | -0.004 | 49.872 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 96 | ASP | -1 | -0.807 | -0.901 | 44.935 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 97 | SER | 0 | -0.117 | -0.071 | 48.388 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 98 | PHE | 0 | -0.018 | -0.022 | 50.109 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 99 | GLU | -1 | -0.922 | -0.970 | 47.922 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 100 | ARG | 1 | 0.969 | 0.988 | 46.366 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 101 | GLN | 0 | 0.062 | 0.039 | 50.739 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 102 | LEU | 0 | -0.026 | -0.012 | 54.279 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 103 | ASP | -1 | -0.834 | -0.911 | 50.168 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 104 | GLU | -1 | -0.974 | -0.979 | 53.427 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 105 | LEU | 0 | -0.019 | -0.012 | 54.821 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 106 | ALA | 0 | -0.047 | -0.039 | 56.230 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 107 | GLU | -1 | -0.923 | -0.933 | 55.391 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 108 | GLN | 0 | -0.043 | -0.007 | 58.688 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 109 | PRO | 0 | -0.014 | -0.008 | 61.702 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 110 | PRO | 0 | -0.004 | -0.037 | 64.676 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 111 | ASP | -1 | -0.887 | -0.943 | 66.878 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 112 | GLN | 0 | -0.072 | -0.037 | 65.004 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 113 | PHE | 0 | -0.003 | 0.020 | 62.010 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 114 | THR | 0 | -0.027 | -0.024 | 68.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 115 | LEU | 0 | -0.027 | -0.026 | 69.496 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 116 | ASP | -1 | -0.908 | -0.964 | 70.223 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 117 | ASP | -1 | -0.792 | -0.884 | 65.862 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 118 | VAL | 0 | -0.010 | 0.004 | 65.276 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 119 | LYS | 1 | 0.995 | 0.983 | 65.528 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 120 | ALA | 0 | -0.047 | -0.009 | 64.502 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 121 | LEU | 0 | 0.018 | 0.000 | 59.636 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 122 | HIS | 0 | 0.012 | 0.017 | 61.464 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 123 | SER | 0 | 0.016 | 0.003 | 63.180 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 124 | LYS | 1 | 0.859 | 0.927 | 55.821 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 125 | LEU | 0 | 0.009 | 0.020 | 56.527 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 126 | THR | 0 | -0.014 | -0.011 | 58.795 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 127 | SER | 0 | -0.034 | -0.035 | 60.089 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 128 | VAL | 0 | -0.061 | -0.021 | 53.998 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 129 | PHE | 0 | -0.013 | -0.024 | 55.758 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 130 | ALA | 0 | 0.009 | 0.013 | 57.618 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 131 | THR | 0 | -0.082 | -0.032 | 53.527 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 132 | VAL | 0 | -0.020 | -0.012 | 52.251 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 133 | PRO | 0 | -0.017 | 0.022 | 53.678 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 134 | GLN | 0 | 0.038 | -0.004 | 55.121 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 135 | ILE | 0 | -0.032 | 0.004 | 51.842 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 136 | ASN | 0 | -0.025 | -0.011 | 54.441 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 137 | ASN | 0 | -0.018 | 0.004 | 49.800 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 138 | ILE | 0 | 0.038 | 0.012 | 49.699 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 139 | ASP | -1 | -0.918 | -0.954 | 46.502 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 140 | SER | 0 | -0.020 | -0.026 | 46.065 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 141 | GLN | 0 | -0.026 | -0.015 | 41.307 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 142 | TYR | 0 | 0.114 | 0.014 | 44.912 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 143 | ALA | 0 | 0.051 | 0.046 | 46.321 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 144 | ALA | 0 | -0.073 | -0.028 | 43.879 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 145 | TYR | 0 | 0.078 | 0.023 | 45.834 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 146 | ASN | 0 | 0.027 | 0.010 | 48.404 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 147 | LYS | 1 | 0.907 | 0.959 | 45.255 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 148 | LEU | 0 | -0.003 | 0.011 | 46.734 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 149 | LYS | 1 | 1.004 | 0.999 | 49.360 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 150 | SER | 0 | -0.001 | 0.004 | 52.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 151 | LYS | 1 | 0.941 | 0.975 | 46.571 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 152 | VAL | 0 | 0.006 | 0.000 | 51.376 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 153 | THR | 0 | -0.018 | -0.009 | 53.757 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 154 | GLY | 0 | -0.007 | -0.001 | 56.019 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 155 | LYS | 1 | 0.846 | 0.901 | 49.978 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 156 | TYR | 0 | -0.007 | -0.019 | 56.332 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 157 | ASN | 0 | 0.027 | -0.006 | 58.982 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 158 | ASP | -1 | -0.930 | -0.960 | 58.594 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 159 | VAL | 0 | 0.011 | 0.003 | 56.643 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 160 | ILE | 0 | -0.031 | 0.001 | 59.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 161 | ILE | 0 | -0.037 | -0.016 | 62.583 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 162 | GLN | 0 | -0.012 | -0.009 | 63.008 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 163 | ARG | 1 | 0.863 | 0.934 | 60.488 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 164 | LEU | 0 | -0.022 | -0.005 | 64.912 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 165 | ALA | 0 | 0.027 | 0.024 | 67.745 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 166 | THR | 0 | -0.038 | -0.022 | 68.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 167 | ASN | 0 | -0.012 | -0.002 | 69.040 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 168 | TRP | 0 | 0.025 | -0.002 | 70.227 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 169 | SER | 0 | -0.059 | -0.029 | 73.221 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 170 | ASN | 0 | 0.023 | 0.011 | 72.014 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 171 | THR | 0 | -0.014 | -0.002 | 74.678 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 172 | PHE | 0 | -0.070 | -0.049 | 77.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 173 | ASP | -1 | -0.864 | -0.952 | 77.894 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 174 | GLN | 0 | -0.020 | 0.003 | 78.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 175 | LYS | 1 | 0.987 | 0.986 | 81.415 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 176 | LEU | 0 | -0.019 | 0.001 | 82.179 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 177 | LEU | 0 | 0.020 | 0.033 | 82.904 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 178 | GLU | -1 | -0.958 | -0.968 | 84.753 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 179 | ALA | 0 | -0.092 | -0.051 | 87.845 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 180 | GLN | 0 | 0.002 | -0.004 | 89.455 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 181 | TRP | 0 | -0.006 | 0.002 | 86.226 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 182 | ASP | -1 | -0.830 | -0.908 | 89.153 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 183 | THR | 0 | -0.014 | -0.034 | 91.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 184 | GLN | 0 | 0.017 | -0.008 | 94.909 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 185 | LYS | 1 | 0.898 | 0.973 | 95.329 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 186 | PHE | 0 | 0.043 | 0.035 | 91.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 187 | ALA | 0 | 0.039 | 0.028 | 95.095 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 188 | SER | 0 | -0.022 | -0.025 | 95.595 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 189 | THR | 0 | 0.015 | -0.003 | 96.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 190 | SER | 0 | -0.015 | 0.000 | 94.696 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 191 | VAL | 0 | 0.013 | 0.026 | 94.737 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 192 | GLY | 0 | 0.001 | -0.021 | 92.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 193 | LEU | 0 | 0.005 | -0.008 | 89.431 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 194 | VAL | 0 | 0.021 | 0.007 | 89.047 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 195 | LYN | 0 | 0.004 | 0.044 | 88.672 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 196 | CYS | 0 | 0.066 | 0.031 | 85.340 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 197 | LEU | 0 | -0.037 | -0.026 | 84.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 198 | ARG | 1 | 0.949 | 0.965 | 83.978 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 199 | GLU | -1 | -0.893 | -0.945 | 82.733 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 200 | ASN | 0 | -0.053 | -0.031 | 79.685 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 201 | SER | 0 | -0.027 | -0.006 | 79.119 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 202 | THR | 0 | 0.025 | -0.002 | 79.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 203 | LYS | 1 | 0.936 | 0.985 | 74.728 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 204 | LEU | 0 | 0.023 | 0.016 | 73.599 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 205 | TYR | 0 | -0.008 | -0.008 | 74.274 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 206 | GLN | 0 | -0.034 | -0.046 | 74.513 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 207 | LEU | 0 | 0.000 | 0.016 | 68.467 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 208 | SER | 0 | -0.029 | -0.013 | 69.858 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 209 | LEU | 0 | -0.037 | -0.014 | 69.992 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 210 | LEU | 0 | -0.064 | -0.002 | 67.083 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 211 | TYR | 0 | 0.059 | 0.031 | 63.283 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 212 | LEU | 0 | -0.043 | -0.020 | 61.258 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 213 | PRO | 0 | 0.029 | 0.017 | 62.242 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 214 | LEU | 0 | -0.012 | -0.021 | 57.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 215 | GLU | -1 | -0.936 | -0.970 | 56.679 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 216 | GLU | -1 | -0.971 | -0.976 | 56.051 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 217 | NME | 0 | -0.037 | -0.011 | 58.745 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 234 | ACE | 0 | -0.040 | -0.034 | 74.530 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 235 | GLU | -1 | -0.920 | -0.973 | 67.348 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 236 | PRO | 0 | -0.015 | 0.022 | 69.004 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 237 | VAL | 0 | 0.010 | 0.001 | 69.589 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 238 | LEU | 0 | -0.016 | -0.017 | 71.678 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 239 | TRP | 0 | 0.085 | 0.018 | 68.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 240 | ASN | 0 | 0.026 | 0.017 | 74.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 241 | PHE | 0 | -0.010 | -0.024 | 77.794 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 242 | LYS | 1 | 0.960 | 0.993 | 73.724 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 243 | SER | 0 | -0.005 | 0.005 | 77.602 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 244 | LEU | 0 | -0.026 | -0.001 | 79.540 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 245 | ALA | 0 | 0.029 | 0.022 | 80.904 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 246 | ASN | 0 | 0.019 | 0.002 | 79.085 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 247 | ASN | 0 | 0.008 | -0.006 | 81.714 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 248 | PHE | 0 | 0.006 | 0.010 | 84.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 249 | ASN | 0 | 0.042 | 0.011 | 79.349 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 250 | VAL | 0 | -0.006 | 0.033 | 82.297 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 251 | ARG | 1 | 0.907 | 0.953 | 83.840 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 252 | PHE | 0 | -0.006 | -0.005 | 82.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 253 | THR | 0 | -0.034 | -0.064 | 80.274 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 254 | TYR | 0 | -0.056 | -0.011 | 83.537 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 255 | HIS | 0 | 0.002 | 0.000 | 85.963 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 256 | PHE | 0 | -0.073 | -0.029 | 85.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 257 | HIS | 0 | 0.070 | 0.026 | 82.186 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 258 | ALA | 0 | -0.046 | -0.028 | 83.553 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 259 | THR | 0 | 0.043 | 0.025 | 81.433 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 260 | SER | 0 | -0.002 | 0.018 | 81.916 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 261 | SER | 0 | 0.008 | 0.025 | 83.961 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 262 | SER | 0 | 0.094 | 0.044 | 86.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 263 | SER | 0 | 0.007 | 0.002 | 87.844 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 264 | LYS | 1 | 0.901 | 0.961 | 87.441 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 265 | ILE | 0 | 0.039 | 0.030 | 84.147 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 266 | GLU | -1 | -0.875 | -0.942 | 87.888 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 267 | THR | 0 | -0.035 | -0.028 | 90.870 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 268 | TYR | 0 | -0.056 | -0.041 | 84.419 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 269 | PHE | 0 | 0.108 | 0.032 | 85.496 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 270 | GLN | 0 | -0.048 | 0.018 | 90.247 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 271 | PHE | 0 | 0.003 | -0.001 | 88.336 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 272 | LEU | 0 | -0.004 | 0.007 | 87.125 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 273 | ASN | 0 | 0.020 | 0.000 | 90.347 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 274 | ASP | -1 | -0.870 | -0.929 | 93.379 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 275 | TYR | 0 | -0.065 | -0.040 | 88.115 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 276 | LEU | 0 | 0.021 | -0.005 | 88.122 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 277 | ALA | 0 | -0.014 | -0.006 | 92.077 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 278 | GLU | -1 | -0.953 | -0.962 | 95.009 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 279 | ASN | 0 | -0.065 | -0.058 | 91.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 280 | LEU | 0 | -0.066 | -0.015 | 89.489 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 281 | TYR | 0 | 0.058 | -0.003 | 91.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 282 | LYS | 1 | 0.854 | 0.960 | 92.923 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 283 | CYS | 0 | -0.001 | 0.005 | 86.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 284 | ILE | 0 | 0.005 | 0.003 | 89.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 285 | ASN | 0 | -0.102 | -0.052 | 90.214 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 286 | ILE | 0 | -0.022 | -0.004 | 88.736 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 287 | PHE | 0 | 0.004 | -0.030 | 84.848 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 288 | HIS | 0 | -0.055 | -0.004 | 85.839 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 289 | ASP | -1 | -0.783 | -0.914 | 84.061 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 290 | ASP | -1 | -0.838 | -0.934 | 84.247 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 291 | CYS | 0 | -0.100 | -0.038 | 84.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 292 | ASN | 0 | -0.031 | -0.015 | 80.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 293 | GLY | 0 | 0.017 | 0.011 | 79.803 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 294 | LEU | 0 | -0.053 | -0.008 | 80.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 295 | THR | 0 | 0.045 | 0.017 | 83.130 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 296 | LYS | 1 | 0.956 | 0.966 | 85.777 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 297 | PRO | 0 | 0.005 | 0.002 | 86.487 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 298 | VAL | 0 | 0.062 | 0.046 | 81.535 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 299 | ILE | 0 | -0.003 | 0.023 | 83.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 300 | HIS | 0 | -0.008 | -0.014 | 85.277 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 301 | GLU | -1 | -0.799 | -0.905 | 82.888 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 302 | GLN | 0 | -0.009 | -0.039 | 78.477 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 303 | PHE | 0 | 0.036 | 0.015 | 81.825 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 304 | ILE | 0 | 0.057 | 0.023 | 83.797 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 305 | ASN | 0 | 0.036 | 0.030 | 77.322 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 306 | TYR | 0 | -0.008 | -0.007 | 75.109 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 307 | VAL | 0 | -0.017 | -0.012 | 80.235 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 308 | LEU | 0 | -0.002 | 0.000 | 81.658 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 309 | GLN | 0 | -0.033 | -0.005 | 75.181 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 310 | PRO | 0 | 0.019 | 0.015 | 78.743 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 311 | ILE | 0 | -0.025 | -0.009 | 80.209 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 312 | ARG | 1 | 0.794 | 0.884 | 77.321 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 313 | ASP | -1 | -0.811 | -0.906 | 75.078 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 314 | LYS | 1 | 0.839 | 0.943 | 77.336 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 315 | VAL | 0 | -0.016 | -0.003 | 79.789 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 316 | ARG | 1 | 0.992 | 0.992 | 69.301 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 317 | SER | 0 | -0.074 | -0.045 | 75.276 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 318 | THR | 0 | -0.036 | -0.071 | 76.348 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 319 | LEU | 0 | -0.023 | 0.002 | 75.755 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 320 | PHE | 0 | 0.013 | 0.000 | 71.643 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 321 | GLN | 0 | -0.121 | -0.028 | 74.489 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 322 | ASN | 0 | 0.056 | 0.041 | 75.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 323 | ASP | -1 | -0.965 | -0.990 | 77.572 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 324 | LEU | 0 | 0.012 | -0.010 | 75.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 325 | LYS | 1 | 0.969 | 0.974 | 79.052 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 326 | THR | 0 | 0.052 | 0.021 | 81.726 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 327 | LEU | 0 | 0.010 | 0.031 | 76.370 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 328 | ILE | 0 | -0.024 | 0.003 | 80.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 329 | VAL | 0 | -0.023 | -0.018 | 82.491 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 330 | LEU | 0 | 0.008 | -0.023 | 81.216 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 331 | ILE | 0 | 0.019 | 0.032 | 77.970 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 332 | SER | 0 | -0.029 | -0.007 | 82.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 333 | GLN | 0 | 0.021 | -0.003 | 85.673 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 334 | ILE | 0 | -0.021 | 0.017 | 80.386 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 335 | LEU | 0 | 0.046 | 0.023 | 82.130 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 336 | ALA | 0 | -0.046 | -0.027 | 85.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 337 | THR | 0 | -0.031 | -0.052 | 87.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 338 | ASP | -1 | -0.788 | -0.889 | 83.523 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 339 | LYS | 1 | 0.877 | 0.953 | 86.631 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 340 | ASN | 0 | -0.015 | -0.017 | 89.001 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 341 | LEU | 0 | 0.002 | 0.008 | 86.121 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 342 | LEU | 0 | -0.011 | 0.005 | 87.265 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 343 | ASN | 0 | -0.006 | -0.014 | 89.342 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 344 | SER | 0 | -0.074 | -0.029 | 92.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 345 | PHE | 0 | -0.050 | -0.035 | 90.554 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 346 | HIS | 0 | -0.044 | -0.016 | 90.870 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 347 | TYR | 0 | -0.067 | -0.015 | 81.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 348 | HIS | 0 | 0.012 | -0.018 | 84.558 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 349 | GLY | 0 | -0.036 | -0.007 | 81.226 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 350 | LEU | 0 | -0.014 | 0.006 | 75.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 351 | GLY | 0 | 0.067 | 0.042 | 79.986 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 352 | LEU | 0 | -0.024 | -0.054 | 80.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 353 | VAL | 0 | 0.029 | 0.023 | 78.179 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 354 | SER | 0 | 0.000 | 0.000 | 75.045 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 355 | LEU | 0 | -0.060 | -0.017 | 74.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 356 | ILE | 0 | -0.069 | -0.035 | 74.689 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 357 | SER | 0 | -0.022 | -0.010 | 69.407 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 358 | ASP | -1 | -0.826 | -0.896 | 68.111 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 359 | GLU | -1 | -0.832 | -0.931 | 66.161 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 360 | VAL | 0 | -0.097 | -0.058 | 69.231 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 361 | TRP | 0 | 0.057 | 0.022 | 72.738 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 362 | GLU | -1 | -0.855 | -0.930 | 68.619 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 363 | LYS | 1 | 0.920 | 0.970 | 71.887 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 364 | TRP | 0 | -0.016 | -0.012 | 73.229 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 365 | ILE | 0 | 0.078 | 0.043 | 74.769 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 366 | ASN | 0 | -0.037 | 0.009 | 73.066 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 367 | TYR | 0 | -0.019 | -0.033 | 75.163 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 368 | GLU | -1 | -0.875 | -0.951 | 77.972 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 369 | VAL | 0 | -0.027 | -0.014 | 76.535 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 370 | GLU | -1 | -0.934 | -0.980 | 76.277 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 371 | MET | 0 | -0.046 | -0.011 | 79.555 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 372 | ALA | 0 | 0.061 | 0.035 | 82.369 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 373 | ASN | 0 | -0.012 | -0.022 | 79.479 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 374 | ARG | 1 | 0.922 | 0.977 | 79.807 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 375 | GLN | 0 | -0.046 | -0.045 | 84.719 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 376 | PHE | 0 | 0.016 | 0.011 | 85.672 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 377 | ILE | 0 | 0.055 | 0.033 | 83.415 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 378 | ASN | 0 | -0.053 | -0.023 | 87.712 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 379 | ILE | 0 | -0.068 | -0.022 | 90.685 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 380 | THR | 0 | -0.094 | -0.066 | 89.253 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 381 | LYS | 1 | 0.933 | 0.984 | 89.531 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 382 | ASN | 0 | 0.000 | 0.014 | 90.828 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 383 | PRO | 0 | -0.003 | 0.010 | 94.113 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 384 | GLU | -1 | -0.868 | -0.958 | 96.523 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 385 | ASP | -1 | -0.884 | -0.939 | 94.682 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 386 | PHE | 0 | 0.014 | 0.015 | 95.205 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 387 | PRO | 0 | -0.013 | -0.012 | 97.117 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 388 | LYS | 1 | 0.933 | 0.962 | 99.412 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 389 | SER | 0 | 0.062 | 0.054 | 94.114 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 390 | SER | 0 | 0.068 | 0.041 | 94.940 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 391 | GLN | 0 | -0.030 | -0.015 | 95.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 392 | ASN | 0 | 0.015 | -0.013 | 95.266 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 393 | PHE | 0 | 0.055 | 0.043 | 87.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 394 | VAL | 0 | 0.028 | 0.020 | 92.013 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 395 | LYS | 1 | 0.883 | 0.936 | 93.847 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 396 | LEU | 0 | -0.041 | -0.001 | 88.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 397 | ILE | 0 | 0.042 | 0.008 | 87.964 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 398 | ASN | 0 | -0.042 | -0.032 | 90.134 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 399 | LYS | 1 | 0.953 | 0.978 | 91.593 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 400 | ILE | 0 | 0.026 | 0.016 | 85.426 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 401 | TYR | 0 | 0.007 | 0.006 | 87.373 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 402 | ASP | -1 | -0.875 | -0.941 | 88.864 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 403 | TYR | 0 | -0.051 | -0.015 | 83.435 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 404 | LEU | 0 | -0.061 | -0.040 | 82.744 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 405 | GLU | -1 | -0.968 | -0.960 | 85.803 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 406 | PRO | 0 | 0.045 | 0.013 | 86.717 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 407 | PHE | 0 | 0.035 | 0.009 | 77.998 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 408 | TYR | 0 | -0.058 | -0.071 | 81.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 409 | ASP | -1 | -0.891 | -0.952 | 83.890 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 410 | LEU | 0 | -0.072 | -0.035 | 80.361 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 411 | ASP | -1 | -0.902 | -0.950 | 81.816 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 412 | PHE | 0 | 0.003 | 0.007 | 74.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 413 | ASP | -1 | -0.877 | -0.971 | 73.933 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 414 | LEU | 0 | 0.071 | 0.044 | 70.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 415 | LEU | 0 | -0.032 | -0.009 | 72.724 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 416 | VAL | 0 | -0.001 | 0.011 | 74.593 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 417 | ARG | 1 | 0.919 | 0.963 | 66.990 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 418 | TYR | 0 | 0.014 | -0.028 | 69.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 419 | LYS | 1 | 0.863 | 0.953 | 75.214 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 420 | LEU | 0 | 0.038 | 0.014 | 74.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 421 | MET | 0 | -0.054 | -0.024 | 71.057 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 422 | THR | 0 | 0.058 | 0.056 | 75.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 423 | CYS | 0 | -0.054 | -0.010 | 78.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 424 | SER | 0 | -0.004 | -0.015 | 75.802 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 425 | LEU | 0 | -0.024 | -0.005 | 73.133 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 426 | ILE | 0 | 0.048 | 0.040 | 77.561 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 427 | PHE | 0 | -0.002 | 0.007 | 81.218 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 428 | MET | 0 | -0.013 | 0.004 | 80.336 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 429 | ASN | 0 | 0.054 | 0.033 | 78.937 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 430 | LEU | 0 | 0.051 | 0.018 | 80.842 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 431 | THR | 0 | -0.015 | -0.024 | 84.217 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 432 | SER | 0 | -0.027 | 0.010 | 81.606 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 433 | SER | 0 | 0.045 | 0.026 | 82.461 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 434 | TYR | 0 | -0.024 | -0.044 | 83.987 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 435 | LEU | 0 | -0.053 | -0.023 | 85.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 436 | ASP | -1 | -0.894 | -0.944 | 83.386 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 437 | TYR | 0 | 0.003 | -0.002 | 85.820 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 438 | ILE | 0 | -0.073 | -0.050 | 88.298 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 439 | LEU | 0 | -0.047 | -0.041 | 86.816 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 440 | THR | 0 | -0.036 | 0.011 | 86.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 441 | VAL | 0 | -0.003 | 0.010 | 88.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 442 | ASP | -1 | -0.871 | -0.979 | 91.845 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 443 | SER | 0 | -0.051 | -0.020 | 95.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 444 | LEU | 0 | -0.065 | -0.024 | 97.755 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 445 | ASN | 0 | 0.015 | 0.005 | 98.989 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 446 | GLU | -1 | -0.906 | -0.943 | 97.907 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 447 | THR | 0 | -0.016 | 0.008 | 99.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 448 | ARG | 1 | 0.845 | 0.920 | 96.691 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 449 | THR | 0 | 0.018 | 0.014 | 103.753 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 450 | LYS | 1 | 0.984 | 0.965 | 103.085 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 451 | GLU | -1 | -0.827 | -0.902 | 103.978 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 452 | GLN | 0 | 0.022 | 0.007 | 104.168 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 453 | GLU | -1 | -0.851 | -0.928 | 99.441 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 454 | LEU | 0 | -0.061 | -0.017 | 100.525 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 455 | TYR | 0 | -0.005 | -0.041 | 102.052 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 456 | GLN | 0 | 0.070 | 0.056 | 97.494 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 457 | THR | 0 | -0.022 | -0.004 | 97.229 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 458 | MET | 0 | -0.040 | -0.026 | 98.546 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 459 | ALA | 0 | -0.001 | 0.003 | 100.280 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 460 | LYS | 1 | 0.859 | 0.947 | 92.959 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 461 | LEU | 0 | 0.036 | 0.022 | 96.083 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 462 | GLN | 0 | -0.064 | -0.053 | 97.438 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 463 | HIS | 1 | 0.781 | 0.889 | 95.668 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 464 | VAL | 0 | 0.066 | 0.021 | 92.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 465 | ASN | 0 | 0.022 | -0.019 | 93.965 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 466 | PHE | 0 | -0.079 | -0.014 | 96.313 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 467 | VAL | 0 | 0.032 | 0.000 | 90.736 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 468 | TYR | 0 | -0.050 | -0.040 | 90.327 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 469 | ARG | 1 | 0.866 | 0.930 | 92.711 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 470 | LYS | 1 | 0.930 | 0.983 | 92.449 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 471 | ILE | 0 | 0.055 | 0.039 | 87.887 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 472 | LYS | 1 | 1.008 | 1.001 | 90.445 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 473 | SER | 0 | -0.095 | -0.009 | 91.928 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 474 | LEU | 0 | 0.009 | 0.016 | 87.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 475 | SER | 0 | -0.062 | -0.055 | 87.957 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 476 | SER | 0 | -0.073 | -0.045 | 89.008 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 477 | ASN | 0 | -0.010 | -0.006 | 89.064 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 478 | PHE | 0 | 0.081 | 0.014 | 87.559 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 479 | ILE | 0 | 0.084 | 0.050 | 84.537 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 480 | PHE | 0 | 0.003 | -0.029 | 83.516 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 481 | ILE | 0 | -0.035 | 0.013 | 84.128 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 482 | GLN | 0 | 0.050 | 0.030 | 83.189 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 483 | LEU | 0 | -0.023 | -0.014 | 79.054 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 484 | THR | 0 | -0.019 | -0.021 | 79.181 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 485 | ASP | -1 | -0.879 | -0.929 | 79.457 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 486 | ILE | 0 | -0.018 | -0.011 | 75.660 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 487 | VAL | 0 | -0.012 | -0.004 | 74.732 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 488 | ASN | 0 | 0.009 | -0.010 | 74.905 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 489 | SER | 0 | -0.084 | -0.030 | 75.637 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 490 | THR | 0 | -0.017 | -0.018 | 70.701 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 491 | GLU | -1 | -0.961 | -0.975 | 70.374 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 492 | SER | 0 | -0.059 | -0.027 | 71.270 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 493 | LYS | 1 | 0.909 | 0.970 | 70.764 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 494 | LYS | 1 | 0.949 | 0.965 | 75.565 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 495 | TYR | 0 | -0.016 | 0.007 | 74.650 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 496 | ASN | 0 | -0.011 | -0.010 | 80.755 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 497 | SER | 0 | 0.058 | 0.014 | 83.115 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 498 | LEU | 0 | 0.024 | 0.026 | 78.714 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 499 | PHE | 0 | -0.022 | -0.041 | 81.512 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 500 | GLN | 0 | 0.052 | 0.029 | 81.817 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 501 | ASN | 0 | 0.004 | 0.006 | 77.863 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 502 | VAL | 0 | 0.066 | 0.028 | 81.825 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 503 | GLU | -1 | -0.909 | -0.967 | 83.966 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 504 | ASN | 0 | 0.024 | 0.006 | 82.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 505 | ASP | -1 | -0.956 | -0.970 | 82.546 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 506 | TYR | 0 | -0.034 | -0.058 | 85.439 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 507 | GLU | -1 | -0.850 | -0.908 | 88.911 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 508 | LYS | 1 | 0.963 | 0.981 | 82.841 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 509 | ALA | 0 | 0.060 | 0.050 | 88.615 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 510 | MET | 0 | -0.074 | -0.032 | 90.008 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 511 | SER | 0 | -0.053 | -0.049 | 91.884 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 512 | THR | 0 | -0.062 | -0.015 | 89.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 513 | ASP | -1 | -0.861 | -0.923 | 88.275 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 514 | MET | 0 | -0.013 | -0.015 | 91.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 515 | GLN | 0 | 0.013 | 0.019 | 94.783 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 516 | ASN | 0 | 0.019 | -0.011 | 92.802 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 517 | SER | 0 | 0.000 | 0.019 | 94.937 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 518 | ILE | 0 | -0.001 | -0.001 | 96.774 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 519 | VAL | 0 | 0.022 | 0.012 | 99.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 520 | HIS | 0 | -0.034 | -0.030 | 95.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 521 | ARG | 1 | 0.933 | 0.974 | 96.203 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 522 | ILE | 0 | 0.057 | 0.037 | 101.573 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 523 | GLN | 0 | -0.007 | 0.004 | 101.323 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 524 | LYS | 1 | 0.901 | 0.945 | 97.654 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 525 | LEU | 0 | 0.014 | -0.006 | 104.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 526 | LEU | 0 | 0.003 | 0.004 | 107.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 527 | LYS | 1 | 0.992 | 0.985 | 106.051 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 528 | GLU | -1 | -0.933 | -0.964 | 108.233 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 529 | THR | 0 | -0.077 | -0.034 | 110.023 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 530 | LEU | 0 | 0.030 | 0.028 | 111.297 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 531 | ARG | 1 | 0.911 | 0.961 | 109.512 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 532 | ASN | 0 | 0.012 | -0.021 | 114.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 533 | TYR | 0 | 0.020 | 0.015 | 116.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 534 | PHE | 0 | -0.083 | -0.042 | 112.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 535 | LYS | 1 | 0.937 | 0.964 | 115.980 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 536 | ILE | 0 | -0.010 | 0.037 | 118.925 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 537 | SER | 0 | 0.031 | 0.009 | 121.359 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 538 | THR | 0 | 0.041 | -0.006 | 123.918 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 539 | TRP | 0 | -0.042 | -0.016 | 120.587 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 540 | SER | 0 | -0.034 | -0.001 | 125.015 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 541 | THR | 0 | -0.027 | -0.022 | 127.168 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 542 | LEU | 0 | 0.023 | 0.054 | 127.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 543 | GLU | -1 | -0.839 | -0.928 | 131.245 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 544 | MET | 0 | 0.000 | -0.021 | 128.007 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 545 | SER | 0 | 0.085 | 0.039 | 133.227 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 546 | VAL | 0 | -0.067 | -0.035 | 136.455 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 547 | ASP | -1 | -0.923 | -0.956 | 131.999 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 548 | GLU | -1 | -0.855 | -0.926 | 131.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 549 | ASN | 0 | -0.069 | -0.045 | 133.593 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 550 | ILE | 0 | 0.007 | -0.004 | 137.266 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 551 | GLY | 0 | -0.006 | -0.014 | 139.394 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 552 | PRO | 0 | -0.059 | 0.010 | 134.924 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 553 | SER | 0 | -0.001 | -0.004 | 133.618 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 554 | SER | 0 | 0.016 | 0.018 | 129.396 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 555 | VAL | 0 | -0.007 | -0.002 | 127.726 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 556 | PRO | 0 | -0.075 | -0.041 | 123.053 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 557 | SER | 0 | -0.003 | -0.052 | 122.537 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 558 | ALA | 0 | 0.078 | 0.039 | 123.383 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 559 | GLU | -1 | -0.926 | -0.974 | 120.581 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 560 | LEU | 0 | -0.073 | -0.032 | 117.048 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 561 | VAL | 0 | 0.030 | 0.014 | 119.172 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 562 | ASN | 0 | 0.009 | -0.004 | 115.742 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 563 | SER | 0 | -0.001 | -0.017 | 114.480 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 564 | ILE | 0 | 0.030 | 0.012 | 115.039 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 565 | ASN | 0 | -0.011 | -0.003 | 116.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 566 | VAL | 0 | -0.021 | -0.006 | 111.305 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 567 | LEU | 0 | 0.032 | 0.024 | 110.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 568 | ARG | 1 | 0.995 | 0.998 | 112.477 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 569 | ARG | 1 | 0.881 | 0.941 | 112.327 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 570 | LEU | 0 | -0.036 | -0.039 | 107.515 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 571 | ILE | 0 | 0.020 | 0.015 | 108.848 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 572 | ASN | 0 | -0.028 | 0.002 | 110.328 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 573 | LYS | 1 | 0.955 | 0.976 | 107.087 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 574 | LEU | 0 | -0.018 | 0.000 | 103.518 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 575 | ASP | -1 | -0.875 | -0.942 | 106.695 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 576 | SER | 0 | -0.059 | -0.027 | 108.717 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 577 | MET | 0 | -0.095 | -0.022 | 103.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 578 | ASP | -1 | -0.811 | -0.894 | 102.614 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 579 | ILE | 0 | -0.014 | -0.018 | 100.216 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 580 | PRO | 0 | 0.006 | 0.014 | 97.596 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 581 | LEU | 0 | 0.084 | 0.021 | 100.749 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 582 | ALA | 0 | 0.029 | 0.007 | 99.134 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 583 | ILE | 0 | 0.028 | 0.013 | 96.076 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 584 | SER | 0 | 0.023 | 0.020 | 100.202 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 585 | LEU | 0 | 0.032 | -0.001 | 103.651 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 586 | LYS | 1 | 0.970 | 0.999 | 96.115 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 587 | VAL | 0 | 0.010 | 0.012 | 100.825 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 588 | LYS | 1 | 0.874 | 0.952 | 102.706 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 589 | ASN | 0 | 0.036 | 0.017 | 103.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 590 | GLU | -1 | -0.922 | -0.972 | 99.957 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 591 | LEU | 0 | -0.014 | -0.008 | 103.386 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 592 | LEU | 0 | 0.017 | 0.023 | 106.021 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 593 | ASN | 0 | 0.013 | 0.000 | 103.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 594 | VAL | 0 | -0.008 | 0.010 | 103.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 595 | ILE | 0 | 0.018 | 0.001 | 106.240 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 596 | VAL | 0 | -0.012 | -0.006 | 109.239 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 597 | ASN | 0 | -0.049 | -0.046 | 104.755 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 598 | TYR | 0 | -0.002 | 0.023 | 108.476 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 599 | PHE | 0 | 0.067 | 0.008 | 110.245 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 600 | THR | 0 | -0.027 | -0.012 | 110.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 601 | GLU | -1 | -0.932 | -0.989 | 107.447 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 602 | SER | 0 | -0.073 | -0.045 | 110.140 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 603 | ILE | 0 | -0.017 | 0.025 | 112.182 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 604 | LEU | 0 | 0.005 | 0.005 | 115.258 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 605 | LYS | 1 | 0.917 | 0.969 | 108.859 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 606 | LEU | 0 | -0.056 | -0.018 | 111.877 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 607 | ASN | 0 | -0.004 | 0.009 | 115.890 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 608 | LYS | 1 | 0.947 | 0.993 | 119.620 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 609 | PHE | 0 | -0.025 | -0.022 | 119.482 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 610 | ASN | 0 | 0.069 | 0.022 | 124.611 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 611 | GLN | 0 | -0.039 | -0.026 | 128.115 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 612 | ASN | 0 | -0.010 | 0.023 | 128.407 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 613 | GLY | 0 | 0.050 | 0.013 | 126.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 614 | LEU | 0 | -0.037 | -0.034 | 122.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 615 | ASN | 0 | -0.024 | -0.034 | 123.750 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 616 | GLN | 0 | 0.020 | 0.030 | 124.741 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 617 | PHE | 0 | 0.005 | 0.011 | 116.303 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 618 | LEU | 0 | -0.019 | -0.016 | 119.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 619 | HIS | 0 | 0.012 | 0.028 | 121.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 620 | ASP | -1 | -0.676 | -0.811 | 120.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 621 | PHE | 0 | -0.036 | -0.031 | 113.222 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 622 | LYS | 1 | 0.893 | 0.958 | 117.158 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 623 | SER | 0 | 0.013 | 0.024 | 118.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 624 | LEU | 0 | -0.020 | 0.002 | 113.746 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 625 | SER | 0 | -0.035 | -0.057 | 113.767 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 626 | SER | 0 | -0.047 | -0.028 | 114.208 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 627 | ILE | 0 | -0.014 | 0.003 | 113.793 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 628 | LEU | 0 | -0.059 | -0.043 | 109.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 629 | SER | 0 | 0.007 | 0.004 | 111.569 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 630 | LEU | 0 | -0.041 | -0.014 | 107.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 631 | PRO | 0 | -0.005 | 0.011 | 109.837 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 632 | SER | 0 | 0.081 | 0.008 | 112.856 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 633 | HIS | 0 | -0.061 | -0.036 | 114.781 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 634 | ALA | 0 | 0.044 | 0.059 | 110.670 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 635 | THR | 0 | -0.020 | -0.020 | 110.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 636 | ASN | 0 | 0.034 | 0.016 | 107.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 637 | TYR | 0 | 0.018 | -0.004 | 106.428 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 638 | LYS | 1 | 0.905 | 0.959 | 105.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 639 | CYS | 0 | 0.024 | 0.019 | 108.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 640 | MET | 0 | 0.002 | 0.010 | 111.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 641 | SER | 0 | -0.002 | -0.026 | 110.403 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 642 | LEU | 0 | -0.003 | 0.017 | 112.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 643 | HIS | 0 | 0.007 | -0.005 | 114.407 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 644 | GLU | -1 | -0.742 | -0.885 | 114.516 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 645 | LEU | 0 | -0.029 | -0.006 | 113.493 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 646 | VAL | 0 | 0.009 | -0.004 | 116.846 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 647 | LYS | 1 | 0.909 | 0.968 | 119.903 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 648 | ILE | 0 | 0.030 | 0.004 | 117.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 649 | LEU | 0 | 0.004 | 0.001 | 118.554 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 650 | LYS | 1 | 0.924 | 0.966 | 122.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 651 | LEU | 0 | 0.009 | 0.021 | 122.542 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 652 | LYS | 1 | 0.873 | 0.957 | 125.991 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 653 | TYR | 0 | -0.124 | -0.139 | 127.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 654 | ASP | -1 | -0.837 | -0.917 | 128.709 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 655 | PRO | 0 | 0.041 | 0.008 | 130.680 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 656 | ASN | 0 | -0.007 | -0.017 | 132.311 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 657 | ASN | 0 | 0.039 | 0.044 | 127.271 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 658 | GLN | 0 | -0.045 | 0.010 | 127.755 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 659 | GLN | 0 | -0.035 | -0.042 | 126.770 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 660 | PHE | 0 | -0.017 | -0.034 | 122.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 661 | LEU | 0 | -0.005 | 0.000 | 123.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 662 | ASN | 0 | 0.074 | 0.039 | 124.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 663 | PRO | 0 | 0.031 | -0.001 | 121.897 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 664 | GLU | -1 | -0.947 | -0.977 | 120.594 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 665 | TYR | 0 | -0.017 | 0.036 | 119.757 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 666 | ILE | 0 | 0.004 | -0.004 | 116.934 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 667 | LYS | 1 | 0.935 | 0.961 | 115.720 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 668 | THR | 0 | -0.042 | -0.027 | 115.013 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 669 | GLY | 0 | -0.021 | -0.008 | 113.200 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 670 | ASN | 0 | 0.007 | 0.010 | 113.261 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 671 | PHE | 0 | -0.007 | -0.011 | 113.915 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 672 | THR | 0 | 0.019 | -0.004 | 116.113 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 673 | SER | 0 | 0.011 | 0.005 | 117.789 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 674 | LEU | 0 | 0.010 | 0.011 | 118.763 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 675 | LYS | 1 | 0.937 | 0.972 | 111.357 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 676 | GLU | -1 | -0.891 | -0.944 | 118.205 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 677 | ALA | 0 | 0.000 | 0.024 | 120.745 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 678 | TYR | 0 | -0.100 | -0.079 | 121.233 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 679 | SER | 0 | -0.039 | -0.015 | 119.695 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 680 | ILE | 0 | -0.056 | -0.022 | 114.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 681 | LYS | 1 | 0.947 | 0.974 | 113.227 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 682 | TYR | 0 | -0.049 | -0.029 | 109.657 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 683 | LEU | 0 | -0.062 | -0.029 | 110.005 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 684 | LYS | 1 | 0.969 | 0.970 | 103.636 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 685 | ASP | -1 | -0.776 | -0.903 | 109.520 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 686 | THR | 0 | -0.021 | -0.013 | 106.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 687 | LYS | 1 | 0.945 | 0.965 | 106.002 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 688 | ILE | 0 | 0.000 | 0.013 | 111.368 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 689 | GLN | 0 | 0.024 | 0.017 | 112.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 690 | ASP | -1 | -0.905 | -0.957 | 110.994 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 691 | ALA | 0 | -0.041 | -0.016 | 114.425 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 692 | LEU | 0 | 0.053 | 0.025 | 117.021 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 693 | TYR | 0 | 0.041 | 0.027 | 114.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 694 | ARG | 1 | 0.826 | 0.908 | 116.464 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 695 | ILE | 0 | -0.009 | -0.003 | 119.175 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 696 | ILE | 0 | 0.019 | 0.013 | 121.737 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 697 | TYR | 0 | -0.103 | -0.050 | 118.039 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 698 | GLY | 0 | -0.002 | -0.007 | 122.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 699 | ASN | 0 | -0.054 | -0.036 | 118.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 700 | ILE | 0 | -0.055 | -0.024 | 121.982 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 701 | LEU | -1 | -0.788 | -0.821 | 124.719 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |