![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 2JK2R
Calculation Name: 5I4A-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5I4A
Chain ID: A
UniProt ID: H2J4R4
Base Structure: X-ray
Registration Date: 2023-06-21
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 639 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -15602980.040631 |
---|---|
FMO2-HF: Nuclear repulsion | 15342908.68879 |
FMO2-HF: Total energy | -260071.351841 |
FMO2-MP2: Total energy | -260850.472427 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F024438/ligand_interaction/ligand_F024438.png)
Ligand Interaction
![ligand interaction](./Kdata/F024438/ligand_interaction/ligand_interaction_F024438.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:1:ALA)
Summations of interaction energy for
fragment #1(A:1:ALA)
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. |
-5.278 | 1.576 | 2.916 | -3.637 | -6.134 | -0.01 |
Interaction energy analysis for fragmet #1(A:1:ALA)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 3 | LEU | 0 | 0.004 | 0.004 | 3.805 | -0.885 | 0.571 | -0.014 | -0.647 | -0.795 | 0.003 |
4 | A | 4 | ASN | 0 | -0.021 | -0.003 | 6.289 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 5 | LEU | 0 | -0.037 | -0.030 | 9.274 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | TYR | 0 | 0.057 | 0.029 | 11.346 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | LYS | 1 | 0.936 | 0.961 | 14.117 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | ILE | 0 | -0.051 | 0.018 | 15.985 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | ASP | -1 | -0.956 | -0.971 | 19.748 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | ILE | 0 | 0.012 | 0.006 | 21.838 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | PRO | 0 | 0.061 | 0.020 | 25.433 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | LYS | 1 | 0.874 | 0.960 | 22.091 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | LYS | 1 | 0.913 | 0.957 | 27.885 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | ILE | 0 | -0.057 | -0.015 | 29.853 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | LYS | 1 | 0.976 | 1.007 | 33.166 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | ARG | 1 | 0.800 | 0.859 | 36.484 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | LEU | 0 | -0.003 | -0.001 | 39.173 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | TYR | 0 | -0.041 | -0.078 | 41.906 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | PHE | 0 | -0.030 | -0.023 | 42.510 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | TYR | 0 | 0.008 | -0.007 | 47.649 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | ASN | 0 | -0.009 | -0.015 | 51.136 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | PRO | 0 | 0.030 | 0.023 | 53.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | ASP | -1 | -0.910 | -0.941 | 56.158 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | MET | 0 | -0.107 | -0.042 | 51.323 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | GLU | -1 | -0.862 | -0.923 | 53.007 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | PRO | 0 | 0.076 | 0.036 | 49.747 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | LYS | 1 | 0.914 | 0.950 | 46.181 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | LEU | 0 | -0.042 | -0.019 | 47.007 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | PHE | 0 | 0.077 | 0.023 | 47.850 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | ALA | 0 | 0.056 | 0.030 | 43.697 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | ARG | 1 | 0.924 | 0.985 | 42.904 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | ASN | 0 | -0.003 | -0.022 | 43.281 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | LEU | 0 | 0.043 | 0.034 | 42.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | SER | 0 | -0.037 | -0.039 | 39.147 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | ARG | 1 | 0.886 | 0.945 | 38.814 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | VAL | 0 | -0.019 | -0.003 | 39.702 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | ASN | 0 | -0.002 | 0.009 | 37.598 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | ASN | 0 | -0.005 | 0.009 | 33.862 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | PHE | 0 | 0.010 | -0.009 | 31.695 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | LYS | 1 | 0.867 | 0.931 | 35.355 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | PHE | 0 | 0.085 | 0.039 | 37.386 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | GLN | 0 | -0.098 | -0.039 | 40.176 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | ASP | -1 | -0.838 | -0.929 | 41.979 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | SER | 0 | -0.023 | 0.002 | 45.743 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | ASN | 0 | 0.020 | -0.008 | 48.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | ASP | -1 | -0.848 | -0.917 | 51.341 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | LEU | 0 | -0.045 | -0.014 | 48.056 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | VAL | 0 | -0.019 | -0.013 | 44.429 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | TRP | 0 | 0.008 | 0.005 | 38.951 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | ILE | 0 | -0.053 | -0.031 | 36.811 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | GLU | -1 | -0.852 | -0.901 | 35.112 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | ILE | 0 | -0.009 | -0.019 | 33.383 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | PRO | 0 | 0.028 | -0.003 | 29.094 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | ASP | -1 | -0.894 | -0.936 | 31.170 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | ILE | 0 | -0.039 | -0.026 | 28.542 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | ASP | -1 | -0.904 | -0.948 | 31.961 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | PHE | 0 | -0.028 | -0.030 | 33.300 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | GLN | 0 | 0.001 | 0.004 | 35.544 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | ILE | 0 | -0.027 | -0.012 | 38.311 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | THR | 0 | -0.024 | 0.012 | 40.265 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | PRO | 0 | 0.045 | -0.004 | 42.337 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | LYS | 1 | 1.035 | 1.006 | 44.962 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | ASN | 0 | -0.022 | -0.010 | 45.903 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | VAL | 0 | 0.083 | 0.042 | 44.163 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | PHE | 0 | 0.002 | -0.007 | 46.903 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | GLN | 0 | -0.038 | -0.015 | 48.124 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | TYR | 0 | 0.017 | 0.010 | 49.248 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | LYS | 1 | 0.820 | 0.919 | 44.151 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | VAL | 0 | -0.013 | -0.005 | 47.834 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | GLU | -1 | -0.958 | -0.985 | 47.674 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | LYS | 1 | 0.939 | 0.987 | 45.843 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | GLU | -1 | -0.835 | -0.930 | 42.253 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | GLU | -1 | -0.809 | -0.847 | 40.720 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | ILE | 0 | -0.003 | -0.014 | 35.708 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | ILE | 0 | -0.006 | 0.006 | 34.408 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | LYS | 1 | 0.954 | 0.967 | 32.139 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | GLU | -1 | -0.823 | -0.876 | 25.878 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | GLU | -1 | -0.950 | -0.981 | 29.481 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | GLU | -1 | -0.881 | -0.933 | 30.576 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | ASP | -1 | -0.846 | -0.928 | 31.818 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | LYS | 1 | 0.978 | 1.005 | 23.967 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | LYS | 1 | 0.933 | 0.956 | 27.788 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | LEU | 0 | 0.013 | 0.026 | 29.285 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | PHE | 0 | 0.065 | 0.050 | 23.973 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | VAL | 0 | 0.013 | 0.007 | 24.032 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | LYS | 1 | 0.925 | 0.957 | 26.331 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | THR | 0 | -0.050 | -0.045 | 29.183 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | LEU | 0 | 0.064 | 0.034 | 22.792 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | TYR | 0 | -0.009 | -0.008 | 21.802 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | LYS | 1 | 0.776 | 0.899 | 26.339 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | TYR | 0 | 0.046 | 0.030 | 27.130 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | ILE | 0 | 0.037 | 0.015 | 22.484 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | LYS | 1 | 0.908 | 0.953 | 26.070 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | LYS | 1 | 0.816 | 0.896 | 28.163 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | LEU | 0 | 0.006 | 0.021 | 26.342 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | PHE | 0 | 0.014 | 0.013 | 21.573 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | LEU | 0 | -0.070 | -0.039 | 27.727 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | ASP | -1 | -0.812 | -0.882 | 31.277 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | ASN | 0 | -0.124 | -0.069 | 28.610 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | ASP | -1 | -0.882 | -0.937 | 30.276 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | PHE | 0 | -0.032 | -0.005 | 24.105 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | TYR | 0 | 0.042 | 0.016 | 29.271 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | PHE | 0 | -0.002 | 0.005 | 27.189 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | LYS | 1 | 0.998 | 1.025 | 26.742 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | LYS | 1 | 0.966 | 0.981 | 27.066 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | GLY | 0 | -0.045 | -0.032 | 24.747 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | ASN | 0 | -0.015 | -0.011 | 22.851 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | ASN | 0 | -0.013 | 0.006 | 22.121 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | PHE | 0 | 0.065 | 0.024 | 22.893 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | ILE | 0 | -0.026 | -0.012 | 24.118 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | SER | 0 | 0.055 | 0.033 | 25.122 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | ASN | 0 | 0.029 | -0.027 | 26.984 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | SER | 0 | 0.018 | 0.021 | 27.859 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | GLU | -1 | -0.924 | -0.949 | 24.000 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | VAL | 0 | -0.029 | -0.018 | 26.486 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | PHE | 0 | -0.006 | -0.002 | 24.899 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | SER | 0 | 0.055 | 0.024 | 30.238 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | LEU | 0 | -0.104 | -0.047 | 28.467 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | ASP | -1 | -0.839 | -0.923 | 31.093 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | SER | 0 | -0.139 | -0.070 | 32.688 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | ASN | 0 | -0.044 | -0.054 | 34.329 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | GLU | -1 | -0.835 | -0.906 | 35.236 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | ASN | 0 | -0.071 | -0.031 | 37.345 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | VAL | 0 | -0.047 | -0.023 | 31.546 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | ASN | 0 | 0.063 | 0.035 | 31.717 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | ALA | 0 | -0.019 | -0.011 | 26.529 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | HIS | 0 | 0.003 | -0.005 | 27.079 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | LEU | 0 | 0.025 | 0.024 | 19.841 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | THR | 0 | -0.065 | -0.006 | 21.846 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | TYR | 0 | 0.041 | 0.010 | 16.864 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | LYS | 1 | 0.877 | 0.954 | 18.440 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | ILE | 0 | 0.014 | 0.028 | 17.745 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | LYS | 1 | 0.829 | 0.907 | 17.362 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | ILE | 0 | 0.040 | 0.031 | 17.863 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | HIS | 0 | 0.043 | 0.084 | 15.439 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | ASN | 0 | -0.037 | -0.023 | 17.516 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | ILE | 0 | 0.044 | 0.027 | 12.132 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | SER | 0 | 0.031 | 0.002 | 14.831 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | ASN | 0 | 0.015 | 0.009 | 17.097 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | GLU | -1 | -0.893 | -0.917 | 17.024 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | TYR | 0 | -0.108 | -0.117 | 18.081 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | TYR | 0 | 0.001 | -0.006 | 13.041 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | LEU | 0 | 0.002 | -0.014 | 15.764 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | SER | 0 | -0.003 | -0.064 | 13.484 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | ILE | 0 | -0.018 | -0.006 | 13.622 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | LEU | 0 | -0.047 | -0.019 | 13.033 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | PRO | 0 | -0.012 | 0.003 | 13.495 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | LYS | 1 | 0.856 | 0.908 | 16.249 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | PHE | 0 | 0.045 | 0.018 | 18.999 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | THR | 0 | -0.090 | -0.086 | 22.598 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | PHE | 0 | 0.025 | 0.022 | 24.520 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | LEU | 0 | -0.016 | -0.012 | 28.941 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | SER | 0 | -0.010 | 0.003 | 32.270 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | LYS | 1 | 0.943 | 0.969 | 35.843 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | GLU | -1 | -0.851 | -0.916 | 36.945 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | PRO | 0 | 0.031 | 0.011 | 39.491 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | ALA | 0 | -0.006 | -0.011 | 40.785 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | LEU | 0 | -0.039 | -0.034 | 41.842 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | GLU | -1 | -0.929 | -0.950 | 44.262 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | SER | 0 | -0.048 | -0.002 | 40.178 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | ALA | 0 | 0.013 | -0.004 | 42.467 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | ILE | 0 | -0.033 | -0.001 | 36.554 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | LYS | 1 | 0.913 | 0.965 | 39.792 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | SER | 0 | -0.016 | -0.019 | 35.075 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | GLY | 0 | 0.061 | 0.031 | 36.539 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | TYR | 0 | -0.044 | -0.027 | 34.053 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | LEU | 0 | 0.022 | 0.029 | 35.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | TYR | 0 | -0.072 | -0.067 | 31.240 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | ASN | 0 | 0.027 | 0.034 | 34.540 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | ILE | 0 | 0.054 | 0.032 | 34.582 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | LYS | 1 | 0.917 | 0.969 | 34.799 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | SER | 0 | -0.100 | -0.053 | 35.545 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | GLY | 0 | 0.039 | 0.017 | 31.942 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | LYS | 1 | 0.882 | 0.923 | 31.553 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | SER | 0 | -0.004 | -0.011 | 32.325 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | PHE | 0 | -0.010 | -0.005 | 34.411 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | PRO | 0 | 0.022 | 0.023 | 37.631 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | TYR | 0 | 0.001 | -0.010 | 39.030 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | ILE | 0 | -0.018 | 0.010 | 41.236 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | SER | 0 | 0.037 | 0.001 | 44.760 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | GLY | 0 | -0.031 | -0.023 | 46.620 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | LEU | 0 | -0.023 | -0.003 | 47.471 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | ASP | -1 | -0.852 | -0.928 | 51.088 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | GLY | 0 | -0.019 | -0.003 | 50.834 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | ILE | 0 | 0.019 | 0.025 | 50.513 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | LEU | 0 | -0.037 | -0.026 | 42.584 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | LYS | 1 | 0.951 | 0.975 | 46.510 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | ILE | 0 | -0.033 | -0.020 | 41.622 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | ASP | -1 | -0.881 | -0.947 | 41.192 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | ILE | 0 | -0.032 | -0.021 | 41.028 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | GLY | 0 | -0.016 | -0.022 | 40.191 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | ASN | 0 | -0.106 | -0.067 | 40.839 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | ASN | 0 | 0.034 | 0.013 | 43.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | GLN | 0 | 0.046 | 0.051 | 45.345 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | ILE | 0 | 0.029 | 0.020 | 45.706 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | VAL | 0 | -0.032 | -0.023 | 46.022 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | GLU | -1 | -0.901 | -0.948 | 47.049 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | VAL | 0 | -0.050 | -0.030 | 44.097 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | ALA | 0 | 0.020 | 0.016 | 47.228 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | TYR | 0 | -0.034 | -0.025 | 44.789 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | PRO | 0 | -0.002 | -0.023 | 44.045 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | GLU | -1 | -0.748 | -0.873 | 43.136 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | ASN | 0 | -0.070 | -0.036 | 40.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | TYR | 0 | -0.045 | -0.026 | 38.499 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | LEU | 0 | 0.071 | 0.054 | 34.529 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | PHE | 0 | -0.005 | 0.014 | 36.145 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | ASN | 0 | -0.030 | -0.019 | 29.037 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | PHE | 0 | 0.004 | -0.002 | 30.970 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | THR | 0 | -0.055 | -0.039 | 28.043 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | THR | 0 | 0.027 | -0.009 | 24.023 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | ARG | 1 | 0.989 | 0.998 | 27.347 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | ASP | -1 | -0.804 | -0.899 | 30.600 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | ALA | 0 | 0.037 | 0.042 | 29.247 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | GLU | -1 | -0.977 | -0.995 | 28.826 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | LYS | 1 | 0.853 | 0.946 | 32.148 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | TYR | 0 | -0.045 | -0.051 | 34.869 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | GLY | 0 | 0.025 | 0.026 | 34.888 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | PHE | 0 | 0.061 | 0.030 | 30.394 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | SER | 0 | -0.012 | -0.022 | 28.506 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | LYS | 1 | 0.958 | 0.985 | 27.358 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | GLU | -1 | -0.707 | -0.846 | 26.847 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | VAL | 0 | -0.040 | -0.014 | 24.926 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | HIS | 0 | -0.022 | -0.028 | 23.042 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | GLU | -1 | -0.910 | -0.962 | 21.912 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | ILE | 0 | -0.026 | -0.002 | 21.648 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | TYR | 0 | -0.029 | -0.034 | 18.159 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | LYS | 1 | 0.888 | 0.978 | 17.501 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | ASN | 0 | -0.043 | -0.045 | 16.137 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | LYS | 1 | 1.022 | 1.025 | 17.737 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | VAL | 0 | 0.030 | 0.028 | 14.225 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | PHE | 0 | -0.007 | 0.000 | 9.676 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | GLU | -1 | -0.894 | -0.955 | 13.640 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | GLY | 0 | 0.030 | 0.019 | 16.345 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | PHE | 0 | 0.040 | -0.001 | 10.993 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | LYS | 1 | 0.958 | 0.990 | 13.307 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | LYS | 1 | 0.864 | 0.922 | 14.349 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | ILE | 0 | -0.006 | 0.013 | 13.550 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | PRO | 0 | 0.026 | 0.007 | 15.466 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | LYS | 1 | 0.966 | 0.983 | 18.368 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | THR | 0 | -0.018 | -0.015 | 20.802 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | LEU | 0 | -0.027 | -0.011 | 18.693 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | GLY | 0 | 0.081 | 0.054 | 21.931 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | PHE | 0 | 0.007 | 0.004 | 23.248 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | LEU | 0 | -0.042 | -0.035 | 20.152 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | ASN | 0 | 0.007 | -0.012 | 22.106 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | LYS | 1 | 0.905 | 0.972 | 23.125 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | ILE | 0 | -0.005 | -0.005 | 21.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | THR | 0 | -0.029 | -0.067 | 17.707 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | ASN | 0 | 0.092 | 0.063 | 17.167 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | LEU | 0 | -0.045 | -0.026 | 15.955 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | ASN | 0 | -0.040 | -0.027 | 14.855 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | GLU | -1 | -0.957 | -0.960 | 12.878 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | ASN | 0 | -0.028 | -0.025 | 8.275 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | TYR | 0 | 0.022 | 0.020 | 6.457 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | GLN | 0 | 0.001 | -0.002 | 3.064 | -0.471 | 0.176 | 0.052 | -0.199 | -0.500 | 0.000 |
256 | A | 256 | LEU | 0 | -0.023 | -0.010 | 2.387 | -0.753 | 0.535 | 1.546 | -0.801 | -2.033 | 0.000 |
257 | A | 257 | LYS | 1 | 0.935 | 0.972 | 4.015 | 1.284 | 1.444 | -0.001 | -0.018 | -0.141 | 0.000 |
258 | A | 258 | ASP | -1 | -0.851 | -0.939 | 5.987 | -0.405 | -0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | GLY | 0 | -0.011 | -0.003 | 6.889 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | TYR | 0 | -0.039 | -0.016 | 6.564 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | LYS | 1 | 0.923 | 0.970 | 2.647 | -1.276 | -0.720 | 0.794 | -0.375 | -0.975 | 0.002 |
262 | A | 262 | ILE | 0 | 0.036 | 0.024 | 6.579 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | PHE | 0 | 0.008 | 0.007 | 9.940 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | ILE | 0 | 0.029 | 0.020 | 11.236 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | ASN | 0 | 0.019 | 0.005 | 14.817 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | VAL | 0 | 0.001 | -0.010 | 17.493 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | ILE | 0 | -0.051 | -0.024 | 20.417 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | TYR | 0 | -0.083 | -0.080 | 23.029 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | LYS | 1 | 0.952 | 0.983 | 26.788 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | PHE | 0 | -0.025 | -0.020 | 28.639 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | LYS | 1 | 0.967 | 1.007 | 33.017 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | ASN | 0 | -0.036 | -0.032 | 36.193 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | GLY | 0 | 0.026 | 0.000 | 33.021 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | GLU | -1 | -0.884 | -0.942 | 27.849 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | SER | 0 | -0.027 | -0.051 | 26.217 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | ARG | 1 | 0.949 | 0.995 | 18.714 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | TYR | 0 | -0.073 | -0.047 | 21.665 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | ALA | 0 | 0.111 | 0.062 | 24.666 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | LYS | 1 | 0.962 | 0.962 | 25.993 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | ASP | -1 | -0.823 | -0.888 | 28.235 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | VAL | 0 | 0.030 | 0.023 | 30.237 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | PHE | 0 | -0.069 | -0.043 | 32.417 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | LYS | 1 | 0.878 | 0.956 | 30.134 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | TYR | 0 | -0.037 | -0.012 | 30.602 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | SER | 0 | 0.025 | 0.028 | 35.297 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | PHE | 0 | -0.012 | -0.013 | 35.464 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | TYR | 0 | -0.046 | -0.018 | 34.010 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | LYS | 1 | 0.968 | 0.991 | 36.027 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | ASN | 0 | 0.016 | -0.011 | 39.273 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | GLU | -1 | -0.890 | -0.937 | 41.820 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | GLN | 0 | 0.003 | 0.008 | 44.052 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | PRO | 0 | -0.053 | -0.019 | 46.119 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | LEU | 0 | 0.001 | 0.003 | 43.479 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | LYS | 1 | 0.921 | 0.963 | 46.708 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | ALA | 0 | -0.008 | -0.003 | 47.421 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | ILE | 0 | 0.000 | 0.007 | 49.372 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | PHE | 0 | -0.047 | -0.011 | 48.487 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | PHE | 0 | 0.034 | 0.009 | 50.023 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | PHE | 0 | -0.004 | -0.019 | 50.198 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | SER | 0 | 0.013 | -0.009 | 50.881 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | SER | 0 | 0.015 | -0.007 | 52.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | LYS | 1 | 0.994 | 0.981 | 55.575 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 303 | LYS | 1 | 0.968 | 0.999 | 55.468 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 304 | GLN | 0 | 0.070 | 0.029 | 49.115 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 305 | PHE | 0 | -0.013 | -0.004 | 52.566 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 306 | PHE | 0 | -0.039 | -0.043 | 54.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 307 | GLU | -1 | -0.905 | -0.950 | 51.640 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 308 | VAL | 0 | 0.041 | 0.025 | 48.501 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 309 | GLN | 0 | 0.001 | 0.011 | 51.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 310 | LYS | 1 | 0.899 | 0.932 | 50.701 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 311 | SER | 0 | 0.074 | 0.035 | 47.201 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 312 | LEU | 0 | -0.024 | -0.004 | 49.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 313 | LYS | 1 | 0.908 | 0.958 | 50.667 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 314 | GLU | -1 | -0.841 | -0.914 | 48.609 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 315 | LEU | 0 | -0.017 | -0.006 | 44.064 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 316 | PHE | 0 | 0.021 | 0.043 | 46.088 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 317 | HIS | 0 | -0.013 | -0.008 | 50.484 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 318 | ASN | 0 | 0.039 | 0.039 | 49.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 319 | LYS | 1 | 0.951 | 0.966 | 50.244 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 320 | HIS | 0 | 0.057 | 0.036 | 48.543 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 321 | SER | 0 | -0.067 | -0.073 | 46.767 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 322 | VAL | 0 | -0.006 | -0.018 | 40.227 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 323 | PHE | 0 | 0.052 | 0.021 | 42.149 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 324 | TYR | 0 | -0.017 | -0.010 | 43.563 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 325 | ARG | 1 | 0.913 | 0.954 | 41.963 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 326 | ALA | 0 | 0.008 | 0.016 | 39.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 327 | ALA | 0 | 0.033 | 0.009 | 40.170 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 328 | ALA | 0 | 0.026 | 0.009 | 42.549 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 329 | GLU | -1 | -0.953 | -0.985 | 38.276 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 330 | LEU | 0 | -0.037 | -0.030 | 35.618 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 331 | GLY | 0 | 0.004 | 0.013 | 38.961 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 332 | PHE | 0 | -0.035 | -0.006 | 40.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 333 | SER | 0 | -0.003 | 0.007 | 44.400 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 334 | LYS | 1 | 0.931 | 0.959 | 47.855 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 335 | VAL | 0 | 0.003 | 0.006 | 46.631 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 336 | GLU | -1 | -0.966 | -0.985 | 49.256 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 337 | PHE | 0 | -0.026 | -0.015 | 48.445 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 338 | LEU | 0 | 0.028 | 0.027 | 53.083 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 339 | ARG | 1 | 0.920 | 0.936 | 55.564 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 340 | ASP | -1 | -0.743 | -0.861 | 58.669 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 341 | SER | 0 | -0.008 | -0.003 | 61.151 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 342 | LYS | 1 | 0.935 | 0.977 | 64.534 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 343 | THR | 0 | -0.075 | -0.061 | 62.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 344 | LYS | 1 | 0.914 | 0.966 | 63.305 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 345 | SER | 0 | 0.017 | 0.010 | 58.906 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 346 | SER | 0 | 0.055 | 0.030 | 54.246 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 347 | ALA | 0 | -0.055 | -0.021 | 54.531 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 348 | PHE | 0 | -0.016 | -0.008 | 54.686 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 349 | LEU | 0 | -0.055 | -0.024 | 54.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 350 | TYR | 0 | -0.041 | -0.034 | 48.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 351 | ASN | 0 | 0.041 | 0.029 | 54.248 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 352 | PRO | 0 | -0.014 | -0.023 | 51.281 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 353 | GLU | -1 | -0.973 | -0.974 | 51.138 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 354 | GLU | -1 | -0.926 | -0.966 | 52.596 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 355 | PHE | 0 | -0.073 | -0.043 | 47.587 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 356 | THR | 0 | 0.036 | 0.020 | 51.147 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 357 | VAL | 0 | 0.040 | 0.004 | 52.440 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 358 | LYS | 1 | 0.924 | 0.978 | 55.293 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 359 | ASN | 0 | 0.098 | 0.031 | 58.255 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 360 | THR | 0 | -0.070 | -0.038 | 59.293 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 361 | GLU | -1 | -0.855 | -0.924 | 60.558 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 362 | PHE | 0 | 0.032 | 0.012 | 56.398 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 363 | ILE | 0 | 0.018 | 0.002 | 54.897 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 364 | ASN | 0 | -0.046 | -0.018 | 56.218 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 365 | GLN | 0 | -0.017 | -0.014 | 57.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 366 | ILE | 0 | -0.095 | -0.032 | 52.732 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 367 | GLU | -1 | -0.859 | -0.921 | 53.765 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 368 | ASP | -1 | -0.928 | -0.978 | 50.605 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 369 | ASN | 0 | -0.024 | -0.010 | 45.687 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 370 | VAL | 0 | -0.012 | -0.007 | 47.778 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 371 | MET | 0 | -0.041 | -0.008 | 42.369 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 372 | ALA | 0 | 0.022 | 0.010 | 46.218 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 373 | ILE | 0 | -0.004 | -0.006 | 45.065 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 374 | VAL | 0 | -0.008 | 0.004 | 45.570 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 375 | LEU | 0 | 0.006 | 0.008 | 45.294 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 376 | LEU | 0 | 0.003 | 0.020 | 41.843 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 377 | ASP | -1 | -0.785 | -0.876 | 45.417 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 378 | LYS | 1 | 1.010 | 1.001 | 43.592 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 379 | TYR | 0 | 0.001 | -0.007 | 35.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 380 | ILE | 0 | -0.031 | -0.009 | 41.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 381 | GLY | 0 | -0.025 | -0.006 | 40.352 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 382 | ASN | 0 | 0.064 | 0.017 | 40.556 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 383 | ILE | 0 | 0.030 | 0.012 | 39.969 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 384 | ASP | -1 | -0.793 | -0.905 | 41.701 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 385 | PRO | 0 | -0.031 | -0.019 | 43.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 386 | LEU | 0 | 0.020 | 0.019 | 44.343 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 387 | VAL | 0 | -0.046 | -0.039 | 41.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 388 | ARG | 1 | 0.893 | 0.963 | 45.287 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 389 | ASN | 0 | -0.019 | -0.014 | 47.655 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 390 | PHE | 0 | -0.069 | -0.029 | 47.996 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 391 | PRO | 0 | 0.001 | -0.003 | 50.028 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 392 | ASP | -1 | -0.870 | -0.938 | 48.955 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 393 | ASN | 0 | -0.082 | -0.032 | 48.951 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 394 | LEU | 0 | -0.049 | -0.020 | 48.967 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 395 | ILE | 0 | 0.031 | 0.016 | 42.605 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 396 | LEU | 0 | 0.002 | 0.002 | 43.462 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 397 | GLN | 0 | -0.008 | -0.009 | 39.504 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 398 | PRO | 0 | 0.007 | 0.012 | 40.656 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 399 | ILE | 0 | -0.045 | -0.021 | 40.268 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 400 | LEU | 0 | -0.049 | -0.020 | 38.432 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 401 | LYS | 1 | 0.933 | 0.970 | 42.208 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 402 | GLU | -1 | -0.814 | -0.910 | 41.193 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 403 | LYS | 1 | 0.846 | 0.916 | 35.188 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 404 | LEU | 0 | -0.035 | -0.024 | 41.130 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 405 | GLU | -1 | -0.906 | -0.956 | 44.178 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 406 | ASP | -1 | -0.922 | -0.958 | 41.557 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 407 | ILE | 0 | -0.092 | -0.028 | 41.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 408 | LYS | 1 | 1.019 | 1.005 | 35.477 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 409 | PRO | 0 | 0.062 | 0.016 | 37.066 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 410 | PHE | 0 | 0.013 | 0.001 | 31.841 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 411 | ILE | 0 | 0.012 | 0.014 | 34.419 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 412 | ILE | 0 | 0.041 | 0.038 | 36.029 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 413 | LYS | 1 | 0.921 | 0.969 | 34.318 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 414 | SER | 0 | -0.035 | -0.037 | 32.818 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 415 | TYR | 0 | -0.050 | -0.030 | 34.720 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 416 | VAL | 0 | 0.032 | 0.013 | 37.869 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 417 | TYR | 0 | 0.038 | 0.009 | 31.059 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 418 | LYS | 1 | 0.872 | 0.941 | 35.323 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 419 | MET | 0 | -0.021 | -0.011 | 36.252 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 420 | GLY | 0 | 0.028 | 0.015 | 38.640 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 421 | ASN | 0 | -0.034 | -0.033 | 32.364 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 422 | PHE | 0 | -0.052 | -0.039 | 36.019 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 423 | ILE | 0 | -0.026 | 0.000 | 39.213 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 424 | PRO | 0 | 0.053 | 0.030 | 40.149 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 425 | GLU | -1 | -0.845 | -0.918 | 40.806 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 426 | CYS | 0 | -0.125 | -0.046 | 38.993 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 427 | LYS | 1 | 0.844 | 0.905 | 33.207 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 428 | PRO | 0 | -0.005 | -0.007 | 32.476 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 429 | PHE | 0 | -0.024 | -0.035 | 27.533 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 430 | ILE | 0 | 0.066 | 0.054 | 30.397 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 431 | LEU | 0 | -0.031 | -0.020 | 23.677 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 432 | LYS | 1 | 0.976 | 0.982 | 25.411 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 433 | LYS | 1 | 0.888 | 0.951 | 18.920 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 434 | MET | 0 | 0.007 | 0.005 | 25.123 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 435 | GLU | -1 | -0.919 | -0.942 | 27.308 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 436 | ASP | -1 | -0.833 | -0.898 | 28.480 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 437 | LYS | 1 | 0.756 | 0.855 | 25.340 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 438 | GLU | -1 | -0.895 | -0.943 | 30.113 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 439 | LYS | 1 | 0.952 | 1.021 | 30.899 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 440 | ASN | 0 | 0.013 | 0.001 | 28.622 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 441 | LEU | 0 | 0.043 | 0.037 | 31.761 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 442 | TYR | 0 | -0.048 | -0.040 | 26.388 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 443 | ILE | 0 | 0.042 | 0.011 | 29.680 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 444 | GLY | 0 | -0.055 | -0.019 | 28.551 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 445 | ILE | 0 | -0.005 | -0.017 | 28.902 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 446 | ASP | -1 | -0.840 | -0.910 | 29.172 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 447 | LEU | 0 | 0.018 | -0.003 | 30.988 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 448 | SER | 0 | -0.033 | -0.006 | 31.812 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 449 | HIS | 0 | 0.060 | 0.052 | 33.475 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 450 | ASP | -1 | -0.920 | -0.974 | 35.234 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 451 | THR | 0 | -0.037 | -0.003 | 35.909 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 452 | TYR | 0 | -0.052 | -0.024 | 38.140 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 453 | ALA | 0 | 0.024 | 0.021 | 41.353 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 454 | ARG | 1 | 0.948 | 0.958 | 40.501 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 455 | LYS | 1 | 0.839 | 0.915 | 41.205 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 456 | THR | 0 | 0.021 | -0.018 | 37.693 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 457 | ASN | 0 | -0.058 | -0.021 | 36.258 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 458 | LEU | 0 | 0.049 | 0.030 | 35.238 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 459 | CYS | 0 | -0.080 | -0.036 | 34.218 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 460 | ILE | 0 | 0.002 | 0.016 | 33.469 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 461 | ALA | 0 | 0.011 | -0.003 | 31.818 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 462 | ALA | 0 | 0.038 | 0.032 | 32.152 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 463 | VAL | 0 | -0.044 | -0.020 | 29.603 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 464 | ASP | -1 | -0.630 | -0.779 | 32.297 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 465 | ASN | 0 | -0.026 | -0.032 | 29.736 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 466 | THR | 0 | -0.078 | -0.066 | 29.771 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 467 | GLY | 0 | -0.024 | -0.006 | 30.656 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 468 | ASP | -1 | -0.864 | -0.920 | 31.336 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 469 | ILE | 0 | -0.073 | -0.051 | 33.532 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 470 | LEU | 0 | 0.003 | 0.006 | 35.507 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 471 | TYR | 0 | -0.095 | -0.118 | 36.814 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 472 | ILE | 0 | -0.037 | -0.015 | 35.635 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 473 | GLY | 0 | 0.026 | 0.034 | 37.402 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 474 | LYS | 1 | 0.841 | 0.928 | 37.658 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 475 | HIS | 1 | 0.836 | 0.895 | 39.493 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 476 | LYS | 1 | 0.886 | 0.929 | 40.133 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 477 | ASN | 0 | -0.049 | -0.024 | 41.558 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 478 | LEU | 0 | 0.064 | 0.042 | 40.563 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 479 | GLU | -1 | -0.797 | -0.891 | 42.811 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 480 | LEU | 0 | -0.047 | -0.024 | 38.747 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 481 | ASN | 0 | 0.017 | -0.003 | 42.132 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 482 | GLU | -1 | -0.824 | -0.907 | 37.327 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 483 | LYS | 1 | 0.927 | 0.967 | 40.624 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 484 | MET | 0 | -0.006 | -0.012 | 43.247 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 485 | ASN | 0 | -0.044 | -0.045 | 38.997 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 486 | LEU | 0 | 0.035 | 0.008 | 36.469 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 487 | ASP | -1 | -0.836 | -0.897 | 39.821 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 488 | ILE | 0 | -0.034 | -0.030 | 41.023 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 489 | LEU | 0 | -0.026 | -0.007 | 34.486 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 490 | GLU | -1 | -0.868 | -0.929 | 38.666 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 491 | LYS | 1 | 0.890 | 0.950 | 40.237 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 492 | GLU | -1 | -0.764 | -0.814 | 38.975 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 493 | TYR | 0 | -0.063 | -0.044 | 34.896 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 494 | ILE | 0 | 0.064 | 0.024 | 38.223 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 495 | LYS | 1 | 0.883 | 0.953 | 41.344 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 496 | ALA | 0 | -0.026 | -0.022 | 36.813 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 497 | PHE | 0 | 0.006 | -0.004 | 37.111 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 498 | GLU | -1 | -0.841 | -0.921 | 39.377 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 499 | LYS | 1 | 0.883 | 0.953 | 39.976 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 500 | TYR | 0 | -0.014 | -0.032 | 35.047 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 501 | ILE | 0 | 0.035 | 0.030 | 39.543 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 502 | GLU | -1 | -0.994 | -0.983 | 42.530 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 503 | LYS | 1 | 0.783 | 0.901 | 37.618 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 504 | PHE | 0 | -0.034 | -0.045 | 36.934 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 505 | ASN | 0 | -0.059 | -0.024 | 41.845 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 506 | VAL | 0 | -0.014 | -0.007 | 40.529 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 507 | SER | 0 | 0.059 | 0.014 | 39.732 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 508 | PRO | 0 | -0.061 | -0.006 | 34.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 509 | GLU | -1 | -0.905 | -0.959 | 34.117 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 510 | ASN | 0 | -0.056 | -0.048 | 30.180 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 511 | VAL | 0 | 0.029 | 0.017 | 31.657 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 512 | PHE | 0 | -0.032 | -0.026 | 24.294 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 513 | ILE | 0 | 0.027 | 0.025 | 28.107 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 514 | LEU | 0 | -0.032 | -0.029 | 23.818 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 515 | ARG | 1 | 0.847 | 0.918 | 25.406 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 516 | ASP | -1 | -0.873 | -0.939 | 24.640 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 517 | GLY | 0 | -0.050 | -0.026 | 23.707 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 518 | ARG | 1 | 0.912 | 0.942 | 24.311 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 519 | PHE | 0 | 0.033 | -0.011 | 25.721 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 520 | ILE | 0 | -0.151 | -0.074 | 28.568 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 521 | GLU | -1 | -0.727 | -0.854 | 31.330 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 522 | ASP | -1 | -0.909 | -0.958 | 33.611 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 523 | ILE | 0 | 0.015 | 0.003 | 29.976 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 524 | GLU | -1 | -0.868 | -0.934 | 33.450 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 525 | ILE | 0 | -0.033 | -0.010 | 35.918 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 526 | ILE | 0 | -0.032 | -0.035 | 32.886 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 527 | LYS | 1 | 0.909 | 0.941 | 32.379 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 528 | ASN | 0 | -0.030 | -0.005 | 34.691 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 529 | PHE | 0 | 0.036 | 0.025 | 37.017 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 530 | ILE | 0 | -0.024 | -0.006 | 32.577 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 531 | SER | 0 | -0.013 | 0.018 | 36.361 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 532 | TYR | 0 | -0.014 | -0.057 | 38.087 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 533 | ASN | 0 | -0.046 | -0.015 | 40.979 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 534 | ASP | -1 | -0.981 | -0.956 | 39.853 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 535 | THR | 0 | 0.007 | 0.012 | 35.857 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 536 | LYS | 1 | 0.955 | 0.995 | 32.225 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 537 | TYR | 0 | 0.043 | 0.030 | 30.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 538 | THR | 0 | -0.038 | -0.023 | 25.141 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 539 | LEU | 0 | -0.016 | 0.007 | 26.668 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 540 | VAL | 0 | 0.023 | 0.001 | 21.217 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 541 | GLU | -1 | -0.827 | -0.909 | 22.017 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 542 | VAL | 0 | 0.008 | 0.003 | 19.613 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 543 | ASN | 0 | 0.015 | 0.010 | 18.257 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 544 | LYS | 1 | 0.890 | 0.946 | 17.783 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 545 | ASN | 0 | -0.111 | -0.059 | 18.411 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 546 | THR | 0 | -0.054 | -0.046 | 13.235 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 547 | ASN | 0 | -0.081 | -0.065 | 14.917 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 548 | ILE | 0 | 0.040 | 0.038 | 8.946 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 549 | ASN | 0 | -0.032 | -0.026 | 8.762 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 550 | SER | 0 | 0.017 | 0.013 | 4.119 | 0.108 | 0.134 | -0.001 | -0.005 | -0.021 | 0.000 |
551 | A | 551 | TYR | 0 | -0.012 | -0.002 | 5.844 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 552 | ASP | -1 | -0.881 | -0.939 | 2.808 | -3.174 | -0.870 | 0.479 | -1.500 | -1.282 | -0.015 |
553 | A | 553 | ASP | -1 | -0.909 | -0.964 | 5.862 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 554 | LEU | 0 | -0.051 | -0.034 | 2.994 | -0.206 | 0.144 | 0.062 | -0.088 | -0.325 | 0.000 |
555 | A | 555 | LYS | 1 | 0.903 | 0.945 | 6.916 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 556 | GLU | -1 | -0.985 | -1.008 | 10.695 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 557 | TRP | 0 | -0.034 | -0.005 | 7.398 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 558 | ILE | 0 | 0.000 | -0.015 | 9.529 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 559 | ILE | 0 | -0.021 | -0.020 | 4.536 | -0.062 | 0.005 | -0.001 | -0.004 | -0.062 | 0.000 |
560 | A | 560 | LYS | 1 | 0.915 | 0.975 | 7.945 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 561 | LEU | 0 | -0.066 | -0.031 | 8.834 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 562 | ASP | -1 | -0.809 | -0.921 | 10.848 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 563 | GLU | -1 | -0.875 | -0.928 | 13.944 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 564 | ASN | 0 | -0.018 | -0.018 | 16.674 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 565 | THR | 0 | -0.043 | -0.024 | 14.672 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 566 | TYR | 0 | 0.063 | 0.014 | 12.004 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 567 | ILE | 0 | -0.026 | -0.010 | 9.967 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 568 | TYR | 0 | -0.001 | -0.012 | 10.519 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 569 | TYR | 0 | 0.001 | -0.017 | 8.082 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 570 | PRO | 0 | 0.001 | 0.023 | 11.815 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 571 | LYS | 1 | 0.925 | 0.956 | 14.655 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 572 | THR | 0 | -0.053 | -0.036 | 15.970 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 573 | PHE | 0 | 0.021 | 0.014 | 16.677 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 574 | LEU | 0 | -0.028 | -0.012 | 18.558 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 575 | ASN | 0 | 0.023 | 0.003 | 15.797 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 576 | GLN | 0 | 0.034 | 0.030 | 7.775 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 577 | LYS | 1 | 0.921 | 0.963 | 12.879 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 578 | GLY | 0 | 0.076 | 0.036 | 12.312 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 579 | VAL | 0 | -0.066 | -0.032 | 12.993 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 580 | GLU | -1 | -0.875 | -0.909 | 14.162 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 581 | VAL | 0 | 0.001 | -0.002 | 15.554 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 582 | LYS | 1 | 0.954 | 0.992 | 16.639 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 583 | ILE | 0 | -0.002 | 0.004 | 19.143 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 584 | LEU | 0 | -0.067 | -0.038 | 21.524 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 585 | GLU | -1 | -0.861 | -0.926 | 24.389 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 586 | ASN | 0 | -0.008 | -0.009 | 24.323 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 587 | ASN | 0 | -0.022 | 0.010 | 26.962 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 588 | THR | 0 | -0.012 | -0.017 | 26.971 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 589 | ASP | -1 | -0.880 | -0.941 | 28.549 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 590 | TYR | 0 | -0.061 | -0.019 | 24.227 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 591 | THR | 0 | 0.063 | 0.019 | 20.412 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 592 | ILE | 0 | 0.031 | 0.006 | 17.471 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 593 | GLU | -1 | -0.894 | -0.956 | 15.722 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 594 | GLU | -1 | -0.843 | -0.914 | 17.696 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 595 | ILE | 0 | -0.022 | -0.010 | 20.697 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 596 | ILE | 0 | -0.044 | -0.029 | 14.710 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 597 | GLU | -1 | -0.927 | -0.970 | 17.585 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 598 | GLN | 0 | 0.046 | 0.029 | 18.432 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 599 | ILE | 0 | 0.006 | 0.010 | 19.550 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 600 | TYR | 0 | 0.020 | 0.003 | 15.035 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 601 | LEU | 0 | -0.013 | -0.001 | 18.707 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 602 | LEU | 0 | 0.036 | 0.034 | 21.515 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 603 | THR | 0 | -0.137 | -0.063 | 19.030 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 604 | ARG | 1 | 0.850 | 0.905 | 17.852 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 605 | VAL | 0 | 0.022 | 0.016 | 23.579 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 606 | ALA | 0 | 0.056 | 0.033 | 26.652 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 607 | HIS | 0 | -0.032 | 0.015 | 23.938 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 608 | SER | 0 | -0.010 | 0.015 | 28.177 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 609 | THR | 0 | 0.013 | -0.012 | 28.871 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 610 | PRO | 0 | 0.032 | 0.023 | 28.082 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 611 | TYR | 0 | -0.049 | -0.026 | 26.479 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 612 | THR | 0 | -0.057 | -0.016 | 23.746 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 613 | ASN | 0 | -0.006 | 0.011 | 19.101 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 614 | TYR | 0 | 0.025 | 0.017 | 22.251 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 615 | LYS | 1 | 0.956 | 0.974 | 18.619 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 616 | LEU | 0 | 0.052 | 0.049 | 19.041 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 617 | PRO | 0 | 0.073 | 0.039 | 20.798 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 618 | TYR | 0 | 0.050 | 0.018 | 23.270 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 619 | PRO | 0 | 0.084 | 0.040 | 26.383 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 620 | LEU | 0 | 0.050 | 0.018 | 23.433 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 621 | HIS | 0 | -0.101 | -0.032 | 25.506 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 622 | ILE | 0 | 0.003 | -0.006 | 27.053 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 623 | ALA | 0 | 0.025 | 0.022 | 29.814 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 624 | ASN | 0 | -0.065 | -0.072 | 26.199 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 625 | LYS | 1 | 0.850 | 0.932 | 29.126 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 626 | VAL | 0 | 0.017 | 0.000 | 31.774 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 627 | ALA | 0 | 0.004 | -0.001 | 33.040 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 628 | LEU | 0 | -0.080 | -0.022 | 30.718 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 629 | THR | 0 | 0.016 | 0.001 | 34.470 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 630 | ASP | -1 | -0.861 | -0.930 | 37.858 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 631 | TYR | 0 | 0.012 | -0.006 | 41.200 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 632 | GLU | -1 | -0.822 | -0.879 | 35.890 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 633 | TRP | 0 | 0.001 | 0.007 | 35.456 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 634 | LYS | 1 | 0.995 | 0.994 | 36.561 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 635 | LEU | 0 | -0.011 | 0.004 | 37.606 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 636 | TYR | 0 | -0.177 | -0.130 | 32.855 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 637 | ILE | 0 | -0.032 | -0.006 | 31.699 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 638 | PRO | 0 | 0.010 | 0.023 | 34.502 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 639 | TYR | 0 | 0.053 | 0.024 | 37.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |