![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: YV322
Calculation Name: 3LN7-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3LN7
Chain ID: A
UniProt ID: Q9CM00
Base Structure: X-ray
Registration Date: 2023-09-24
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 755 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -18418921.363891 |
---|---|
FMO2-HF: Nuclear repulsion | 18120412.707106 |
FMO2-HF: Total energy | -298508.656786 |
FMO2-MP2: Total energy | -299386.156001 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F038585/ligand_interaction/ligand_F038585.png)
Ligand Interaction
![ligand interaction](./Kdata/F038585/ligand_interaction/ligand_interaction_F038585.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:2:LYS)
Summations of interaction energy for
fragment #1(A:2:LYS)
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. |
-353.137 | -350.266 | 33.006 | -16.783 | -19.092 | -0.178 |
Interaction energy analysis for fragmet #1(A:2:LYS)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 4 | GLN | 0 | 0.038 | 0.009 | 3.809 | -2.848 | -1.123 | -0.014 | -0.693 | -1.017 | 0.001 |
4 | A | 5 | HIS | 1 | 0.820 | 0.912 | 5.600 | 27.519 | 27.519 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 6 | ILE | 0 | 0.038 | 0.020 | 4.904 | 2.623 | 2.623 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 7 | ILE | 0 | 0.001 | 0.012 | 5.225 | 2.729 | 2.729 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 8 | HIS | 0 | -0.024 | -0.015 | 7.988 | 2.045 | 2.045 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 9 | GLU | -1 | -0.894 | -0.946 | 8.820 | -29.562 | -29.562 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 10 | ASN | 0 | -0.067 | -0.035 | 11.294 | 2.251 | 2.251 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 11 | GLN | 0 | 0.029 | 0.012 | 13.407 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 12 | LEU | 0 | -0.040 | -0.022 | 10.552 | 1.096 | 1.096 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 13 | GLY | 0 | 0.063 | 0.038 | 14.313 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 14 | LEU | 0 | 0.042 | 0.024 | 15.976 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 15 | LEU | 0 | -0.039 | -0.042 | 15.236 | 0.606 | 0.606 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 16 | PHE | 0 | -0.010 | -0.001 | 10.425 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 17 | GLN | 0 | 0.062 | 0.030 | 15.039 | -0.310 | -0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 18 | GLN | 0 | -0.077 | -0.024 | 17.423 | 1.461 | 1.461 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 19 | GLY | 0 | 0.043 | -0.001 | 16.967 | -1.000 | -1.000 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 20 | SER | 0 | -0.078 | -0.032 | 18.693 | 0.687 | 0.687 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 21 | PHE | 0 | 0.015 | 0.013 | 20.148 | -0.408 | -0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 22 | GLY | 0 | 0.032 | 0.001 | 22.629 | 0.402 | 0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 23 | LEU | 0 | -0.010 | -0.005 | 24.187 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 24 | GLU | -1 | -0.706 | -0.791 | 26.111 | -10.253 | -10.253 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 25 | LYS | 1 | 0.894 | 0.936 | 28.754 | 7.722 | 7.722 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 26 | GLU | -1 | -0.738 | -0.828 | 30.868 | -8.612 | -8.612 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 27 | SER | 0 | -0.014 | -0.026 | 33.887 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 28 | GLN | 0 | 0.011 | 0.001 | 37.220 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 29 | ARG | 1 | 0.770 | 0.870 | 40.522 | 6.389 | 6.389 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 30 | VAL | 0 | -0.024 | -0.012 | 43.786 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 31 | THR | 0 | 0.012 | 0.002 | 46.080 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 32 | ALA | 0 | 0.016 | 0.001 | 49.078 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 33 | ASP | -1 | -0.873 | -0.936 | 51.129 | -5.645 | -5.645 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 34 | GLY | 0 | 0.017 | 0.009 | 47.354 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 35 | ALA | 0 | -0.038 | -0.012 | 46.668 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 36 | ILE | 0 | -0.005 | -0.004 | 43.100 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 37 | VAL | 0 | -0.028 | 0.003 | 46.420 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 38 | THR | 0 | -0.076 | -0.045 | 47.202 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 39 | THR | 0 | -0.006 | 0.000 | 48.800 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 40 | PRO | 0 | 0.000 | -0.017 | 47.915 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 41 | HIS | 0 | 0.029 | 0.023 | 41.467 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 42 | PRO | 0 | -0.001 | 0.000 | 45.217 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 43 | ALA | 0 | -0.010 | -0.013 | 47.003 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 44 | VAL | 0 | -0.018 | 0.003 | 47.310 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 45 | PHE | 0 | -0.029 | -0.005 | 43.148 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 46 | GLY | 0 | 0.008 | 0.011 | 43.211 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 47 | ASN | 0 | -0.046 | -0.045 | 43.068 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 48 | ARG | 1 | 0.924 | 0.942 | 39.663 | 6.616 | 6.616 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 49 | ARG | 1 | 0.863 | 0.939 | 38.330 | 7.101 | 7.101 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 50 | TYR | 0 | -0.014 | -0.009 | 37.894 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 51 | HIS | 0 | 0.001 | 0.023 | 37.698 | -0.280 | -0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 52 | PRO | 0 | -0.032 | -0.004 | 33.784 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 53 | TYR | 0 | -0.009 | -0.004 | 33.314 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 54 | ILE | 0 | 0.007 | -0.003 | 35.433 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 55 | GLN | 0 | -0.043 | -0.016 | 35.124 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 56 | THR | 0 | -0.013 | -0.014 | 37.770 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 57 | ASP | -1 | -0.762 | -0.838 | 33.405 | -7.882 | -7.882 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 58 | PHE | 0 | -0.004 | -0.009 | 32.217 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 59 | ALA | 0 | -0.052 | -0.034 | 37.515 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 60 | GLU | -1 | -0.744 | -0.845 | 40.605 | -6.332 | -6.332 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 61 | SER | 0 | 0.048 | 0.026 | 43.092 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 62 | GLN | 0 | -0.056 | -0.028 | 35.731 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 63 | LEU | 0 | 0.010 | 0.006 | 38.247 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 64 | GLU | -1 | -0.933 | -0.980 | 31.994 | -8.669 | -8.669 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 65 | LEU | 0 | -0.039 | -0.008 | 34.127 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 66 | ILE | 0 | -0.007 | -0.002 | 29.268 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 67 | THR | 0 | -0.021 | -0.010 | 28.079 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 68 | PRO | 0 | 0.010 | 0.013 | 29.239 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 69 | PRO | 0 | -0.011 | -0.001 | 24.925 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 70 | THR | 0 | 0.033 | 0.016 | 25.599 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 71 | LYS | 1 | 0.905 | 0.947 | 20.248 | 13.420 | 13.420 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 72 | LYS | 1 | 0.884 | 0.917 | 22.424 | 12.188 | 12.188 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 73 | LEU | 0 | 0.040 | 0.040 | 22.735 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 74 | GLU | -1 | -0.811 | -0.904 | 25.727 | -9.777 | -9.777 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 75 | ASP | -1 | -0.815 | -0.916 | 28.982 | -9.251 | -9.251 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 76 | THR | 0 | -0.099 | -0.050 | 25.879 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 77 | PHE | 0 | 0.023 | 0.003 | 27.607 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 78 | ARG | 1 | 0.759 | 0.868 | 31.630 | 8.727 | 8.727 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 79 | TRP | 0 | 0.030 | -0.003 | 31.996 | 0.319 | 0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 80 | LEU | 0 | -0.008 | 0.000 | 31.172 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 81 | SER | 0 | 0.006 | -0.008 | 33.809 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 82 | VAL | 0 | 0.010 | 0.008 | 36.931 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 83 | ILE | 0 | -0.006 | -0.002 | 34.177 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 84 | HIS | 0 | 0.009 | 0.010 | 37.474 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 85 | GLU | -1 | -0.793 | -0.865 | 39.222 | -6.912 | -6.912 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 86 | VAL | 0 | -0.008 | -0.002 | 41.119 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 87 | VAL | 0 | 0.000 | 0.006 | 39.452 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 88 | GLN | 0 | 0.034 | 0.009 | 42.586 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 89 | ARG | 1 | 0.780 | 0.879 | 44.797 | 6.545 | 6.545 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 90 | SER | 0 | -0.058 | -0.034 | 45.372 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 91 | LEU | 0 | -0.074 | -0.017 | 44.108 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 92 | PRO | 0 | 0.002 | 0.004 | 47.820 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 93 | GLU | -1 | -0.842 | -0.923 | 50.827 | -5.750 | -5.750 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 94 | GLU | -1 | -0.949 | -0.977 | 52.745 | -5.431 | -5.431 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 95 | GLU | -1 | -0.828 | -0.910 | 47.796 | -6.131 | -6.131 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 96 | TYR | 0 | 0.002 | 0.002 | 46.462 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 97 | ILE | 0 | -0.034 | -0.010 | 39.872 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 98 | PHE | 0 | 0.024 | 0.002 | 39.644 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 99 | PRO | 0 | -0.031 | -0.013 | 38.619 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 100 | LEU | 0 | 0.004 | 0.018 | 37.219 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 101 | SER | 0 | -0.048 | -0.035 | 33.542 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 102 | MET | 0 | 0.006 | 0.014 | 35.571 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 103 | PRO | 0 | -0.008 | -0.010 | 38.392 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 104 | ALA | 0 | 0.022 | 0.013 | 41.159 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 105 | GLY | 0 | 0.058 | 0.031 | 44.233 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 106 | LEU | 0 | -0.049 | -0.018 | 42.010 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 107 | PRO | 0 | 0.013 | 0.000 | 46.284 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 108 | ALA | 0 | 0.025 | -0.011 | 47.155 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 109 | GLU | -1 | -0.765 | -0.854 | 42.679 | -6.600 | -6.600 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 110 | GLU | -1 | -0.821 | -0.906 | 44.186 | -6.403 | -6.403 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 111 | GLN | 0 | -0.050 | -0.025 | 45.877 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 112 | ILE | 0 | -0.064 | 0.000 | 44.455 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 113 | ARG | 1 | 0.838 | 0.905 | 44.072 | 6.156 | 6.156 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 114 | VAL | 0 | 0.032 | 0.022 | 43.707 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 115 | ALA | 0 | 0.053 | 0.009 | 39.925 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 116 | GLN | 0 | -0.107 | -0.067 | 41.611 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 117 | LEU | 0 | 0.054 | 0.039 | 38.250 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 118 | ASP | -1 | -0.849 | -0.912 | 41.932 | -6.759 | -6.759 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 119 | ASN | 0 | -0.115 | -0.085 | 37.993 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 120 | PRO | 0 | 0.007 | -0.001 | 41.655 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 121 | GLU | -1 | -0.853 | -0.929 | 37.394 | -7.237 | -7.237 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 122 | ASP | -1 | -0.797 | -0.883 | 35.529 | -7.992 | -7.992 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 123 | VAL | 0 | -0.029 | -0.005 | 38.005 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 124 | ALA | 0 | 0.001 | -0.001 | 40.496 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 125 | TYR | 0 | -0.068 | -0.060 | 32.137 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 126 | ARG | 1 | 0.862 | 0.911 | 37.187 | 6.731 | 6.731 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 127 | GLU | -1 | -0.846 | -0.893 | 38.439 | -6.418 | -6.418 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 128 | TYR | 0 | -0.032 | -0.032 | 37.377 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 129 | LEU | 0 | 0.033 | 0.021 | 33.157 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 130 | VAL | 0 | -0.041 | -0.025 | 36.555 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 131 | LYS | 1 | 0.723 | 0.837 | 39.656 | 6.511 | 6.511 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 132 | ILE | 0 | -0.060 | -0.012 | 34.222 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 133 | TYR | 0 | -0.026 | -0.016 | 33.072 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 134 | GLY | 0 | 0.018 | 0.037 | 37.306 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 135 | LYS | 1 | 0.802 | 0.867 | 38.748 | 6.962 | 6.962 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 136 | ASN | 0 | 0.004 | -0.046 | 39.460 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 137 | LYS | 1 | 0.804 | 0.885 | 35.409 | 7.308 | 7.308 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 138 | GLN | 0 | 0.025 | 0.023 | 35.130 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 139 | MET | 0 | -0.086 | -0.022 | 36.161 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 140 | VAL | 0 | -0.002 | 0.005 | 33.059 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 141 | SER | 0 | 0.022 | 0.027 | 33.824 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 142 | GLY | 0 | -0.003 | -0.013 | 30.354 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 143 | ILE | 0 | -0.029 | -0.013 | 26.492 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 144 | HIS | 1 | 0.769 | 0.849 | 24.454 | 9.468 | 9.468 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 145 | TYR | 0 | -0.025 | -0.023 | 19.577 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 146 | ASN | 0 | -0.043 | -0.039 | 20.529 | -0.649 | -0.649 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 147 | PHE | 0 | 0.012 | -0.001 | 13.876 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 148 | GLN | 0 | -0.008 | -0.009 | 16.269 | -0.472 | -0.472 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 149 | LEU | 0 | 0.041 | 0.025 | 10.464 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 150 | SER | 0 | -0.011 | -0.033 | 14.695 | 0.763 | 0.763 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 151 | PRO | 0 | 0.091 | 0.039 | 14.709 | -1.251 | -1.251 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 152 | ASP | -1 | -0.830 | -0.881 | 14.785 | -16.730 | -16.730 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 153 | LEU | 0 | -0.037 | -0.002 | 11.100 | -0.623 | -0.623 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 154 | ILE | 0 | 0.036 | 0.023 | 9.981 | -2.099 | -2.099 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 155 | THR | 0 | -0.017 | -0.020 | 10.074 | -2.421 | -2.421 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 156 | ARG | 1 | 0.862 | 0.917 | 11.944 | 17.208 | 17.208 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 157 | LEU | 0 | 0.038 | 0.028 | 6.977 | -1.135 | -1.135 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 158 | PHE | 0 | 0.021 | 0.017 | 7.359 | -3.949 | -3.949 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 159 | ARG | 1 | 0.791 | 0.885 | 7.839 | 23.771 | 23.771 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 160 | LEU | 0 | -0.054 | -0.012 | 6.619 | 1.822 | 1.822 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 161 | GLN | 0 | -0.036 | -0.022 | 2.469 | -15.986 | -13.508 | 3.225 | -1.981 | -3.722 | -0.022 |
161 | A | 162 | ASN | 0 | 0.008 | -0.011 | 4.337 | 1.949 | 2.064 | -0.001 | 0.000 | -0.114 | 0.000 |
162 | A | 163 | GLU | -1 | -0.834 | -0.906 | 1.759 | -136.560 | -140.918 | 24.457 | -11.162 | -8.937 | -0.138 |
163 | A | 164 | TYR | 0 | -0.002 | -0.027 | 2.316 | -2.264 | -1.527 | 5.248 | -2.081 | -3.904 | -0.016 |
164 | A | 165 | GLN | 0 | -0.029 | 0.002 | 7.232 | 4.632 | 4.632 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 166 | SER | 0 | -0.004 | -0.010 | 10.257 | 2.225 | 2.225 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 167 | ALA | 0 | 0.029 | 0.008 | 10.061 | -1.685 | -1.685 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 168 | VAL | 0 | 0.007 | -0.004 | 10.636 | -0.812 | -0.812 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 169 | ASP | -1 | -0.906 | -0.948 | 8.852 | -26.781 | -26.781 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 170 | PHE | 0 | 0.022 | 0.003 | 3.292 | -0.328 | 0.014 | 0.010 | -0.052 | -0.300 | 0.000 |
170 | A | 171 | GLN | 0 | -0.017 | -0.012 | 6.898 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 172 | ASN | 0 | 0.021 | 0.002 | 9.161 | 1.332 | 1.332 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 173 | ASP | -1 | -0.812 | -0.883 | 3.199 | -39.681 | -38.495 | 0.067 | -0.566 | -0.686 | -0.004 |
173 | A | 174 | LEU | 0 | -0.008 | 0.011 | 4.975 | 0.556 | 0.556 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 175 | TYR | 0 | -0.012 | -0.033 | 5.881 | 1.610 | 1.610 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 176 | LEU | 0 | -0.009 | 0.000 | 8.088 | 1.535 | 1.535 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 177 | LYS | 1 | 0.778 | 0.904 | 3.550 | 32.877 | 33.490 | 0.015 | -0.243 | -0.385 | 0.001 |
177 | A | 178 | MET | 0 | -0.011 | 0.013 | 6.686 | 1.520 | 1.520 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 179 | ALA | 0 | -0.009 | -0.014 | 9.419 | 1.299 | 1.299 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 180 | LYS | 1 | 0.823 | 0.906 | 7.757 | 22.622 | 22.622 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 181 | ASN | 0 | -0.002 | -0.023 | 7.787 | 1.575 | 1.575 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 182 | PHE | 0 | 0.021 | -0.006 | 11.414 | 0.930 | 0.930 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 183 | LEU | 0 | -0.017 | -0.016 | 14.346 | 0.826 | 0.826 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 184 | ARG | 1 | 0.747 | 0.850 | 14.204 | 14.682 | 14.682 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 185 | TYR | 0 | 0.025 | -0.003 | 13.592 | 0.775 | 0.775 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 186 | GLN | 0 | 0.023 | 0.015 | 17.536 | 0.650 | 0.650 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 187 | TRP | 0 | 0.021 | 0.001 | 19.541 | 0.600 | 0.600 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 188 | ILE | 0 | -0.017 | 0.009 | 19.162 | 0.460 | 0.460 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 189 | LEU | 0 | -0.023 | -0.017 | 19.098 | 0.388 | 0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 190 | LEU | 0 | 0.027 | 0.018 | 22.935 | 0.370 | 0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 191 | TYR | 0 | -0.031 | -0.039 | 25.555 | 0.417 | 0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 192 | LEU | 0 | -0.062 | -0.029 | 24.322 | 0.349 | 0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 193 | LEU | 0 | -0.021 | -0.033 | 25.127 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 194 | ALA | 0 | -0.038 | 0.011 | 28.582 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 195 | ALA | 0 | -0.008 | -0.033 | 30.206 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 196 | THR | 0 | -0.046 | -0.036 | 32.050 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 197 | PRO | 0 | 0.032 | 0.026 | 34.657 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 198 | THR | 0 | -0.030 | -0.053 | 36.602 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 199 | VAL | 0 | 0.045 | 0.020 | 38.213 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 200 | GLU | -1 | -0.831 | -0.910 | 40.016 | -6.851 | -6.851 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 201 | SER | 0 | -0.014 | -0.017 | 43.295 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 202 | ALA | 0 | -0.002 | 0.022 | 41.969 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 203 | TYR | 0 | -0.079 | -0.030 | 43.733 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 204 | PHE | 0 | -0.045 | -0.016 | 44.627 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 205 | LYN | 0 | 0.036 | 0.037 | 35.489 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 206 | ASP | -1 | -0.832 | -0.944 | 39.132 | -7.228 | -7.228 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 207 | GLY | 0 | 0.056 | 0.033 | 41.410 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 208 | SER | 0 | -0.055 | -0.017 | 41.562 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 209 | PRO | 0 | -0.005 | 0.002 | 38.988 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 210 | LEU | 0 | -0.022 | -0.006 | 41.538 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 211 | ALA | 0 | 0.041 | 0.009 | 44.285 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 212 | LYS | 1 | 0.834 | 0.910 | 45.236 | 6.264 | 6.264 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 213 | GLY | 0 | 0.073 | 0.040 | 44.837 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 214 | GLN | 0 | -0.081 | -0.024 | 42.132 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 215 | PHE | 0 | 0.050 | 0.025 | 38.982 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 216 | VAL | 0 | -0.006 | 0.013 | 34.699 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 217 | ARG | 1 | 0.789 | 0.887 | 29.890 | 8.726 | 8.726 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 218 | SER | 0 | -0.078 | -0.062 | 29.732 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 219 | LEU | 0 | 0.062 | 0.021 | 31.277 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 220 | ARG | 1 | 0.821 | 0.895 | 27.323 | 9.283 | 9.283 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 221 | SER | 0 | -0.005 | -0.003 | 26.932 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 222 | SER | 0 | -0.001 | 0.001 | 28.307 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 223 | GLN | 0 | -0.025 | -0.019 | 31.044 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 224 | TYR | 0 | 0.010 | 0.012 | 32.409 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 225 | GLY | 0 | 0.005 | 0.013 | 32.013 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 226 | TYR | 0 | -0.022 | -0.020 | 30.060 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 227 | VAL | 0 | 0.010 | 0.007 | 27.137 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 228 | ASN | 0 | -0.026 | -0.018 | 29.644 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 229 | ASP | -1 | -0.845 | -0.923 | 29.562 | -8.894 | -8.894 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 230 | PRO | 0 | -0.015 | -0.007 | 28.269 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 231 | GLU | -1 | -0.923 | -0.962 | 27.337 | -8.981 | -8.981 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 232 | ILE | 0 | -0.081 | -0.031 | 23.999 | -0.452 | -0.452 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 233 | ASN | 0 | -0.014 | -0.006 | 20.544 | -0.602 | -0.602 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 234 | VAL | 0 | -0.026 | -0.019 | 18.085 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 235 | SER | 0 | 0.019 | 0.013 | 14.969 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 236 | PHE | 0 | -0.014 | -0.024 | 12.291 | -0.352 | -0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 237 | ASP | -1 | -0.785 | -0.895 | 10.133 | -19.589 | -19.589 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 238 | SER | 0 | -0.056 | -0.033 | 9.286 | -1.350 | -1.350 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 239 | VAL | 0 | 0.026 | 0.034 | 10.853 | 1.327 | 1.327 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 240 | GLU | -1 | -0.759 | -0.882 | 12.305 | -18.205 | -18.205 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 241 | LYS | 1 | 0.880 | 0.930 | 11.937 | 19.482 | 19.482 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 242 | TYR | 0 | 0.008 | 0.034 | 14.763 | 0.902 | 0.902 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 243 | VAL | 0 | -0.006 | -0.002 | 16.554 | 0.838 | 0.838 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 244 | GLU | -1 | -0.817 | -0.910 | 18.763 | -13.069 | -13.069 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 245 | SER | 0 | -0.026 | -0.019 | 18.860 | 0.631 | 0.631 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 246 | LEU | 0 | 0.005 | 0.000 | 20.034 | 0.603 | 0.603 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 247 | GLU | -1 | -0.827 | -0.892 | 22.739 | -10.845 | -10.845 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 248 | HIS | 0 | -0.010 | 0.023 | 24.278 | 0.467 | 0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 249 | TRP | 0 | 0.050 | 0.010 | 23.433 | 0.594 | 0.594 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 250 | VAL | 0 | -0.046 | -0.015 | 26.578 | 0.343 | 0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 251 | SER | 0 | -0.085 | -0.049 | 28.398 | 0.377 | 0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 252 | THR | 0 | -0.086 | -0.073 | 30.120 | 0.383 | 0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 253 | GLY | 0 | 0.022 | 0.017 | 30.211 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 254 | LYS | 1 | 0.796 | 0.908 | 31.001 | 8.815 | 8.815 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 255 | LEU | 0 | 0.036 | 0.044 | 25.722 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 256 | ILE | 0 | -0.009 | 0.000 | 30.137 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 257 | ALA | 0 | 0.018 | -0.015 | 29.342 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 258 | GLU | -1 | -0.742 | -0.862 | 23.682 | -11.417 | -11.417 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 259 | LYS | 1 | 0.789 | 0.880 | 24.580 | 10.350 | 10.350 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 260 | GLU | -1 | -0.758 | -0.839 | 26.639 | -8.564 | -8.564 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 261 | PHE | 0 | -0.007 | -0.001 | 19.310 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 262 | TYR | 0 | 0.010 | 0.010 | 24.148 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 263 | SER | 0 | 0.010 | -0.011 | 19.174 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 264 | ASN | 0 | 0.032 | 0.006 | 20.674 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 265 | VAL | 0 | -0.036 | -0.004 | 15.168 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 266 | ARG | 1 | 0.838 | 0.933 | 18.477 | 11.971 | 11.971 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 267 | LEU | 0 | 0.033 | 0.030 | 13.700 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 268 | ARG | 1 | 0.788 | 0.846 | 16.941 | 11.799 | 11.799 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 269 | GLY | 0 | 0.076 | 0.033 | 18.186 | -0.638 | -0.638 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 270 | ALA | 0 | -0.039 | -0.011 | 20.204 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 271 | LYS | 1 | 0.874 | 0.932 | 21.612 | 12.762 | 12.762 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 272 | LYS | 1 | 0.876 | 0.913 | 23.716 | 11.039 | 11.039 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 273 | ALA | 0 | 0.027 | 0.005 | 19.442 | -0.374 | -0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 274 | ARG | 1 | 0.773 | 0.849 | 18.992 | 11.955 | 11.955 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 275 | GLU | -1 | -0.773 | -0.834 | 19.825 | -13.478 | -13.478 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 276 | PHE | 0 | 0.017 | 0.006 | 15.358 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 277 | LEU | 0 | -0.033 | -0.017 | 15.308 | -0.977 | -0.977 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 278 | THR | 0 | -0.082 | -0.054 | 16.954 | -0.378 | -0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 279 | THR | 0 | -0.050 | -0.051 | 18.257 | -0.355 | -0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 280 | GLY | 0 | -0.012 | 0.006 | 14.614 | -0.510 | -0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 281 | ILE | 0 | -0.065 | -0.033 | 11.466 | 1.101 | 1.101 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 282 | GLN | 0 | -0.056 | -0.019 | 14.108 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 283 | TYR | 0 | -0.020 | -0.009 | 15.570 | -0.298 | -0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 284 | LEU | 0 | -0.016 | 0.008 | 12.261 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 285 | GLU | -1 | -0.744 | -0.833 | 16.595 | -10.684 | -10.684 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 286 | PHE | 0 | -0.029 | -0.028 | 14.416 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 287 | ARG | 1 | 0.876 | 0.902 | 20.305 | 10.817 | 10.817 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 288 | LEU | 0 | -0.012 | 0.010 | 21.329 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 289 | PHE | 0 | -0.003 | 0.007 | 21.242 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 290 | ASP | -1 | -0.675 | -0.794 | 26.608 | -8.762 | -8.762 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 291 | LEU | 0 | -0.037 | -0.022 | 30.288 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 292 | ASN | 0 | 0.028 | 0.005 | 31.746 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 293 | PRO | 0 | 0.036 | 0.012 | 33.570 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 294 | PHE | 0 | -0.038 | -0.012 | 36.395 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 295 | GLU | -1 | -0.926 | -0.949 | 33.187 | -8.274 | -8.274 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 296 | ILE | 0 | 0.010 | 0.005 | 36.479 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 297 | TYR | 0 | -0.021 | -0.019 | 34.722 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 298 | GLY | 0 | 0.032 | 0.023 | 34.001 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 299 | ILE | 0 | -0.038 | -0.025 | 26.536 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 300 | SER | 0 | 0.045 | 0.012 | 30.198 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 301 | LEU | 0 | 0.046 | 0.017 | 27.801 | -0.305 | -0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 302 | LYS | 1 | 0.926 | 0.943 | 27.396 | 8.694 | 8.694 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 303 | ASP | -1 | -0.797 | -0.867 | 26.245 | -10.103 | -10.103 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 304 | ALA | 0 | 0.023 | 0.018 | 24.442 | -0.445 | -0.445 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 305 | LYS | 1 | 0.803 | 0.896 | 22.833 | 10.043 | 10.043 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 306 | PHE | 0 | -0.020 | -0.009 | 21.798 | -0.574 | -0.574 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 307 | ILE | 0 | 0.004 | 0.004 | 19.785 | -0.601 | -0.601 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 308 | HIS | 0 | -0.012 | 0.006 | 17.315 | -0.505 | -0.505 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 309 | VAL | 0 | 0.038 | 0.009 | 16.903 | -0.882 | -0.882 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 310 | PHE | 0 | 0.027 | 0.002 | 16.254 | -0.893 | -0.893 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 311 | ALA | 0 | 0.000 | -0.006 | 14.288 | -0.778 | -0.778 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 312 | LEU | 0 | -0.010 | -0.007 | 12.387 | -1.180 | -1.180 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 313 | PHE | 0 | 0.059 | 0.011 | 11.490 | -1.615 | -1.615 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 314 | MET | 0 | -0.068 | -0.011 | 10.974 | -0.925 | -0.925 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 315 | ILE | 0 | -0.058 | -0.021 | 6.634 | -1.331 | -1.331 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 316 | TRP | 0 | 0.033 | 0.012 | 6.998 | -2.819 | -2.819 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 317 | MET | 0 | -0.020 | 0.018 | 8.922 | -0.872 | -0.872 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 318 | ASP | -1 | -0.847 | -0.924 | 6.324 | -32.600 | -32.600 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 319 | HIS | 0 | 0.000 | 0.002 | 5.444 | -3.125 | -3.125 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 320 | THR | 0 | 0.035 | 0.002 | 5.272 | -0.552 | -0.519 | -0.001 | -0.005 | -0.027 | 0.000 |
320 | A | 321 | ALA | 0 | -0.003 | 0.006 | 7.546 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 322 | ASP | -1 | -0.825 | -0.911 | 11.231 | -18.492 | -18.492 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 323 | GLN | 0 | 0.031 | 0.011 | 12.536 | 0.576 | 0.576 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 324 | GLU | -1 | -0.919 | -0.950 | 15.227 | -11.803 | -11.803 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 325 | GLU | -1 | -0.827 | -0.915 | 14.400 | -14.458 | -14.458 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 326 | VAL | 0 | -0.021 | -0.015 | 13.561 | 0.441 | 0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 327 | GLU | -1 | -0.825 | -0.893 | 16.290 | -11.203 | -11.203 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 328 | LEU | 0 | 0.010 | 0.005 | 19.114 | 0.531 | 0.531 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 329 | GLY | 0 | 0.006 | 0.001 | 18.515 | 0.328 | 0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 330 | LYS | 1 | 0.811 | 0.894 | 19.204 | 12.272 | 12.272 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 331 | ALA | 0 | -0.006 | 0.007 | 21.777 | 0.405 | 0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 332 | ARG | 1 | 0.844 | 0.903 | 21.057 | 12.096 | 12.096 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 333 | LEU | 0 | -0.025 | -0.021 | 22.286 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 334 | ALA | 0 | 0.015 | 0.007 | 24.337 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 335 | GLU | -1 | -0.932 | -0.959 | 27.395 | -8.502 | -8.502 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 336 | VAL | 0 | -0.065 | -0.031 | 26.136 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 337 | ALA | 0 | -0.030 | -0.022 | 28.047 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 338 | PHE | 0 | -0.007 | -0.009 | 29.738 | 0.313 | 0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 339 | GLU | -1 | -0.741 | -0.852 | 30.426 | -8.928 | -8.928 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 340 | HIS | 0 | 0.054 | 0.031 | 33.840 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 341 | PRO | 0 | -0.014 | -0.019 | 34.759 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 342 | LEU | 0 | -0.035 | -0.023 | 35.444 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 343 | GLU | -1 | -0.912 | -0.936 | 35.512 | -7.634 | -7.634 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 344 | LYS | 1 | 0.795 | 0.881 | 32.694 | 8.493 | 8.493 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 345 | THR | 0 | -0.017 | 0.001 | 27.834 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 346 | ALA | 0 | 0.023 | 0.000 | 29.376 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 347 | TYR | 0 | 0.003 | 0.000 | 24.273 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 348 | ALA | 0 | 0.005 | -0.003 | 24.896 | -0.420 | -0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 349 | VAL | 0 | 0.039 | 0.017 | 24.280 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 350 | GLU | -1 | -0.730 | -0.819 | 19.998 | -12.974 | -12.974 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 351 | GLY | 0 | 0.014 | 0.010 | 20.787 | -0.506 | -0.506 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 352 | GLU | -1 | -0.973 | -0.994 | 22.244 | -10.483 | -10.483 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 353 | LEU | 0 | -0.038 | -0.020 | 19.735 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 354 | VAL | 0 | 0.013 | 0.010 | 16.664 | -0.568 | -0.568 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 355 | LEU | 0 | -0.023 | -0.023 | 18.448 | -0.388 | -0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 356 | LEU | 0 | -0.024 | -0.005 | 21.138 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 357 | GLU | -1 | -0.853 | -0.950 | 13.965 | -19.729 | -19.729 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 358 | LEU | 0 | -0.028 | -0.004 | 17.038 | -0.412 | -0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 359 | LEU | 0 | -0.051 | -0.016 | 18.478 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 360 | SER | 0 | 0.006 | -0.003 | 18.098 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 361 | MET | 0 | -0.030 | 0.002 | 14.471 | -0.883 | -0.883 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 362 | LEU | 0 | -0.026 | -0.029 | 16.905 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 363 | GLU | -1 | -0.905 | -0.945 | 20.016 | -13.938 | -13.938 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 364 | GLN | 0 | -0.035 | -0.015 | 14.778 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 365 | ILE | 0 | -0.092 | -0.036 | 14.804 | -0.630 | -0.630 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 366 | GLY | 0 | -0.023 | -0.006 | 17.413 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 367 | ALA | 0 | -0.034 | -0.013 | 20.715 | 0.348 | 0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 368 | GLU | -1 | -0.866 | -0.941 | 22.279 | -11.119 | -11.119 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 369 | PRO | 0 | 0.007 | -0.016 | 25.790 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 370 | GLU | -1 | -0.798 | -0.886 | 28.028 | -10.222 | -10.222 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 371 | LEU | 0 | 0.007 | -0.002 | 21.738 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 372 | PHE | 0 | -0.014 | -0.003 | 23.188 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 373 | GLU | -1 | -0.940 | -0.966 | 26.057 | -9.209 | -9.209 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 374 | ILE | 0 | -0.031 | -0.005 | 25.534 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 375 | VAL | 0 | 0.034 | 0.014 | 22.055 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 376 | LYS | 1 | 0.944 | 0.985 | 25.195 | 10.333 | 10.333 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 377 | GLU | -1 | -0.825 | -0.883 | 28.401 | -8.876 | -8.876 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 378 | LYS | 1 | 0.806 | 0.889 | 25.413 | 10.132 | 10.132 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 379 | LEU | 0 | 0.039 | 0.012 | 24.881 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 380 | THR | 0 | -0.073 | -0.055 | 27.862 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 381 | GLN | 0 | -0.035 | -0.015 | 29.647 | 0.325 | 0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 382 | PHE | 0 | 0.066 | 0.051 | 24.839 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 383 | THR | 0 | -0.073 | -0.024 | 30.041 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 384 | ASP | -1 | -0.876 | -0.967 | 33.304 | -7.739 | -7.739 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 385 | PRO | 0 | 0.083 | 0.048 | 33.567 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 386 | SER | 0 | -0.018 | 0.019 | 34.614 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 387 | LYS | 1 | 0.874 | 0.941 | 34.662 | 8.332 | 8.332 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 388 | THR | 0 | -0.006 | -0.005 | 30.804 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 389 | VAL | 0 | -0.031 | -0.005 | 31.243 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 390 | ALA | 0 | 0.091 | 0.047 | 32.869 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 391 | GLY | 0 | -0.002 | 0.006 | 34.649 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 392 | ARG | 1 | 0.896 | 0.942 | 33.998 | 8.404 | 8.404 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 393 | LEU | 0 | 0.022 | 0.023 | 36.327 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 394 | VAL | 0 | 0.022 | 0.019 | 38.508 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 395 | ARG | 1 | 0.953 | 0.979 | 40.809 | 7.164 | 7.164 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 396 | ALA | 0 | -0.057 | -0.035 | 41.859 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 397 | ILE | 0 | 0.009 | 0.004 | 40.322 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 398 | GLU | -1 | -0.945 | -0.982 | 44.337 | -6.290 | -6.290 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 399 | GLN | 0 | -0.107 | -0.044 | 46.627 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 400 | ALA | 0 | 0.001 | 0.006 | 48.001 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 401 | GLY | 0 | -0.034 | -0.010 | 49.343 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 402 | SER | 0 | -0.036 | -0.028 | 47.252 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 403 | ASP | -1 | -0.858 | -0.937 | 41.022 | -6.932 | -6.932 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 404 | GLN | 0 | -0.012 | -0.005 | 44.200 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 405 | GLN | 0 | -0.017 | -0.001 | 46.238 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 406 | LEU | 0 | 0.035 | 0.021 | 41.701 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 407 | GLY | 0 | 0.027 | -0.010 | 43.149 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 408 | ALA | 0 | 0.012 | 0.001 | 44.026 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 409 | GLN | 0 | -0.039 | -0.021 | 47.382 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 410 | LEU | 0 | -0.009 | -0.003 | 41.191 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 411 | ALA | 0 | 0.013 | 0.016 | 44.117 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 412 | GLN | 0 | -0.054 | -0.031 | 45.044 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 413 | GLN | 0 | -0.014 | 0.002 | 44.578 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 414 | TYR | 0 | -0.022 | -0.050 | 39.855 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 415 | LYS | 1 | 0.842 | 0.936 | 44.379 | 5.912 | 5.912 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 416 | ALA | 0 | 0.005 | -0.001 | 46.758 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 417 | GLN | 0 | -0.060 | -0.030 | 43.852 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 418 | ALA | 0 | 0.024 | 0.016 | 44.340 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 419 | PHE | 0 | -0.001 | 0.004 | 45.954 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 420 | GLU | -1 | -0.855 | -0.915 | 48.697 | -5.926 | -5.926 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 421 | ARG | 1 | 0.775 | 0.863 | 48.271 | 5.747 | 5.747 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 422 | PHE | 0 | 0.029 | 0.028 | 49.122 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 423 | TYR | 0 | -0.033 | -0.021 | 49.761 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 424 | ALA | 0 | -0.035 | -0.012 | 47.492 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 425 | LEU | 0 | -0.002 | 0.005 | 42.192 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 426 | SER | 0 | -0.008 | -0.044 | 40.801 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 427 | ALA | 0 | -0.033 | 0.001 | 37.310 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 428 | PHE | 0 | 0.011 | -0.018 | 35.779 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 429 | ASP | -1 | -0.905 | -0.936 | 41.065 | -6.483 | -6.483 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 430 | ASN | 0 | -0.015 | -0.021 | 40.231 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 431 | MET | 0 | 0.009 | 0.033 | 40.984 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 432 | GLU | -1 | -0.815 | -0.886 | 45.117 | -6.158 | -6.158 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 433 | LEU | 0 | 0.046 | 0.017 | 47.914 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 434 | SER | 0 | -0.051 | -0.028 | 49.747 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 435 | THR | 0 | 0.060 | 0.011 | 44.450 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 436 | GLN | 0 | -0.001 | 0.000 | 44.534 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 437 | ALA | 0 | -0.017 | -0.003 | 45.638 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 438 | LEU | 0 | 0.007 | -0.001 | 45.589 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 439 | LEU | 0 | 0.040 | 0.027 | 39.312 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 440 | PHE | 0 | 0.025 | 0.010 | 42.583 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 441 | ASP | -1 | -0.742 | -0.830 | 44.368 | -6.115 | -6.115 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 442 | VAL | 0 | 0.013 | -0.006 | 40.922 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 443 | ILE | 0 | 0.020 | 0.009 | 38.135 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 444 | GLN | 0 | -0.010 | -0.003 | 40.755 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 445 | LYS | 1 | 0.789 | 0.876 | 43.266 | 6.301 | 6.301 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 446 | GLY | 0 | 0.008 | 0.015 | 39.785 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 447 | ILE | 0 | -0.036 | -0.016 | 39.509 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 448 | HIS | 0 | 0.006 | 0.015 | 32.970 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 449 | THR | 0 | -0.045 | -0.050 | 36.442 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 450 | GLU | -1 | -0.901 | -0.951 | 32.583 | -9.295 | -9.295 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 451 | ILE | 0 | -0.002 | -0.004 | 35.537 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 452 | LEU | 0 | -0.040 | -0.013 | 35.772 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 453 | ASP | -1 | -0.776 | -0.889 | 36.757 | -7.934 | -7.934 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 454 | GLU | -1 | -0.776 | -0.851 | 36.860 | -7.940 | -7.940 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 455 | ASN | 0 | -0.100 | -0.062 | 39.309 | 0.302 | 0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 456 | ASP | -1 | -0.835 | -0.904 | 42.458 | -6.718 | -6.718 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 457 | GLN | 0 | -0.024 | -0.009 | 43.597 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 458 | PHE | 0 | 0.000 | 0.001 | 41.214 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 459 | LEU | 0 | 0.014 | -0.003 | 40.174 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 460 | CYS | 0 | -0.043 | -0.023 | 36.197 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 461 | LEU | 0 | 0.022 | 0.029 | 38.954 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 462 | LYS | 1 | 0.819 | 0.889 | 35.355 | 8.266 | 8.266 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 463 | TYR | 0 | -0.005 | -0.002 | 38.890 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 464 | GLY | 0 | 0.014 | 0.006 | 38.460 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 465 | ASP | -1 | -0.853 | -0.931 | 37.644 | -8.251 | -8.251 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 466 | HIS | 1 | 0.728 | 0.850 | 39.200 | 6.707 | 6.707 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 467 | ILE | 0 | -0.002 | -0.012 | 38.344 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 468 | GLU | -1 | -0.794 | -0.849 | 41.347 | -6.504 | -6.504 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 469 | TYR | 0 | -0.021 | -0.016 | 37.421 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 470 | VAL | 0 | -0.010 | -0.001 | 43.475 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 471 | LYS | 1 | 0.819 | 0.898 | 44.497 | 6.560 | 6.560 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 472 | ASN | 0 | -0.026 | -0.031 | 46.787 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 473 | GLY | 0 | 0.014 | 0.019 | 47.740 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 474 | ASN | 0 | -0.058 | -0.072 | 49.081 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 475 | MET | 0 | 0.012 | 0.035 | 49.274 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 476 | THR | 0 | -0.019 | -0.031 | 49.059 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 477 | SER | 0 | 0.013 | -0.031 | 47.144 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 478 | HIS | 0 | -0.051 | -0.032 | 49.845 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 479 | ASP | -1 | -0.834 | -0.895 | 53.135 | -5.548 | -5.548 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 480 | SER | 0 | 0.001 | 0.003 | 53.842 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 481 | TYR | 0 | 0.058 | 0.002 | 53.010 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 482 | ILE | 0 | -0.008 | -0.010 | 55.307 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 483 | SER | 0 | 0.013 | -0.001 | 58.490 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 484 | PRO | 0 | 0.028 | -0.001 | 55.255 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 485 | LEU | 0 | 0.000 | 0.017 | 57.241 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 486 | ILE | 0 | -0.016 | -0.010 | 60.302 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 487 | MET | 0 | -0.036 | 0.008 | 60.180 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 488 | GLU | -1 | -0.876 | -0.930 | 59.730 | -5.100 | -5.100 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 489 | ASN | 0 | -0.060 | -0.022 | 61.843 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 490 | LYS | 1 | 0.916 | 0.962 | 64.936 | 4.791 | 4.791 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 491 | VAL | 0 | -0.040 | -0.051 | 67.399 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 492 | VAL | 0 | -0.022 | -0.017 | 66.088 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 493 | THR | 0 | 0.060 | 0.012 | 65.923 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 494 | LYS | 1 | 0.894 | 0.943 | 68.376 | 4.384 | 4.384 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 495 | LYS | 1 | 0.918 | 0.963 | 71.434 | 4.473 | 4.473 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 496 | VAL | 0 | -0.036 | -0.015 | 67.534 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 497 | LEU | 0 | 0.027 | 0.007 | 68.787 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 498 | GLN | 0 | 0.010 | 0.005 | 72.333 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 499 | LYS | 1 | 0.887 | 0.952 | 70.432 | 4.538 | 4.538 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 500 | ALA | 0 | -0.030 | -0.011 | 72.482 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 501 | GLY | 0 | -0.001 | 0.010 | 74.643 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 502 | PHE | 0 | -0.011 | -0.007 | 71.219 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 503 | ASN | 0 | 0.008 | -0.005 | 76.100 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 504 | VAL | 0 | 0.007 | 0.010 | 74.012 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 505 | PRO | 0 | 0.032 | 0.034 | 74.836 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 506 | GLN | 0 | -0.011 | -0.013 | 76.299 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 507 | SER | 0 | -0.008 | -0.037 | 77.330 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 508 | VAL | 0 | -0.022 | -0.013 | 79.128 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 509 | GLU | -1 | -0.828 | -0.886 | 77.494 | -4.126 | -4.126 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 510 | PHE | 0 | -0.089 | -0.050 | 80.910 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 511 | THR | 0 | 0.012 | -0.018 | 81.645 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 512 | SER | 0 | -0.072 | -0.055 | 83.888 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 513 | LEU | 0 | 0.071 | 0.048 | 87.724 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 514 | GLU | -1 | -0.832 | -0.901 | 89.916 | -3.553 | -3.553 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 515 | LYS | 1 | 0.912 | 0.956 | 85.542 | 3.786 | 3.786 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 516 | ALA | 0 | 0.033 | 0.031 | 87.926 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 517 | VAL | 0 | 0.017 | -0.004 | 89.620 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 518 | ALA | 0 | -0.065 | -0.033 | 93.141 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 519 | SER | 0 | -0.046 | -0.049 | 89.303 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 520 | TYR | 0 | -0.053 | -0.052 | 90.908 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 521 | ALA | 0 | 0.013 | -0.006 | 92.255 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 522 | LEU | 0 | -0.076 | -0.019 | 85.816 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 523 | PHE | 0 | -0.012 | -0.021 | 85.436 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 524 | GLU | -1 | -0.778 | -0.837 | 89.512 | -3.337 | -3.337 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 525 | ASN | 0 | -0.089 | -0.044 | 92.077 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 526 | ARG | 1 | 0.789 | 0.847 | 83.034 | 3.792 | 3.792 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 527 | ALA | 0 | 0.029 | 0.032 | 85.717 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 528 | VAL | 0 | -0.018 | -0.013 | 83.893 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 529 | VAL | 0 | -0.004 | 0.001 | 80.396 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 530 | ILE | 0 | -0.020 | -0.004 | 82.864 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 531 | LYS | 1 | 0.882 | 0.912 | 76.101 | 4.201 | 4.201 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 532 | PRO | 0 | 0.042 | 0.034 | 79.652 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 533 | LYS | 1 | 0.863 | 0.946 | 72.456 | 4.359 | 4.359 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 534 | SER | 0 | -0.075 | -0.067 | 74.705 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 535 | THR | 0 | -0.033 | -0.032 | 76.112 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 536 | ASN | 0 | -0.054 | -0.023 | 76.502 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 537 | TYR | 0 | -0.020 | -0.032 | 77.320 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 538 | GLY | 0 | 0.041 | 0.033 | 78.855 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 539 | LEU | 0 | -0.004 | 0.004 | 80.227 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 540 | GLY | 0 | 0.057 | 0.026 | 82.165 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 541 | ILE | 0 | -0.051 | -0.018 | 78.746 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 542 | THR | 0 | -0.012 | -0.004 | 83.276 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 543 | ILE | 0 | -0.027 | -0.020 | 81.968 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 544 | PHE | 0 | -0.019 | 0.001 | 85.671 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 545 | GLN | 0 | 0.044 | 0.008 | 85.189 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 546 | GLN | 0 | -0.027 | 0.001 | 87.123 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 547 | GLY | 0 | 0.047 | 0.009 | 89.916 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 548 | VAL | 0 | -0.023 | 0.008 | 89.582 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 549 | GLN | 0 | -0.032 | -0.030 | 92.170 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 550 | ASN | 0 | 0.006 | -0.013 | 95.531 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 551 | ARG | 1 | 0.936 | 0.975 | 95.726 | 3.261 | 3.261 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 552 | GLU | -1 | -0.896 | -0.946 | 96.268 | -3.314 | -3.314 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 553 | ASP | -1 | -0.860 | -0.924 | 94.264 | -3.370 | -3.370 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 554 | PHE | 0 | 0.023 | 0.007 | 88.794 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 555 | ALA | 0 | 0.011 | 0.004 | 91.644 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 556 | LYS | 1 | 0.866 | 0.928 | 92.694 | 3.330 | 3.330 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 557 | ALA | 0 | 0.023 | 0.016 | 88.663 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 558 | LEU | 0 | -0.003 | -0.004 | 87.132 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 559 | GLU | -1 | -0.849 | -0.900 | 88.210 | -3.480 | -3.480 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 560 | ILE | 0 | -0.040 | -0.034 | 87.532 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 561 | ALA | 0 | 0.019 | 0.028 | 84.117 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 562 | PHE | 0 | 0.010 | -0.018 | 84.302 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 563 | ARG | 1 | 0.742 | 0.866 | 86.137 | 3.531 | 3.531 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 564 | GLU | -1 | -0.813 | -0.886 | 80.453 | -4.011 | -4.011 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 565 | ASP | -1 | -0.823 | -0.896 | 77.788 | -4.226 | -4.226 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 566 | LYS | 1 | 0.798 | 0.886 | 80.176 | 4.081 | 4.081 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 567 | GLU | -1 | -0.828 | -0.882 | 78.148 | -4.030 | -4.030 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 568 | VAL | 0 | 0.023 | 0.017 | 80.278 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 569 | MET | 0 | -0.011 | 0.021 | 75.855 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 570 | VAL | 0 | -0.024 | -0.011 | 81.010 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 571 | GLU | -1 | -0.903 | -0.961 | 76.959 | -4.187 | -4.187 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 572 | ASP | -1 | -0.799 | -0.875 | 80.121 | -3.855 | -3.855 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 573 | TYR | 0 | 0.007 | 0.009 | 79.899 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 574 | LEU | 0 | -0.004 | -0.004 | 76.884 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 575 | VAL | 0 | -0.004 | -0.012 | 79.849 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 576 | GLY | 0 | 0.024 | 0.011 | 78.777 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 577 | THR | 0 | -0.020 | 0.006 | 74.543 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 578 | GLU | -1 | -0.892 | -0.948 | 68.546 | -4.602 | -4.602 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 579 | TYR | 0 | -0.016 | -0.032 | 69.515 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 580 | ARG | 1 | 0.787 | 0.910 | 62.723 | 4.932 | 4.932 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 581 | PHE | 0 | 0.043 | -0.001 | 65.323 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 582 | PHE | 0 | -0.005 | -0.017 | 56.072 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 583 | VAL | 0 | -0.031 | -0.022 | 61.769 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 584 | LEU | 0 | 0.013 | 0.002 | 54.943 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 585 | GLY | 0 | 0.032 | 0.011 | 58.966 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 586 | ASP | -1 | -0.907 | -0.936 | 59.985 | -4.955 | -4.955 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 587 | GLU | -1 | -0.875 | -0.936 | 62.591 | -4.659 | -4.659 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 588 | THR | 0 | -0.062 | -0.030 | 62.666 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 589 | LEU | 0 | -0.022 | -0.010 | 58.122 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 590 | ALA | 0 | 0.008 | 0.006 | 61.466 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 591 | VAL | 0 | -0.007 | -0.001 | 63.348 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 592 | LEU | 0 | -0.034 | 0.001 | 62.230 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 593 | LEU | 0 | 0.023 | 0.020 | 65.996 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 594 | ARG | 1 | 0.868 | 0.908 | 62.883 | 4.775 | 4.775 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 595 | VAL | 0 | 0.039 | 0.022 | 68.291 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 596 | PRO | 0 | -0.006 | -0.012 | 69.309 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 597 | ALA | 0 | 0.000 | 0.021 | 68.741 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 598 | ASN | 0 | -0.056 | -0.049 | 70.053 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 599 | VAL | 0 | 0.052 | 0.028 | 70.941 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 600 | VAL | 0 | 0.054 | 0.021 | 73.186 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 601 | GLY | 0 | 0.035 | -0.006 | 75.608 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 602 | ASP | -1 | -0.940 | -0.968 | 76.139 | -4.012 | -4.012 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 603 | SER | 0 | -0.033 | -0.017 | 74.629 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 604 | VAL | 0 | -0.108 | -0.048 | 76.848 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 605 | HIS | 0 | 0.036 | 0.022 | 73.813 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 606 | SER | 0 | -0.012 | -0.042 | 75.692 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 607 | VAL | 0 | 0.014 | -0.008 | 73.867 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 608 | ALA | 0 | -0.006 | -0.003 | 72.195 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 609 | GLU | -1 | -0.840 | -0.886 | 70.697 | -4.245 | -4.245 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 610 | LEU | 0 | 0.023 | 0.017 | 70.294 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 611 | VAL | 0 | -0.015 | -0.017 | 68.119 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 612 | ALA | 0 | -0.044 | -0.019 | 66.509 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 613 | MET | 0 | 0.008 | -0.004 | 65.587 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 614 | LYS | 1 | 0.760 | 0.887 | 65.874 | 4.492 | 4.492 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 615 | ASN | 0 | -0.043 | -0.037 | 63.170 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 616 | ASP | -1 | -0.933 | -0.953 | 61.541 | -5.103 | -5.103 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 617 | HIS | 0 | 0.052 | 0.025 | 59.973 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 618 | PRO | 0 | 0.036 | 0.008 | 55.389 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 619 | LEU | 0 | 0.006 | 0.007 | 55.583 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 620 | ARG | 1 | 0.777 | 0.883 | 57.064 | 4.870 | 4.870 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 621 | GLY | 0 | 0.048 | 0.008 | 56.002 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 622 | ASP | -1 | -0.788 | -0.869 | 55.018 | -5.429 | -5.429 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 623 | GLY | 0 | -0.006 | 0.011 | 55.763 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 624 | SER | 0 | -0.068 | -0.047 | 53.550 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 625 | ARG | 1 | 0.818 | 0.893 | 47.401 | 6.291 | 6.291 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 626 | THR | 0 | -0.027 | -0.025 | 51.638 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 627 | PRO | 0 | 0.017 | 0.002 | 54.151 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 628 | LEU | 0 | -0.037 | -0.008 | 56.749 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 629 | LYS | 1 | 0.855 | 0.943 | 59.157 | 5.199 | 5.199 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 630 | LYS | 1 | 0.869 | 0.933 | 58.505 | 5.305 | 5.305 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 631 | ILE | 0 | -0.008 | 0.006 | 62.484 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 632 | ALA | 0 | -0.014 | 0.002 | 66.047 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 633 | LEU | 0 | 0.021 | -0.004 | 67.606 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 634 | GLY | 0 | 0.027 | 0.031 | 70.658 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 635 | GLU | -1 | -0.775 | -0.904 | 71.553 | -4.038 | -4.038 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 636 | ILE | 0 | -0.025 | -0.007 | 71.933 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 637 | GLU | -1 | -0.753 | -0.859 | 69.823 | -4.484 | -4.484 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 638 | GLN | 0 | 0.025 | 0.016 | 73.944 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 639 | LEU | 0 | -0.087 | -0.047 | 76.750 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 640 | GLN | 0 | 0.014 | 0.017 | 75.696 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 641 | LEU | 0 | 0.005 | -0.005 | 75.635 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 642 | LYS | 1 | 0.819 | 0.896 | 79.257 | 4.052 | 4.052 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 643 | GLU | -1 | -0.894 | -0.933 | 80.523 | -3.904 | -3.904 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 644 | GLN | 0 | -0.045 | -0.012 | 79.486 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 645 | GLY | 0 | -0.016 | 0.007 | 82.925 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 646 | LEU | 0 | -0.043 | -0.025 | 79.546 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 647 | THR | 0 | -0.062 | -0.046 | 79.935 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 648 | ILE | 0 | 0.006 | 0.000 | 72.809 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 649 | ASP | -1 | -0.871 | -0.943 | 76.700 | -4.061 | -4.061 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 650 | SER | 0 | -0.063 | -0.022 | 78.824 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 651 | ILE | 0 | -0.005 | -0.003 | 79.264 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 652 | PRO | 0 | -0.018 | 0.014 | 77.091 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 653 | ALA | 0 | -0.002 | -0.002 | 80.222 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 654 | LYS | 1 | 0.902 | 0.943 | 82.016 | 3.615 | 3.615 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 655 | ASP | -1 | -0.851 | -0.934 | 78.341 | -3.944 | -3.944 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 656 | GLN | 0 | -0.002 | 0.018 | 80.033 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 657 | LEU | 0 | -0.001 | 0.009 | 75.030 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 658 | VAL | 0 | -0.023 | -0.005 | 76.543 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 659 | GLN | 0 | -0.052 | -0.038 | 75.518 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 660 | LEU | 0 | 0.018 | -0.003 | 72.336 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 661 | ARG | 1 | 0.784 | 0.862 | 69.081 | 4.490 | 4.490 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 662 | ALA | 0 | 0.079 | 0.037 | 73.389 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 663 | ASN | 0 | -0.043 | -0.028 | 70.868 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 664 | SER | 0 | 0.030 | 0.019 | 70.121 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 665 | ASN | 0 | 0.069 | 0.045 | 64.558 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 666 | ILE | 0 | 0.090 | 0.042 | 60.971 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 667 | SER | 0 | -0.028 | -0.020 | 61.668 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 668 | THR | 0 | -0.145 | -0.085 | 62.686 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 669 | GLY | 0 | 0.063 | 0.029 | 64.217 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 670 | GLY | 0 | -0.038 | -0.005 | 65.203 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 671 | ASP | -1 | -0.763 | -0.849 | 65.030 | -4.691 | -4.691 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 672 | SER | 0 | 0.040 | 0.017 | 61.700 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 673 | ILE | 0 | 0.024 | 0.000 | 64.897 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 674 | ASP | -1 | -0.765 | -0.839 | 63.966 | -4.734 | -4.734 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 675 | MET | 0 | 0.006 | -0.004 | 65.919 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 676 | THR | 0 | -0.018 | -0.034 | 65.017 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 677 | ASP | -1 | -0.792 | -0.883 | 67.401 | -4.612 | -4.612 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 678 | GLU | -1 | -0.818 | -0.889 | 69.955 | -4.111 | -4.111 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 679 | MET | 0 | -0.046 | 0.023 | 71.171 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 680 | HIS | 0 | 0.018 | -0.003 | 72.919 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 681 | GLU | -1 | -0.784 | -0.911 | 71.531 | -4.371 | -4.371 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 682 | SER | 0 | 0.004 | 0.025 | 73.456 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 683 | TYR | 0 | -0.003 | -0.026 | 73.378 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 684 | LYS | 1 | 0.853 | 0.931 | 69.102 | 4.369 | 4.369 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 685 | GLN | 0 | 0.002 | -0.005 | 69.421 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 686 | LEU | 0 | -0.016 | 0.003 | 70.980 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 687 | ALA | 0 | 0.003 | 0.014 | 67.262 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 688 | VAL | 0 | 0.029 | 0.017 | 65.833 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 689 | GLY | 0 | -0.005 | -0.010 | 67.091 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 690 | ILE | 0 | -0.002 | -0.010 | 66.767 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 691 | THR | 0 | 0.022 | 0.003 | 62.115 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 692 | LYS | 1 | 0.778 | 0.870 | 62.759 | 4.924 | 4.924 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | A | 693 | ALA | 0 | -0.038 | -0.013 | 65.955 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | A | 694 | MET | 0 | -0.054 | -0.025 | 63.150 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | A | 695 | GLY | 0 | -0.019 | 0.004 | 62.397 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | A | 696 | ALA | 0 | -0.050 | -0.009 | 59.280 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | A | 697 | ALA | 0 | 0.002 | 0.010 | 56.052 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | A | 698 | VAL | 0 | 0.007 | -0.009 | 54.499 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | A | 699 | CYS | 0 | -0.054 | -0.013 | 57.770 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | A | 700 | GLY | 0 | 0.002 | 0.007 | 60.572 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | A | 701 | VAL | 0 | -0.027 | -0.030 | 62.184 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | A | 702 | ASP | -1 | -0.774 | -0.858 | 65.922 | -4.777 | -4.777 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | A | 703 | LEU | 0 | -0.016 | -0.013 | 68.285 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | A | 704 | ILE | 0 | -0.015 | -0.006 | 71.721 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | A | 705 | ILE | 0 | -0.017 | -0.017 | 73.380 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | A | 706 | PRO | 0 | 0.011 | 0.000 | 77.113 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | A | 707 | ASP | -1 | -0.792 | -0.885 | 79.668 | -3.874 | -3.874 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | A | 708 | LEU | 0 | 0.005 | 0.004 | 73.722 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | A | 709 | LYS | 1 | 0.758 | 0.856 | 75.903 | 4.082 | 4.082 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | A | 710 | GLN | 0 | -0.050 | -0.036 | 79.664 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | A | 711 | PRO | 0 | -0.027 | -0.012 | 80.115 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | A | 712 | ALA | 0 | -0.013 | 0.006 | 77.922 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | A | 713 | THR | 0 | -0.013 | -0.003 | 80.095 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | A | 714 | PRO | 0 | -0.027 | -0.031 | 80.753 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | A | 715 | ASN | 0 | -0.010 | -0.003 | 81.095 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | A | 716 | LEU | 0 | 0.057 | 0.029 | 79.583 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | A | 717 | THR | 0 | -0.048 | -0.020 | 81.753 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | A | 718 | SER | 0 | -0.034 | -0.012 | 81.830 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | A | 719 | TRP | 0 | -0.006 | -0.009 | 73.100 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | A | 720 | GLY | 0 | 0.060 | 0.038 | 76.558 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | A | 721 | VAL | 0 | -0.053 | -0.014 | 70.332 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | A | 722 | ILE | 0 | -0.001 | -0.001 | 69.741 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | A | 723 | GLU | -1 | -0.875 | -0.923 | 64.815 | -4.899 | -4.899 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | A | 724 | ALA | 0 | 0.025 | 0.015 | 64.916 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | A | 725 | ASN | 0 | -0.031 | -0.023 | 60.443 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | A | 726 | PHE | 0 | 0.084 | 0.015 | 55.065 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | A | 727 | ASN | 0 | 0.007 | 0.007 | 52.490 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | A | 728 | PRO | 0 | -0.001 | 0.021 | 55.883 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | A | 729 | MET | 0 | 0.036 | 0.019 | 55.159 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | A | 730 | MET | 0 | 0.009 | 0.013 | 50.849 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | A | 731 | MET | 0 | 0.011 | 0.019 | 53.192 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | A | 732 | HCS | 0 | 0.008 | -0.004 | 55.078 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | A | 733 | HIS | 0 | -0.007 | 0.004 | 58.224 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | A | 734 | ILE | 0 | -0.012 | 0.006 | 52.601 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | A | 735 | PHE | 0 | -0.021 | -0.009 | 52.258 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | A | 736 | PRO | 0 | -0.021 | -0.001 | 58.163 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | A | 737 | TYR | 0 | 0.005 | 0.003 | 61.674 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | A | 738 | ALA | 0 | -0.007 | -0.005 | 63.699 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | A | 739 | GLY | 0 | 0.022 | 0.007 | 64.804 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | A | 740 | LYS | 1 | 0.858 | 0.928 | 63.205 | 4.692 | 4.692 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | A | 741 | SER | 0 | 0.005 | -0.019 | 58.183 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | A | 742 | ARG | 1 | 0.727 | 0.829 | 59.193 | 4.836 | 4.836 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | A | 743 | ARG | 1 | 0.877 | 0.925 | 49.134 | 5.953 | 5.953 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | A | 744 | LEU | 0 | 0.013 | 0.004 | 54.339 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | A | 745 | THR | 0 | 0.026 | -0.016 | 49.785 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | A | 746 | GLN | 0 | -0.046 | -0.027 | 50.510 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | A | 747 | ASN | 0 | -0.003 | -0.004 | 51.673 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | A | 748 | VAL | 0 | 0.027 | 0.017 | 49.703 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | A | 749 | ILE | 0 | 0.020 | 0.011 | 46.559 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | A | 750 | LYS | 1 | 0.782 | 0.874 | 48.873 | 5.994 | 5.994 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | A | 751 | MET | 0 | -0.013 | 0.005 | 51.211 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | A | 752 | LEU | 0 | -0.023 | 0.015 | 46.856 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | A | 753 | PHE | 0 | -0.007 | -0.006 | 42.963 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | A | 754 | PRO | 0 | 0.034 | 0.019 | 47.941 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
754 | A | 755 | GLU | -1 | -0.787 | -0.876 | 45.563 | -6.497 | -6.497 | 0.000 | 0.000 | 0.000 | 0.000 |
755 | A | 756 | LEU | 0 | -0.057 | -0.010 | 44.161 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |