![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: JLJ19
Calculation Name: 2I3O-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2I3O
Chain ID: A
UniProt ID: Q9HJH4
Base Structure: X-ray
Registration Date: 2023-09-20
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 | OptHSide |
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 | 504 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -10522212.082632 |
---|---|
FMO2-HF: Nuclear repulsion | 10325851.044199 |
FMO2-HF: Total energy | -196361.038433 |
FMO2-MP2: Total energy | -196930.074383 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F030919/ligand_interaction/ligand_F030919.png)
Ligand Interaction
![ligand interaction](./Kdata/F030919/ligand_interaction/ligand_interaction_F030919.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:MET)
Summations of interaction energy for
fragment #1(A:1:MET)
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. |
-7.497 | -10.147 | 12.773 | -4.845 | -5.277 | 0.005 |
Interaction energy analysis for fragmet #1(A:1:MET)
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 | ARG | 1 | 0.816 | 0.874 | 2.250 | -7.088 | -10.337 | 12.760 | -4.625 | -4.886 | 0.006 |
4 | A | 4 | SER | 0 | -0.076 | -0.058 | 5.537 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 5 | ARG | 1 | 0.868 | 0.940 | 9.213 | -0.273 | -0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | PRO | 0 | -0.034 | -0.014 | 8.197 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | ASN | 0 | 0.047 | 0.005 | 6.703 | -0.521 | -0.521 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | ALA | 0 | -0.007 | 0.011 | 10.450 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | LEU | 0 | -0.001 | -0.011 | 10.307 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | SER | 0 | -0.024 | -0.029 | 14.627 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | GLN | 0 | -0.005 | 0.007 | 18.152 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | ARG | 1 | 0.940 | 0.990 | 20.408 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | SER | 0 | 0.094 | 0.040 | 21.310 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | VAL | 0 | -0.070 | -0.024 | 16.313 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | ILE | 0 | 0.014 | 0.026 | 19.596 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | ALA | 0 | 0.022 | 0.016 | 17.611 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | SER | 0 | 0.017 | -0.010 | 19.517 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | SER | 0 | 0.034 | 0.004 | 20.676 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | SER | 0 | 0.018 | -0.005 | 22.092 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | GLU | -1 | -0.877 | -0.934 | 20.744 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | LEU | 0 | 0.018 | -0.005 | 23.026 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | ALA | 0 | 0.010 | 0.008 | 25.979 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | SER | 0 | 0.015 | -0.007 | 21.167 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | LEU | 0 | -0.012 | 0.000 | 23.301 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | ALA | 0 | 0.004 | 0.016 | 25.567 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | GLY | 0 | 0.045 | 0.015 | 26.885 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | ARG | 1 | 0.882 | 0.923 | 23.882 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | ASP | -1 | -0.889 | -0.948 | 26.209 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | ILE | 0 | -0.021 | -0.003 | 29.591 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | LEU | 0 | -0.009 | 0.012 | 25.348 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | LYS | 1 | 0.876 | 0.941 | 28.663 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | ARG | 1 | 0.729 | 0.848 | 30.126 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | GLY | 0 | -0.004 | -0.004 | 32.293 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | GLY | 0 | 0.037 | 0.034 | 32.989 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | ASN | 0 | -0.003 | -0.001 | 30.649 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | ILE | 0 | 0.048 | -0.006 | 25.375 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | PHE | 0 | 0.017 | 0.006 | 28.388 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | ASP | -1 | -0.711 | -0.824 | 31.179 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | ALA | 0 | -0.018 | -0.019 | 27.865 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | ALA | 0 | 0.010 | -0.001 | 28.335 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | LEU | 0 | -0.020 | 0.001 | 29.269 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | ALA | 0 | 0.022 | 0.019 | 31.061 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | VAL | 0 | -0.029 | -0.008 | 25.843 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | SER | 0 | 0.013 | -0.012 | 29.113 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | ALA | 0 | 0.056 | 0.023 | 30.870 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | MET | 0 | 0.021 | 0.007 | 30.036 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | LEU | 0 | -0.020 | 0.006 | 25.983 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | CYS | 0 | -0.090 | -0.028 | 30.078 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | VAL | 0 | -0.034 | -0.013 | 32.814 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | THR | 0 | -0.011 | -0.012 | 28.921 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | GLN | 0 | 0.033 | 0.028 | 25.257 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | ASN | 0 | 0.000 | 0.009 | 29.427 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | ASN | 0 | -0.014 | -0.013 | 27.593 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | LEU | 0 | -0.018 | -0.015 | 25.722 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | CYS | 0 | -0.075 | -0.016 | 30.107 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | GLY | 0 | 0.106 | 0.047 | 32.497 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | LEU | 0 | 0.006 | 0.008 | 35.490 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | GLY | 0 | 0.015 | 0.006 | 38.655 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | GLY | 0 | 0.021 | 0.007 | 36.432 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | ASP | -1 | -0.752 | -0.848 | 35.982 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | LEU | 0 | -0.050 | -0.027 | 31.802 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | PHE | 0 | -0.004 | 0.009 | 31.426 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | ALA | 0 | 0.002 | -0.008 | 29.496 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | LEU | 0 | -0.001 | 0.040 | 26.607 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | ILE | 0 | -0.052 | -0.034 | 28.258 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | ARG | 1 | 0.854 | 0.916 | 25.911 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | ASP | -1 | -0.787 | -0.891 | 28.874 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | GLU | -1 | -0.784 | -0.890 | 29.191 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | ASN | 0 | -0.118 | -0.056 | 30.272 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | GLY | 0 | 0.029 | 0.021 | 29.648 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | GLN | 0 | -0.054 | -0.016 | 30.668 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | ILE | 0 | 0.031 | 0.007 | 28.011 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | MET | 0 | -0.095 | -0.038 | 31.985 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | ASP | -1 | -0.758 | -0.866 | 32.441 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | LEU | 0 | -0.051 | -0.032 | 33.290 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | ASN | 0 | 0.028 | -0.010 | 34.269 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | GLY | 0 | 0.064 | 0.005 | 35.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | SER | 0 | -0.054 | -0.013 | 37.405 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | GLY | 0 | 0.061 | 0.016 | 38.801 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | GLN | 0 | -0.079 | -0.035 | 42.208 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | ALA | 0 | 0.012 | -0.004 | 45.020 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | SER | 0 | 0.017 | -0.015 | 47.038 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | ARG | 1 | 0.829 | 0.900 | 49.953 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | ALA | 0 | -0.010 | 0.000 | 53.404 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | VAL | 0 | -0.007 | 0.021 | 49.327 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | SER | 0 | 0.002 | -0.022 | 52.453 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | ILE | 0 | 0.055 | 0.015 | 51.160 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | ASP | -1 | -0.939 | -0.961 | 53.333 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | TYR | 0 | 0.018 | 0.009 | 52.145 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | TYR | 0 | -0.020 | -0.043 | 48.371 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | GLU | -1 | -0.852 | -0.938 | 53.625 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | SER | 0 | -0.052 | -0.005 | 56.014 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | MET | 0 | -0.095 | -0.044 | 54.394 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | GLY | 0 | -0.030 | -0.007 | 56.333 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | LEU | 0 | -0.090 | -0.040 | 50.499 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | THR | 0 | 0.052 | 0.028 | 51.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | LYS | 1 | 0.914 | 0.945 | 41.739 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | ILE | 0 | -0.027 | 0.013 | 45.048 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | PRO | 0 | -0.012 | -0.002 | 44.748 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | GLU | -1 | -0.846 | -0.943 | 38.919 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | ARG | 1 | 0.873 | 0.924 | 35.787 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | GLY | 0 | 0.032 | 0.018 | 42.990 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | PRO | 0 | 0.009 | -0.012 | 45.828 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | TYR | 0 | 0.009 | 0.002 | 48.483 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | ALA | 0 | 0.033 | 0.045 | 43.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | ALA | 0 | -0.029 | -0.007 | 43.666 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | ILE | 0 | -0.033 | -0.017 | 44.667 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | THR | 0 | -0.014 | -0.012 | 41.650 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | VAL | 0 | -0.049 | -0.015 | 43.825 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | PRO | 0 | -0.004 | 0.029 | 40.763 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | GLY | 0 | 0.056 | 0.042 | 39.776 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | ILE | 0 | 0.005 | 0.017 | 33.887 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | ALA | 0 | 0.084 | 0.059 | 37.627 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | GLY | 0 | -0.005 | -0.012 | 40.112 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | SER | 0 | -0.048 | -0.041 | 36.168 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | TRP | 0 | 0.030 | -0.007 | 33.719 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | ASP | -1 | -0.846 | -0.908 | 37.557 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | GLU | -1 | -0.805 | -0.882 | 38.667 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | ILE | 0 | -0.004 | -0.010 | 32.885 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | PHE | 0 | -0.006 | -0.013 | 36.591 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | ARG | 1 | 0.768 | 0.855 | 38.510 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | LYS | 1 | 0.816 | 0.905 | 38.028 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | PHE | 0 | -0.008 | -0.016 | 34.059 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | ALA | 0 | -0.042 | 0.005 | 35.588 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | THR | 0 | -0.096 | -0.071 | 35.826 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | MET | 0 | -0.053 | -0.019 | 35.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | ASP | -1 | -0.857 | -0.923 | 38.740 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | ILE | 0 | -0.021 | -0.025 | 39.853 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | ALA | 0 | 0.041 | 0.020 | 40.096 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | ASP | -1 | -0.836 | -0.905 | 37.857 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | ILE | 0 | -0.061 | -0.030 | 34.761 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | LEU | 0 | 0.007 | -0.007 | 35.427 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | GLU | -1 | -0.827 | -0.875 | 37.698 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | PRO | 0 | -0.023 | -0.016 | 32.888 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | ALA | 0 | 0.040 | 0.024 | 34.784 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | ILE | 0 | 0.052 | 0.027 | 35.609 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | ARG | 1 | 0.869 | 0.931 | 34.752 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | THR | 0 | -0.006 | -0.015 | 32.332 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | ALA | 0 | -0.003 | 0.011 | 35.571 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | SER | 0 | -0.075 | -0.052 | 37.976 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | ALA | 0 | -0.044 | -0.023 | 37.484 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | GLY | 0 | -0.013 | -0.010 | 36.726 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | PHE | 0 | -0.028 | -0.017 | 30.072 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | PRO | 0 | -0.010 | 0.001 | 30.010 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | ILE | 0 | -0.035 | -0.003 | 29.783 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | THR | 0 | 0.033 | -0.010 | 24.437 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | GLN | 0 | 0.016 | -0.026 | 24.631 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | ASN | 0 | 0.021 | 0.007 | 20.996 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | TYR | 0 | -0.032 | -0.022 | 25.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | SER | 0 | -0.025 | -0.031 | 28.537 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | ASP | -1 | -0.828 | -0.922 | 26.581 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | SER | 0 | -0.082 | -0.042 | 28.284 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | ILE | 0 | -0.008 | 0.017 | 30.586 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | ALA | 0 | 0.015 | 0.002 | 32.563 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | ARG | 1 | 0.931 | 0.960 | 26.633 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | SER | 0 | -0.015 | -0.010 | 33.623 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | ALA | 0 | 0.013 | 0.004 | 36.042 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | PRO | 0 | -0.048 | -0.026 | 37.321 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | VAL | 0 | -0.003 | 0.008 | 37.503 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | ILE | 0 | -0.020 | -0.011 | 37.824 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | GLY | 0 | 0.052 | 0.031 | 41.605 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | GLN | 0 | -0.054 | -0.023 | 42.560 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | TYR | 0 | -0.027 | -0.010 | 43.458 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | ARG | 1 | 1.012 | 1.001 | 45.045 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | GLY | 0 | -0.003 | 0.013 | 46.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | TRP | 0 | 0.053 | 0.035 | 36.534 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | SER | 0 | 0.047 | 0.009 | 41.500 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | SER | 0 | -0.093 | -0.060 | 42.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | ILE | 0 | -0.006 | 0.005 | 39.551 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | PHE | 0 | 0.023 | -0.001 | 36.028 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | MET | 0 | -0.036 | -0.015 | 38.081 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | PRO | 0 | 0.006 | 0.020 | 40.116 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | ASN | 0 | -0.037 | -0.025 | 41.319 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | GLY | 0 | -0.015 | -0.003 | 43.850 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | SER | 0 | -0.028 | -0.016 | 39.991 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | VAL | 0 | -0.024 | -0.022 | 34.422 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | PRO | 0 | -0.019 | 0.016 | 34.970 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | VAL | 0 | 0.019 | 0.011 | 32.402 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | ALA | 0 | 0.033 | 0.012 | 28.227 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | GLY | 0 | -0.039 | -0.021 | 30.307 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | GLU | -1 | -0.890 | -0.936 | 31.439 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | ILE | 0 | -0.056 | -0.029 | 33.839 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | LEU | 0 | 0.001 | 0.021 | 33.988 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | LYS | 1 | 0.919 | 0.953 | 36.556 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | GLN | 0 | 0.000 | -0.002 | 35.018 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | PRO | 0 | 0.029 | 0.001 | 40.380 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | ASP | -1 | -0.848 | -0.920 | 43.736 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | LEU | 0 | -0.024 | -0.003 | 37.051 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | ALA | 0 | -0.014 | -0.019 | 41.182 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | GLU | -1 | -0.840 | -0.902 | 42.078 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | SER | 0 | -0.004 | -0.009 | 42.856 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | PHE | 0 | -0.018 | -0.023 | 36.462 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | ARG | 1 | 0.895 | 0.936 | 42.125 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | LEU | 0 | 0.035 | 0.016 | 44.820 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | MET | 0 | -0.044 | -0.005 | 40.782 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | SER | 0 | -0.037 | -0.015 | 42.753 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | GLU | -1 | -0.979 | -0.986 | 44.165 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | GLU | -1 | -0.835 | -0.892 | 47.827 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | GLY | 0 | 0.007 | 0.018 | 45.073 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | PHE | 0 | 0.045 | 0.006 | 38.037 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | ARG | 1 | 0.821 | 0.893 | 43.343 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | SER | 0 | 0.005 | 0.017 | 46.119 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | PHE | 0 | 0.027 | -0.003 | 42.655 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | TYR | 0 | -0.106 | -0.094 | 42.311 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | ASP | -1 | -0.856 | -0.952 | 48.446 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | GLY | 0 | -0.010 | 0.011 | 50.448 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | SER | 0 | 0.015 | -0.035 | 51.645 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | LEU | 0 | -0.042 | -0.016 | 44.732 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | ALA | 0 | 0.034 | 0.026 | 49.380 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | ASP | -1 | -0.912 | -0.953 | 50.393 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | ILE | 0 | -0.044 | -0.024 | 49.763 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | ILE | 0 | -0.036 | -0.010 | 46.016 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | ILE | 0 | -0.018 | -0.014 | 49.649 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | ALA | 0 | 0.048 | 0.033 | 52.567 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | GLY | 0 | -0.008 | -0.009 | 51.024 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | LEU | 0 | -0.012 | -0.008 | 47.812 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | GLU | -1 | -0.922 | -0.926 | 51.830 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | GLY | 0 | -0.016 | -0.012 | 55.190 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | THR | 0 | -0.077 | -0.062 | 50.317 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | GLY | 0 | 0.007 | 0.005 | 52.674 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | SER | 0 | -0.028 | -0.020 | 49.036 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | PRO | 0 | -0.003 | 0.005 | 50.073 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | LEU | 0 | -0.045 | -0.007 | 46.356 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | SER | 0 | 0.020 | 0.006 | 51.010 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | ASP | -1 | -0.758 | -0.903 | 52.220 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | ARG | 1 | 0.979 | 0.991 | 52.954 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | ASP | -1 | -0.805 | -0.884 | 49.702 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | LEU | 0 | 0.033 | 0.016 | 47.211 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | ARG | 1 | 0.848 | 0.928 | 48.721 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | VAL | 0 | -0.120 | -0.066 | 50.083 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | TYR | 0 | -0.071 | -0.006 | 40.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | ARG | 1 | 0.940 | 0.966 | 44.833 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | PRO | 0 | -0.005 | 0.029 | 39.563 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | LEU | 0 | -0.009 | -0.014 | 40.039 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | ILE | 0 | -0.006 | -0.002 | 38.525 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | GLY | 0 | 0.007 | 0.000 | 37.631 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | LYS | 1 | 0.820 | 0.916 | 35.118 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | PRO | 0 | 0.046 | 0.038 | 30.677 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | VAL | 0 | -0.024 | 0.000 | 31.306 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | PHE | 0 | -0.019 | -0.031 | 29.425 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | THR | 0 | -0.005 | -0.009 | 27.768 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | ASP | -1 | -0.817 | -0.860 | 27.769 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | LEU | 0 | 0.024 | 0.013 | 22.500 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | ASP | -1 | -0.769 | -0.848 | 23.588 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | GLU | -1 | -0.822 | -0.863 | 21.664 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | PHE | 0 | 0.015 | -0.009 | 18.039 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | ARG | 1 | 0.817 | 0.891 | 23.831 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | ILE | 0 | -0.027 | -0.012 | 22.695 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | TYR | 0 | -0.050 | -0.072 | 25.173 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | GLU | -1 | -0.787 | -0.908 | 25.041 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | THR | 0 | 0.000 | 0.002 | 28.527 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | SER | 0 | -0.020 | -0.022 | 31.226 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | PRO | 0 | -0.124 | -0.072 | 34.571 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | ASN | 0 | 0.020 | 0.025 | 36.835 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | SER | 0 | -0.010 | -0.038 | 31.436 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | GLN | 0 | 0.033 | 0.010 | 29.429 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | GLY | 0 | 0.102 | 0.052 | 28.848 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | ILE | 0 | 0.004 | -0.002 | 28.967 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | THR | 0 | -0.057 | -0.044 | 29.280 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | VAL | 0 | 0.021 | 0.011 | 24.034 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | ILE | 0 | -0.011 | 0.002 | 26.724 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | GLU | -1 | -0.859 | -0.925 | 28.735 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | TRP | 0 | 0.038 | 0.023 | 23.486 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | ILE | 0 | -0.003 | 0.005 | 23.821 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | ARG | 1 | 0.901 | 0.943 | 26.292 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | GLY | 0 | 0.010 | 0.017 | 29.513 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | MET | 0 | -0.038 | -0.016 | 22.250 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | GLU | -1 | -0.872 | -0.936 | 26.685 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | SER | 0 | -0.129 | -0.065 | 27.954 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | HIS | 1 | 0.758 | 0.854 | 27.939 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | GLY | 0 | -0.033 | -0.010 | 28.338 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | TYR | 0 | -0.071 | -0.046 | 22.737 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | ASP | -1 | -0.748 | -0.867 | 22.314 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | SER | 0 | -0.079 | -0.077 | 19.801 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | ARG | 1 | 0.751 | 0.843 | 17.975 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | THR | 0 | -0.015 | -0.045 | 17.779 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | MET | 0 | -0.026 | -0.011 | 19.291 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | TRP | 0 | -0.024 | 0.005 | 12.196 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | GLU | -1 | -0.981 | -0.984 | 15.538 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | ALA | 0 | 0.009 | 0.012 | 17.202 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | LYS | 1 | 0.821 | 0.903 | 20.376 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | ILE | 0 | 0.041 | 0.007 | 20.299 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | GLU | -1 | -0.781 | -0.899 | 22.817 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | ASP | -1 | -0.783 | -0.865 | 25.241 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | ILE | 0 | -0.017 | 0.000 | 20.105 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | PHE | 0 | 0.014 | -0.018 | 22.901 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | GLU | -1 | -0.898 | -0.921 | 26.850 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | THR | 0 | 0.016 | -0.010 | 26.937 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | MET | 0 | -0.089 | 0.008 | 25.976 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | GLU | -1 | -0.792 | -0.909 | 28.163 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | GLU | -1 | -0.915 | -0.946 | 31.519 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | ALA | 0 | -0.061 | -0.029 | 29.803 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | TYR | 0 | -0.031 | -0.063 | 27.699 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | ASP | -1 | -0.912 | -0.940 | 32.604 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | LYS | 1 | 0.842 | 0.911 | 34.754 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | ARG | 1 | 0.808 | 0.888 | 31.647 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | ARG | 1 | 0.832 | 0.913 | 35.386 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | LYS | 1 | 0.903 | 0.952 | 38.628 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | ILE | 0 | -0.040 | 0.000 | 34.655 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | THR | 0 | 0.003 | -0.041 | 38.811 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | ASP | -1 | -0.789 | -0.866 | 40.621 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | PRO | 0 | 0.082 | 0.026 | 40.657 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 303 | SER | 0 | -0.092 | -0.072 | 42.645 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 304 | TYR | 0 | -0.024 | -0.037 | 45.507 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 305 | MET | 0 | -0.060 | 0.005 | 39.351 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 306 | ASN | 0 | -0.046 | 0.001 | 44.941 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 319 | GLY | 0 | -0.014 | -0.018 | 43.370 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 320 | LEU | 0 | -0.024 | -0.001 | 40.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 321 | PRO | 0 | 0.011 | 0.012 | 41.140 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 322 | LYS | 1 | 0.921 | 0.960 | 34.945 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 323 | ARG | 1 | 0.798 | 0.920 | 32.501 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 324 | ASP | -1 | -0.935 | -0.977 | 34.461 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 325 | HIS | 0 | 0.022 | 0.014 | 32.254 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 326 | ASN | 0 | 0.018 | -0.014 | 25.967 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 327 | ASP | -1 | -0.741 | -0.876 | 27.100 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 328 | ILE | 0 | -0.062 | -0.011 | 29.089 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 329 | GLY | 0 | 0.038 | -0.017 | 30.211 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 330 | ASP | -1 | -0.913 | -0.927 | 28.069 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 331 | THR | 0 | -0.084 | -0.031 | 26.842 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 332 | THR | 0 | 0.016 | -0.005 | 25.165 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 333 | TYR | 0 | 0.016 | -0.001 | 20.531 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 334 | PHE | 0 | -0.022 | -0.018 | 22.334 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 335 | SER | 0 | -0.013 | 0.015 | 20.050 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 336 | ILE | 0 | -0.013 | -0.017 | 21.508 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 337 | SER | 0 | 0.028 | 0.022 | 20.228 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 338 | ASP | -1 | -0.812 | -0.932 | 21.889 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 339 | SER | 0 | -0.007 | -0.021 | 21.827 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 340 | GLU | -1 | -0.879 | -0.900 | 22.882 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 341 | GLY | 0 | 0.033 | 0.022 | 24.171 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 342 | ARG | 1 | 0.663 | 0.798 | 25.181 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 343 | SER | 0 | -0.001 | -0.049 | 22.696 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 344 | VAL | 0 | -0.020 | -0.003 | 24.754 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 345 | SER | 0 | -0.016 | 0.010 | 23.842 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 346 | ILE | 0 | 0.009 | -0.012 | 25.197 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 347 | ILE | 0 | 0.028 | 0.027 | 25.979 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 348 | GLN | 0 | 0.033 | 0.020 | 28.143 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 349 | SER | 0 | -0.001 | -0.023 | 29.945 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 350 | ASN | 0 | -0.026 | -0.020 | 32.267 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 351 | TYR | 0 | -0.052 | -0.018 | 33.099 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 352 | MET | 0 | 0.008 | 0.028 | 32.474 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 353 | GLY | 0 | 0.051 | 0.028 | 31.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 354 | PHE | 0 | 0.034 | 0.004 | 32.736 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 355 | GLY | 0 | -0.010 | 0.017 | 35.371 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 356 | SER | 0 | -0.074 | -0.055 | 37.725 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 357 | GLY | 0 | 0.072 | 0.017 | 40.882 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 358 | ILE | 0 | -0.077 | -0.034 | 41.981 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 359 | VAL | 0 | 0.007 | 0.008 | 42.314 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 360 | PRO | 0 | -0.041 | 0.010 | 44.814 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 361 | LYS | 1 | 0.824 | 0.899 | 47.276 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 362 | GLY | 0 | 0.054 | 0.030 | 48.342 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 363 | THR | 0 | -0.001 | -0.006 | 44.933 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 364 | GLY | 0 | 0.018 | 0.012 | 42.494 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 365 | PHE | 0 | -0.002 | -0.003 | 39.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 366 | VAL | 0 | -0.016 | -0.002 | 38.771 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 367 | LEU | 0 | -0.001 | 0.009 | 39.823 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 368 | GLN | 0 | 0.032 | 0.024 | 38.127 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 369 | ASN | 0 | -0.005 | -0.038 | 37.590 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 370 | ARG | 1 | 0.961 | 0.988 | 32.703 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 371 | GLY | 0 | 0.033 | 0.015 | 38.948 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 372 | SER | 0 | -0.034 | -0.027 | 39.956 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 373 | TYR | 0 | -0.054 | -0.038 | 34.806 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 374 | PHE | 0 | -0.018 | 0.016 | 40.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 375 | THR | 0 | 0.019 | 0.027 | 43.515 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 376 | LEU | 0 | -0.002 | -0.014 | 45.533 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 377 | GLN | 0 | -0.040 | -0.014 | 47.525 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 378 | ARG | 1 | 0.939 | 0.940 | 49.354 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 379 | ASP | -1 | -0.882 | -0.928 | 50.665 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 380 | HIS | 0 | 0.081 | 0.055 | 42.028 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 381 | PRO | 0 | 0.049 | 0.012 | 43.508 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 382 | ASN | 0 | -0.001 | 0.017 | 41.257 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 383 | ALA | 0 | -0.002 | 0.017 | 44.089 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 384 | LEU | 0 | 0.016 | 0.010 | 47.041 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 385 | MET | 0 | -0.030 | -0.027 | 48.213 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 386 | PRO | 0 | 0.031 | 0.021 | 49.513 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 387 | GLY | 0 | -0.082 | -0.058 | 49.510 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 388 | LYS | 1 | 0.772 | 0.917 | 45.128 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 389 | ARG | 1 | 0.877 | 0.931 | 41.145 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 390 | THR | 0 | 0.022 | 0.008 | 39.480 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 391 | PHE | 0 | -0.027 | -0.011 | 33.471 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 392 | HIS | 0 | -0.055 | -0.058 | 34.594 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 393 | THR | 0 | 0.004 | 0.003 | 30.752 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 394 | LEU | 0 | -0.036 | 0.004 | 29.596 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 395 | ALA | 0 | 0.015 | 0.046 | 27.447 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 396 | ALA | 0 | -0.014 | 0.003 | 25.695 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 397 | CYS | 0 | -0.015 | -0.001 | 22.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 398 | MET | 0 | -0.044 | -0.011 | 22.638 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 399 | VAL | 0 | 0.009 | 0.001 | 20.059 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 400 | GLU | -1 | -0.745 | -0.831 | 21.842 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 401 | LYS | 1 | 0.791 | 0.875 | 18.504 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 402 | GLU | -1 | -0.871 | -0.940 | 22.567 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 403 | HIS | 0 | -0.054 | -0.032 | 25.610 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 404 | ASP | -1 | -0.858 | -0.900 | 23.723 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 405 | LEU | 0 | -0.078 | -0.035 | 21.076 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 406 | TYR | 0 | -0.020 | -0.024 | 14.821 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 407 | ALA | 0 | 0.002 | -0.030 | 16.895 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 408 | SER | 0 | 0.010 | 0.034 | 18.588 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 409 | LEU | 0 | 0.006 | -0.010 | 17.494 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 410 | GLY | 0 | 0.091 | 0.028 | 20.064 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 411 | SER | 0 | -0.018 | -0.023 | 20.389 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 412 | MET | 0 | -0.019 | 0.022 | 22.095 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 413 | GLY | 0 | 0.063 | 0.025 | 23.461 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 414 | GLY | 0 | -0.018 | -0.020 | 26.010 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 415 | ASP | -1 | -0.766 | -0.881 | 29.013 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 416 | ILE | 0 | 0.015 | 0.028 | 23.353 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 417 | GLN | 0 | -0.023 | 0.001 | 24.359 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 418 | PRO | 0 | 0.036 | 0.008 | 23.622 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 419 | GLN | 0 | 0.040 | -0.013 | 23.133 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 420 | VAL | 0 | -0.017 | 0.005 | 18.561 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 421 | GLN | 0 | -0.045 | -0.031 | 18.765 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 422 | MET | 0 | 0.018 | 0.024 | 19.293 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 423 | GLN | 0 | -0.035 | -0.030 | 16.454 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 424 | ILE | 0 | -0.021 | -0.008 | 14.455 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 425 | LEU | 0 | 0.003 | -0.004 | 14.996 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 426 | MET | 0 | -0.004 | -0.010 | 17.050 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 427 | GLU | -1 | -0.777 | -0.870 | 11.181 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 428 | ILE | 0 | -0.036 | -0.009 | 12.014 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 429 | LEU | 0 | -0.024 | -0.007 | 13.938 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 430 | LYS | 1 | 0.794 | 0.916 | 9.836 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 431 | ASP | -1 | -0.853 | -0.915 | 7.950 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 432 | ASN | 0 | -0.013 | -0.001 | 10.872 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 433 | THR | 0 | -0.079 | -0.074 | 8.076 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 434 | ASP | -1 | -0.774 | -0.842 | 3.569 | 1.018 | 1.544 | 0.014 | -0.212 | -0.328 | -0.001 |
423 | A | 435 | PRO | 0 | 0.047 | 0.017 | 6.958 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 436 | GLN | 0 | -0.022 | -0.042 | 8.097 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 437 | ALA | 0 | -0.004 | 0.006 | 4.577 | -0.245 | -0.172 | -0.001 | -0.008 | -0.063 | 0.000 |
426 | A | 438 | ILE | 0 | -0.019 | -0.007 | 6.555 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 439 | LEU | 0 | -0.055 | -0.009 | 9.645 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 440 | ASP | -1 | -0.732 | -0.846 | 7.605 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 441 | LYS | 1 | 0.842 | 0.926 | 9.028 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 442 | PRO | 0 | -0.030 | -0.013 | 10.023 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 443 | ARG | 1 | 0.806 | 0.888 | 13.250 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 444 | TRP | 0 | -0.011 | -0.020 | 16.691 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 445 | THR | 0 | 0.015 | 0.011 | 20.142 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 446 | GLU | -1 | -0.814 | -0.921 | 23.542 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 447 | PRO | 0 | -0.019 | 0.011 | 26.830 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 448 | TYR | 0 | 0.019 | -0.009 | 29.300 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 449 | THR | 0 | -0.019 | -0.022 | 32.843 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 450 | ILE | 0 | -0.030 | -0.005 | 35.252 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 451 | TYR | 0 | -0.064 | -0.062 | 37.320 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 452 | GLU | -1 | -0.803 | -0.866 | 36.076 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 453 | ALA | 0 | -0.020 | -0.009 | 36.944 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 454 | PRO | 0 | 0.041 | 0.024 | 31.828 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 455 | GLY | 0 | 0.006 | -0.001 | 32.104 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 456 | ALA | 0 | -0.097 | -0.048 | 28.980 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 457 | VAL | 0 | 0.030 | 0.014 | 24.951 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 458 | TYR | 0 | -0.032 | -0.024 | 23.520 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 459 | VAL | 0 | 0.014 | -0.002 | 18.868 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 460 | GLU | -1 | -0.646 | -0.786 | 15.682 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 461 | SER | 0 | 0.032 | 0.010 | 13.609 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 462 | GLU | -1 | -0.848 | -0.927 | 15.506 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 463 | GLU | -1 | -0.991 | -0.991 | 12.527 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 464 | LEU | 0 | 0.047 | 0.026 | 15.458 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 465 | TYR | 0 | 0.014 | 0.013 | 17.738 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 466 | ARG | 1 | 0.876 | 0.923 | 16.327 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 467 | ASN | 0 | -0.002 | -0.009 | 16.883 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 468 | VAL | 0 | 0.046 | 0.016 | 20.930 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 469 | SER | 0 | -0.035 | -0.025 | 23.205 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 470 | LYS | 1 | 0.842 | 0.935 | 24.465 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 471 | GLN | 0 | -0.085 | -0.052 | 23.719 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 472 | ILE | 0 | 0.019 | 0.031 | 25.153 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 473 | SER | 0 | -0.009 | 0.004 | 27.912 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 474 | GLY | 0 | -0.017 | -0.015 | 31.386 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 475 | ARG | 1 | 0.809 | 0.891 | 29.156 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 476 | LYS | 1 | 0.891 | 0.958 | 28.196 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 477 | VAL | 0 | 0.072 | 0.040 | 23.509 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 478 | VAL | 0 | -0.082 | -0.052 | 25.154 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 479 | LEU | 0 | 0.000 | 0.010 | 18.124 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 480 | ARG | 1 | 0.740 | 0.840 | 20.489 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 481 | ASP | -1 | -0.884 | -0.938 | 18.354 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 482 | VAL | 0 | -0.031 | -0.018 | 13.524 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 483 | SER | 0 | 0.005 | 0.002 | 16.972 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 484 | GLN | 0 | 0.091 | 0.039 | 19.588 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 485 | GLU | -1 | -0.840 | -0.859 | 21.470 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 486 | PHE | 0 | -0.044 | -0.028 | 18.830 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 487 | GLY | 0 | 0.028 | 0.014 | 19.517 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 488 | THR | 0 | -0.057 | -0.063 | 18.973 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 489 | ALA | 0 | -0.038 | -0.010 | 17.096 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 490 | GLN | 0 | -0.019 | -0.019 | 17.122 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 491 | ILE | 0 | -0.014 | -0.009 | 13.946 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 492 | THR | 0 | -0.029 | -0.007 | 15.925 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 493 | THR | 0 | -0.032 | -0.021 | 12.931 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 494 | LEU | 0 | 0.030 | 0.032 | 16.037 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 495 | ILE | 0 | -0.005 | 0.006 | 11.747 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 496 | ARG | 1 | 0.941 | 0.949 | 12.976 | -0.421 | -0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 497 | GLY | 0 | -0.026 | -0.027 | 16.770 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 498 | ASP | -1 | -0.863 | -0.909 | 19.373 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 499 | VAL | 0 | -0.085 | -0.041 | 14.991 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 500 | VAL | 0 | 0.001 | 0.011 | 16.436 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 501 | VAL | 0 | -0.025 | -0.023 | 10.605 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 502 | GLY | 0 | 0.016 | 0.005 | 13.825 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 503 | ALA | 0 | -0.025 | -0.004 | 11.643 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 504 | ALA | 0 | 0.014 | -0.013 | 13.576 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 505 | ASP | -1 | -0.673 | -0.802 | 13.942 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 506 | PRO | 0 | -0.073 | -0.037 | 11.652 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 507 | ARG | 1 | 0.693 | 0.823 | 13.181 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 508 | GLY | 0 | 0.012 | 0.000 | 17.508 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 509 | ASP | -1 | -0.838 | -0.879 | 18.671 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 510 | GLY | 0 | 0.002 | 0.006 | 19.247 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 511 | ILE | 0 | -0.013 | -0.004 | 16.807 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 512 | ALA | 0 | -0.018 | 0.012 | 15.317 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 513 | ILE | 0 | -0.005 | -0.014 | 17.062 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 514 | PRO | 0 | 0.008 | 0.017 | 17.418 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 515 | TYR | 0 | -0.010 | -0.012 | 19.480 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 516 | SER | 0 | 0.026 | 0.026 | 22.017 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |