![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 72KNK
Calculation Name: 5AZS-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5AZS
Chain ID: A
UniProt ID: Q51397
Base Structure: X-ray
Registration Date: 2023-06-22
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 430 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -5958122.391704 |
---|---|
FMO2-HF: Nuclear repulsion | 5795204.129705 |
FMO2-HF: Total energy | -162918.261999 |
FMO2-MP2: Total energy | -163401.983197 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F027339/ligand_interaction/ligand_F027339.png)
Ligand Interaction
![ligand interaction](./Kdata/F027339/ligand_interaction/ligand_interaction_F027339.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:CYS)
Summations of interaction energy for
fragment #1(A:1:CYS)
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. |
-13.721 | -7.123 | 1.885 | -3.512 | -4.971 | -0.019 |
Interaction energy analysis for fragmet #1(A:1:CYS)
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 | MET | 0 | 0.020 | 0.023 | 3.832 | 0.197 | 2.602 | 0.018 | -1.030 | -1.393 | 0.000 |
4 | A | 4 | ALA | 0 | 0.003 | -0.006 | 5.969 | -0.273 | -0.210 | -0.001 | -0.004 | -0.059 | 0.000 |
5 | A | 5 | PRO | 0 | -0.033 | -0.009 | 8.814 | 0.293 | 0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | THR | 0 | 0.017 | 0.011 | 10.775 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | TYR | 0 | -0.034 | -0.027 | 12.555 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | GLU | -1 | -0.919 | -0.948 | 15.709 | 0.362 | 0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | ARG | 1 | 0.797 | 0.899 | 18.914 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | PRO | 0 | 0.021 | 0.011 | 22.214 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | ALA | 0 | 0.026 | 0.008 | 24.675 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | ALA | 0 | 0.007 | -0.003 | 27.784 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | PRO | 0 | 0.024 | 0.021 | 30.494 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | VAL | 0 | -0.068 | -0.022 | 32.805 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | ALA | 0 | 0.013 | 0.005 | 35.692 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | ASP | -1 | -0.871 | -0.944 | 36.068 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | SER | 0 | -0.059 | -0.036 | 38.160 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | TRP | 0 | -0.022 | 0.004 | 38.789 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | SER | 0 | -0.019 | -0.005 | 43.872 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 33 | LEU | 0 | 0.012 | -0.005 | 39.339 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 34 | ASP | -1 | -0.842 | -0.930 | 41.178 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 35 | TRP | 0 | 0.046 | 0.017 | 41.925 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 36 | LYS | 1 | 0.901 | 0.962 | 44.600 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 37 | SER | 0 | -0.033 | -0.008 | 45.854 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 38 | PHE | 0 | -0.007 | 0.007 | 46.342 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 39 | ILE | 0 | 0.016 | -0.011 | 47.795 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 40 | VAL | 0 | 0.004 | -0.002 | 50.440 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 41 | ASP | -1 | -0.897 | -0.939 | 53.500 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 42 | ALA | 0 | 0.017 | -0.003 | 54.119 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 43 | GLU | -1 | -0.907 | -0.962 | 54.848 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 44 | LEU | 0 | -0.012 | 0.000 | 51.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 45 | ARG | 1 | 0.911 | 0.938 | 49.765 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 46 | ARG | 1 | 0.940 | 0.988 | 50.193 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 47 | LEU | 0 | -0.041 | -0.032 | 51.556 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 48 | VAL | 0 | 0.000 | 0.000 | 46.310 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 49 | ASP | -1 | -0.868 | -0.946 | 46.776 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 50 | MET | 0 | -0.002 | 0.019 | 47.223 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 51 | ALA | 0 | 0.033 | 0.012 | 47.368 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 52 | LEU | 0 | -0.112 | -0.062 | 41.632 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 53 | ASP | -1 | -0.934 | -0.937 | 42.893 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 54 | ASN | 0 | -0.057 | -0.042 | 44.443 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 55 | ASN | 0 | 0.009 | 0.004 | 43.501 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 56 | ARG | 1 | 0.942 | 0.954 | 43.216 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 57 | SER | 0 | 0.025 | 0.022 | 41.572 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 58 | LEU | 0 | 0.056 | 0.022 | 37.964 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 59 | ARG | 1 | 0.957 | 0.977 | 38.185 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 60 | GLN | 0 | -0.022 | -0.017 | 37.754 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 61 | THR | 0 | 0.044 | 0.034 | 34.003 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 62 | LEU | 0 | -0.032 | -0.022 | 33.553 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 63 | LEU | 0 | -0.022 | -0.016 | 33.301 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 64 | ASP | -1 | -0.900 | -0.941 | 31.328 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 65 | ILE | 0 | -0.024 | -0.017 | 28.702 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 66 | GLU | -1 | -0.922 | -0.959 | 27.922 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 67 | ALA | 0 | -0.035 | -0.008 | 28.398 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 68 | ALA | 0 | 0.015 | -0.001 | 25.211 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 69 | ARG | 1 | 0.920 | 0.968 | 23.689 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 70 | ALA | 0 | -0.052 | -0.036 | 23.371 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 71 | GLN | 0 | 0.040 | 0.029 | 22.612 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 72 | TYR | 0 | 0.011 | 0.015 | 15.950 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 73 | ARG | 1 | 0.869 | 0.927 | 18.745 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 74 | ILE | 0 | 0.009 | 0.011 | 20.304 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 75 | GLN | 0 | 0.038 | 0.008 | 15.144 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 76 | ARG | 1 | 0.945 | 0.966 | 15.203 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 77 | ALA | 0 | -0.071 | -0.038 | 15.561 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 78 | ASP | -1 | -0.858 | -0.913 | 14.304 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 79 | ARG | 1 | 0.878 | 0.939 | 7.849 | -0.392 | -0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 80 | VAL | 0 | -0.064 | -0.017 | 12.261 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 81 | PRO | 0 | 0.017 | 0.017 | 14.251 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 82 | GLY | 0 | 0.022 | 0.009 | 16.832 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 83 | LEU | 0 | -0.033 | -0.029 | 20.585 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 84 | ASN | 0 | 0.004 | -0.008 | 23.800 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 85 | ALA | 0 | -0.006 | -0.003 | 26.916 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 86 | ALA | 0 | -0.009 | 0.005 | 30.178 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 87 | ALA | 0 | 0.017 | -0.002 | 31.934 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 88 | THR | 0 | -0.026 | -0.021 | 32.384 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 89 | GLY | 0 | -0.009 | 0.010 | 35.655 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 90 | ASN | 0 | -0.002 | 0.009 | 36.858 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 91 | ARG | 1 | 0.973 | 0.979 | 39.628 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 92 | GLN | 0 | -0.042 | -0.027 | 39.464 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 93 | ARG | 1 | 0.927 | 0.970 | 44.513 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 94 | GLN | 0 | 0.032 | 0.026 | 43.197 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 95 | PRO | 0 | -0.008 | -0.017 | 46.326 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 96 | ALA | 0 | -0.032 | -0.033 | 48.652 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 97 | ASP | -1 | -0.956 | -0.979 | 49.416 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 98 | LEU | 0 | 0.006 | 0.012 | 43.756 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 99 | SER | 0 | -0.018 | 0.001 | 45.294 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 100 | ALA | 0 | 0.043 | 0.018 | 45.421 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 101 | GLY | 0 | 0.008 | 0.013 | 47.262 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 102 | ASN | 0 | 0.002 | 0.007 | 49.961 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 103 | ARG | 1 | 0.877 | 0.911 | 51.832 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 104 | SER | 0 | 0.003 | 0.007 | 50.973 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 105 | GLU | -1 | -0.866 | -0.905 | 46.694 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 106 | VAL | 0 | -0.068 | -0.053 | 48.037 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 107 | ALA | 0 | 0.061 | 0.048 | 43.607 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 108 | SER | 0 | 0.004 | -0.024 | 43.271 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 109 | SER | 0 | -0.016 | 0.006 | 38.565 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 110 | TYR | 0 | 0.000 | 0.002 | 38.882 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 111 | GLN | 0 | 0.023 | 0.013 | 32.014 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 112 | VAL | 0 | 0.013 | 0.012 | 34.708 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 113 | GLY | 0 | 0.037 | 0.017 | 32.341 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 114 | LEU | 0 | -0.011 | -0.006 | 27.157 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 115 | ALA | 0 | 0.016 | 0.005 | 25.851 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 116 | LEU | 0 | -0.028 | -0.001 | 18.000 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 117 | PRO | 0 | -0.028 | -0.016 | 20.575 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 118 | GLU | -1 | -0.946 | -0.980 | 17.153 | -0.524 | -0.524 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 119 | TYR | 0 | 0.016 | 0.019 | 11.441 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 120 | GLU | -1 | -0.799 | -0.891 | 10.171 | -1.186 | -1.186 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 121 | LEU | 0 | 0.004 | -0.002 | 8.776 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 122 | ASP | -1 | -0.828 | -0.937 | 5.917 | -1.666 | -1.666 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 123 | LEU | 0 | -0.043 | -0.035 | 3.819 | -0.826 | -0.489 | 0.001 | -0.111 | -0.226 | 0.000 |
111 | A | 124 | PHE | 0 | 0.019 | -0.003 | 2.368 | -8.862 | -6.025 | 1.862 | -2.142 | -2.556 | -0.022 |
112 | A | 125 | GLY | 0 | -0.009 | 0.002 | 3.421 | 1.322 | 1.431 | -0.003 | 0.171 | -0.278 | 0.000 |
113 | A | 126 | ARG | 1 | 0.881 | 0.931 | 5.221 | 1.659 | 1.750 | -0.001 | -0.009 | -0.081 | 0.000 |
114 | A | 127 | VAL | 0 | 0.068 | 0.039 | 8.600 | 0.325 | 0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 128 | LYS | 1 | 0.883 | 0.962 | 3.515 | -4.184 | -3.428 | 0.009 | -0.387 | -0.378 | 0.003 |
116 | A | 129 | SER | 0 | -0.028 | -0.018 | 8.674 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 130 | LEU | 0 | 0.033 | 0.008 | 10.322 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 131 | THR | 0 | -0.033 | -0.028 | 12.408 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 132 | ASP | -1 | -0.922 | -0.965 | 11.314 | 0.536 | 0.536 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 133 | ALA | 0 | -0.016 | -0.014 | 13.815 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 134 | ALA | 0 | -0.001 | -0.008 | 16.283 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 135 | LEU | 0 | -0.001 | 0.009 | 16.434 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 136 | GLN | 0 | 0.006 | 0.005 | 16.852 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 137 | GLN | 0 | -0.003 | -0.004 | 19.564 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 138 | TYR | 0 | 0.004 | 0.020 | 21.801 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 139 | LEU | 0 | 0.014 | 0.008 | 20.362 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 140 | ALA | 0 | -0.006 | -0.008 | 23.607 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 141 | SER | 0 | -0.056 | -0.038 | 25.510 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 142 | GLU | -1 | -0.879 | -0.956 | 26.551 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 143 | GLU | -1 | -0.883 | -0.936 | 26.862 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 144 | ALA | 0 | -0.008 | -0.009 | 29.583 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 145 | ALA | 0 | 0.025 | 0.011 | 31.655 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 146 | ARG | 1 | 0.881 | 0.946 | 30.500 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 147 | ALA | 0 | 0.020 | 0.008 | 33.731 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 148 | ALA | 0 | 0.016 | 0.017 | 35.519 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 149 | ARG | 1 | 0.964 | 0.978 | 37.213 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 150 | ILE | 0 | -0.032 | -0.010 | 36.661 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 151 | ALA | 0 | -0.010 | -0.007 | 39.679 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 152 | LEU | 0 | 0.007 | 0.017 | 41.577 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 153 | VAL | 0 | -0.003 | -0.005 | 42.994 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 154 | ALA | 0 | 0.007 | -0.002 | 44.378 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 155 | GLU | -1 | -0.920 | -0.953 | 45.245 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 156 | VAL | 0 | -0.026 | -0.019 | 47.581 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 157 | SER | 0 | -0.032 | -0.019 | 48.661 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 158 | GLN | 0 | 0.018 | 0.001 | 47.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 159 | ALA | 0 | 0.030 | 0.025 | 51.811 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 160 | TYR | 0 | 0.014 | -0.004 | 53.592 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 161 | LEU | 0 | -0.032 | -0.015 | 53.075 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 162 | SER | 0 | 0.045 | 0.021 | 56.101 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 163 | TYR | 0 | -0.071 | -0.031 | 57.765 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 164 | ASP | -1 | -0.893 | -0.955 | 59.343 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 165 | GLY | 0 | 0.026 | 0.003 | 60.442 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 166 | ALA | 0 | -0.038 | -0.016 | 62.020 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 167 | LEU | 0 | -0.007 | -0.009 | 63.474 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 168 | ARG | 1 | 0.931 | 0.982 | 62.305 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 169 | ARG | 1 | 0.925 | 0.977 | 61.987 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 170 | LEU | 0 | 0.002 | 0.002 | 68.082 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 171 | ALA | 0 | -0.025 | -0.012 | 69.829 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 172 | LEU | 0 | 0.020 | 0.026 | 70.925 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 173 | THR | 0 | 0.039 | 0.018 | 71.482 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 174 | ARG | 1 | 0.926 | 0.968 | 72.487 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 175 | GLN | 0 | 0.013 | 0.009 | 75.757 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 176 | THR | 0 | -0.036 | -0.016 | 75.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 177 | LEU | 0 | -0.019 | -0.009 | 78.120 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 178 | VAL | 0 | 0.036 | 0.026 | 79.882 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 179 | SER | 0 | -0.068 | -0.051 | 81.073 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 180 | ARG | 1 | 0.873 | 0.937 | 78.004 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 181 | GLU | -1 | -0.908 | -0.955 | 83.021 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 182 | TYR | 0 | -0.016 | -0.004 | 85.722 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 183 | SER | 0 | -0.028 | -0.031 | 86.793 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 184 | PHE | 0 | -0.010 | -0.001 | 87.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 185 | ALA | 0 | 0.016 | 0.010 | 89.399 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 186 | LEU | 0 | -0.027 | -0.011 | 91.499 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 187 | ILE | 0 | -0.032 | -0.013 | 91.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 188 | ASP | -1 | -0.914 | -0.960 | 93.415 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 189 | GLN | 0 | 0.039 | 0.005 | 95.082 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 190 | ARG | 1 | 0.991 | 1.005 | 95.900 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 191 | ARG | 1 | 0.926 | 0.992 | 97.550 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 192 | ALA | 0 | -0.014 | -0.017 | 99.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 193 | ALA | 0 | -0.042 | -0.001 | 101.451 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 194 | GLY | 0 | -0.023 | -0.023 | 102.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 195 | ALA | 0 | -0.042 | -0.017 | 101.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 196 | ALA | 0 | -0.038 | -0.012 | 96.676 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 197 | THR | 0 | 0.012 | 0.007 | 95.884 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 198 | ALA | 0 | 0.019 | -0.005 | 95.934 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 199 | LEU | 0 | 0.007 | -0.002 | 90.456 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 200 | ASP | -1 | -0.777 | -0.907 | 91.180 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 201 | TYR | 0 | -0.013 | -0.003 | 90.728 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 202 | GLN | 0 | 0.012 | 0.001 | 89.267 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 203 | GLU | -1 | -0.879 | -0.936 | 86.801 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 204 | ALA | 0 | 0.014 | 0.007 | 85.813 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 205 | LEU | 0 | 0.010 | 0.017 | 85.862 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 206 | GLY | 0 | -0.003 | -0.013 | 83.418 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 207 | LEU | 0 | -0.024 | -0.019 | 80.837 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 208 | VAL | 0 | 0.004 | 0.003 | 80.742 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 209 | GLU | -1 | -0.900 | -0.958 | 80.595 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 210 | GLN | 0 | -0.052 | -0.019 | 77.336 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 211 | ALA | 0 | -0.002 | 0.009 | 76.025 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 212 | ARG | 1 | 0.989 | 1.000 | 75.866 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 213 | ALA | 0 | 0.019 | 0.006 | 74.506 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 214 | GLU | -1 | -0.865 | -0.941 | 69.499 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 215 | GLN | 0 | 0.051 | 0.023 | 70.916 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 216 | GLU | -1 | -0.922 | -0.957 | 70.934 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 217 | ARG | 1 | 0.834 | 0.921 | 66.727 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 218 | ASN | 0 | -0.010 | -0.017 | 66.600 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 219 | LEU | 0 | 0.017 | 0.003 | 66.394 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 220 | ARG | 1 | 0.922 | 0.980 | 63.925 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 221 | GLN | 0 | 0.008 | -0.006 | 62.235 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 222 | LYS | 1 | 1.004 | 1.010 | 61.414 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 223 | GLN | 0 | -0.034 | -0.014 | 61.744 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 224 | GLN | 0 | -0.004 | -0.017 | 59.197 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 225 | ALA | 0 | 0.029 | 0.027 | 57.316 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 226 | PHE | 0 | -0.022 | -0.013 | 56.955 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 227 | ASN | 0 | -0.008 | -0.016 | 57.584 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 228 | ALA | 0 | 0.010 | 0.011 | 53.435 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 229 | LEU | 0 | 0.021 | 0.014 | 52.651 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 230 | VAL | 0 | 0.002 | -0.003 | 52.982 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 231 | LEU | 0 | -0.058 | -0.022 | 49.763 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 232 | LEU | 0 | -0.006 | -0.004 | 47.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 233 | LEU | 0 | -0.033 | -0.026 | 48.313 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 234 | GLY | 0 | 0.016 | 0.019 | 49.067 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 235 | SER | 0 | -0.064 | -0.035 | 50.132 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 236 | ASP | -1 | -0.895 | -0.952 | 52.214 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 237 | ASP | -1 | -0.930 | -0.957 | 55.121 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 238 | ALA | 0 | 0.036 | 0.000 | 53.841 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 239 | ALA | 0 | -0.041 | -0.023 | 55.915 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 240 | GLN | 0 | -0.076 | -0.047 | 59.395 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 241 | ALA | 0 | -0.007 | 0.009 | 56.255 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 242 | ILE | 0 | 0.007 | 0.016 | 56.649 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 243 | PRO | 0 | 0.015 | 0.034 | 59.012 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 244 | ARG | 1 | 0.949 | 0.946 | 62.178 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 245 | SER | 0 | -0.012 | -0.011 | 65.043 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 246 | PRO | 0 | 0.033 | 0.044 | 61.967 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 247 | GLY | 0 | 0.064 | 0.019 | 61.987 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 248 | GLN | 0 | -0.021 | -0.035 | 61.769 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 249 | ARG | 1 | 0.932 | 0.974 | 61.070 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 250 | PRO | 0 | 0.024 | 0.001 | 58.189 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 251 | LYS | 1 | 0.909 | 0.975 | 54.827 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 252 | LEU | 0 | -0.031 | -0.014 | 50.130 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 253 | LEU | 0 | -0.018 | 0.011 | 48.878 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 254 | GLN | 0 | 0.013 | -0.019 | 51.645 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 255 | ASP | -1 | -0.952 | -0.972 | 51.521 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 256 | ILE | 0 | -0.019 | -0.005 | 45.053 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 257 | ALA | 0 | -0.004 | 0.006 | 45.078 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 258 | PRO | 0 | -0.010 | -0.001 | 43.256 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 259 | GLY | 0 | 0.050 | 0.027 | 40.365 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 260 | THR | 0 | -0.001 | -0.003 | 36.671 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 261 | PRO | 0 | 0.038 | 0.010 | 36.235 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 262 | SER | 0 | 0.019 | -0.012 | 32.542 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 263 | GLU | -1 | -0.899 | -0.944 | 32.191 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 264 | LEU | 0 | -0.029 | -0.007 | 33.548 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 265 | ILE | 0 | -0.042 | -0.018 | 28.868 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 266 | GLU | -1 | -0.903 | -0.955 | 27.662 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 267 | ARG | 1 | 0.894 | 0.975 | 29.987 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 268 | ARG | 1 | 0.791 | 0.884 | 32.916 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 269 | PRO | 0 | -0.018 | -0.015 | 31.195 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 270 | ASP | -1 | -0.822 | -0.919 | 30.375 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 271 | ILE | 0 | 0.007 | 0.021 | 28.360 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 272 | LEU | 0 | -0.005 | 0.016 | 26.641 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 273 | ALA | 0 | 0.015 | -0.003 | 25.636 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 274 | ALA | 0 | -0.036 | -0.017 | 25.890 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 275 | GLU | -1 | -0.825 | -0.917 | 22.570 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 276 | HIS | 0 | -0.052 | -0.028 | 21.173 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 277 | ARG | 1 | 0.948 | 0.964 | 20.698 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 278 | LEU | 0 | 0.023 | 0.018 | 19.972 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 279 | ARG | 1 | 0.919 | 0.973 | 16.971 | -0.332 | -0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 280 | ALA | 0 | -0.023 | -0.016 | 16.156 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 281 | ARG | 1 | 0.877 | 0.948 | 16.644 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 282 | ASN | 0 | 0.005 | 0.008 | 13.376 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 283 | ALA | 0 | -0.020 | -0.003 | 12.118 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 284 | ASP | -1 | -0.826 | -0.912 | 12.074 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 285 | ILE | 0 | -0.034 | -0.011 | 12.106 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 286 | GLY | 0 | 0.009 | -0.007 | 9.181 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 287 | ALA | 0 | -0.002 | 0.014 | 8.376 | -0.332 | -0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 288 | ALA | 0 | -0.027 | -0.018 | 10.714 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 289 | ARG | 1 | 0.915 | 0.952 | 8.456 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 290 | ALA | 0 | -0.003 | -0.005 | 6.520 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 291 | ALA | 0 | -0.043 | -0.009 | 7.772 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 292 | PHE | 0 | -0.007 | -0.003 | 10.621 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 293 | PHE | 0 | -0.056 | -0.015 | 6.255 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 294 | PRO | 0 | -0.014 | 0.004 | 8.300 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 295 | ARG | 1 | 0.920 | 0.961 | 9.069 | 0.458 | 0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 296 | ILE | 0 | 0.004 | -0.010 | 9.562 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 297 | SER | 0 | 0.010 | 0.009 | 11.764 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 298 | LEU | 0 | -0.038 | -0.016 | 14.297 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 299 | THR | 0 | 0.040 | 0.033 | 16.868 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 300 | GLY | 0 | -0.007 | -0.009 | 20.474 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 301 | SER | 0 | -0.015 | -0.002 | 22.984 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 302 | PHE | 0 | 0.013 | -0.007 | 26.658 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 303 | GLY | 0 | 0.009 | -0.001 | 28.756 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 304 | THR | 0 | -0.024 | 0.000 | 32.444 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 305 | SER | 0 | -0.008 | -0.016 | 34.796 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 306 | SER | 0 | -0.017 | -0.017 | 37.331 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 307 | ALA | 0 | 0.028 | 0.009 | 40.986 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 308 | GLU | -1 | -0.937 | -0.957 | 43.621 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 309 | MET | 0 | 0.000 | -0.009 | 44.509 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 310 | SER | 0 | -0.021 | -0.030 | 45.633 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 311 | GLY | 0 | 0.046 | 0.049 | 45.274 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 312 | LEU | 0 | -0.028 | -0.022 | 40.609 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 313 | PHE | 0 | -0.080 | -0.026 | 40.975 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 314 | ASP | -1 | -0.844 | -0.923 | 42.787 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 315 | GLY | 0 | -0.035 | -0.024 | 42.235 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 316 | GLY | 0 | -0.035 | -0.028 | 40.164 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 317 | SER | 0 | 0.047 | 0.037 | 39.619 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 318 | ARG | 1 | 0.931 | 0.959 | 32.450 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 319 | SER | 0 | 0.004 | 0.017 | 33.386 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 320 | TRP | 0 | -0.026 | -0.008 | 26.024 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 321 | SER | 0 | -0.003 | -0.003 | 27.082 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 322 | PHE | 0 | 0.019 | -0.003 | 18.541 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 323 | LEU | 0 | 0.016 | 0.010 | 21.458 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 324 | PRO | 0 | -0.005 | 0.012 | 17.058 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 325 | THR | 0 | 0.008 | -0.003 | 16.932 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 326 | LEU | 0 | 0.025 | 0.013 | 12.201 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 327 | THR | 0 | -0.036 | -0.025 | 14.082 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 328 | LEU | 0 | 0.045 | 0.013 | 11.897 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 329 | PRO | 0 | -0.002 | 0.010 | 13.562 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 330 | ILE | 0 | -0.006 | 0.012 | 15.695 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 331 | PHE | 0 | -0.003 | -0.011 | 18.328 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 332 | ASP | -1 | -0.839 | -0.922 | 18.905 | -0.463 | -0.463 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 333 | GLY | 0 | -0.021 | -0.020 | 21.750 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 334 | GLY | 0 | 0.002 | 0.006 | 21.612 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 335 | ARG | 1 | 0.944 | 0.970 | 19.842 | 0.359 | 0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 336 | ASN | 0 | 0.048 | 0.024 | 14.849 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 337 | ARG | 1 | 1.043 | 1.023 | 16.641 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 338 | ALA | 0 | 0.000 | 0.016 | 18.172 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 339 | ASN | 0 | 0.016 | -0.018 | 16.462 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 340 | LEU | 0 | -0.008 | 0.000 | 13.334 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 341 | SER | 0 | -0.001 | -0.012 | 16.635 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 342 | LEU | 0 | -0.032 | 0.000 | 20.156 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 343 | ALA | 0 | 0.004 | -0.017 | 16.439 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 344 | GLU | -1 | -0.935 | -0.966 | 18.110 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 345 | ALA | 0 | 0.041 | 0.040 | 19.223 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 346 | ARG | 1 | 0.924 | 0.958 | 20.209 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 347 | LYS | 1 | 0.974 | 0.998 | 17.751 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 348 | ASP | -1 | -0.861 | -0.943 | 20.716 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 349 | SER | 0 | -0.086 | -0.045 | 23.309 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 350 | ALA | 0 | 0.001 | -0.004 | 22.475 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 351 | VAL | 0 | 0.010 | 0.008 | 22.191 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 352 | ALA | 0 | 0.057 | 0.037 | 24.806 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 353 | ALA | 0 | -0.041 | -0.016 | 27.370 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 354 | TYR | 0 | 0.006 | 0.018 | 25.772 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 355 | GLU | -1 | -0.904 | -0.959 | 27.558 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 356 | GLY | 0 | -0.018 | -0.015 | 30.002 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 357 | THR | 0 | -0.066 | -0.068 | 30.727 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 358 | ILE | 0 | 0.020 | 0.006 | 29.078 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 359 | GLN | 0 | -0.026 | -0.019 | 32.987 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 360 | THR | 0 | -0.016 | 0.003 | 35.753 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 361 | ALA | 0 | 0.014 | 0.003 | 35.621 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 362 | PHE | 0 | -0.009 | -0.008 | 37.231 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 363 | ARG | 1 | 0.991 | 0.983 | 38.865 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 364 | GLU | -1 | -0.880 | -0.932 | 40.205 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 365 | VAL | 0 | 0.037 | 0.022 | 40.287 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 366 | ALA | 0 | -0.006 | 0.008 | 43.023 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 367 | ASP | -1 | -0.907 | -0.948 | 44.962 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 368 | ALA | 0 | -0.002 | 0.004 | 45.793 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 369 | LEU | 0 | -0.033 | -0.022 | 45.062 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 370 | ALA | 0 | 0.005 | 0.009 | 48.601 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 371 | ALA | 0 | 0.009 | 0.013 | 50.614 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 372 | SER | 0 | 0.031 | 0.004 | 50.574 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 373 | ASP | -1 | -0.958 | -0.985 | 52.644 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 374 | THR | 0 | -0.025 | -0.019 | 54.453 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 375 | LEU | 0 | 0.030 | 0.007 | 54.168 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 376 | ARG | 1 | 0.918 | 0.967 | 53.663 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 377 | ARG | 1 | 0.865 | 0.941 | 56.829 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 378 | GLU | -1 | -0.912 | -0.962 | 60.397 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 379 | GLU | -1 | -0.901 | -0.955 | 60.819 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 380 | LYS | 1 | 0.937 | 0.971 | 63.119 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 381 | ALA | 0 | -0.045 | -0.033 | 65.301 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 382 | LEU | 0 | 0.024 | 0.026 | 63.380 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 383 | ARG | 1 | 0.909 | 0.974 | 67.287 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 384 | ALA | 0 | -0.020 | -0.020 | 69.102 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 385 | LEU | 0 | 0.020 | 0.021 | 70.206 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 386 | ALA | 0 | 0.039 | 0.024 | 71.048 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 387 | ASN | 0 | -0.027 | -0.019 | 72.805 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 388 | SER | 0 | -0.036 | -0.016 | 75.043 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 389 | SER | 0 | 0.012 | 0.005 | 75.558 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 390 | ASN | 0 | -0.006 | -0.003 | 75.836 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 391 | GLU | -1 | -0.918 | -0.940 | 78.748 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 392 | ALA | 0 | -0.010 | -0.012 | 80.639 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 393 | LEU | 0 | -0.009 | 0.000 | 80.479 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 394 | LYS | 1 | 0.941 | 0.972 | 82.820 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 395 | LEU | 0 | 0.001 | -0.007 | 84.762 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 396 | ALA | 0 | -0.003 | -0.005 | 85.662 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 397 | LYS | 1 | 0.914 | 0.967 | 86.844 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 398 | ALA | 0 | 0.000 | 0.004 | 88.503 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 399 | ARG | 1 | 0.870 | 0.930 | 90.180 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 400 | TYR | 0 | -0.030 | -0.003 | 90.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 401 | GLU | -1 | -0.948 | -0.992 | 91.817 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 402 | SER | 0 | -0.111 | -0.042 | 94.229 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 403 | GLY | 0 | 0.026 | 0.021 | 95.973 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 404 | VAL | 0 | -0.098 | -0.034 | 95.102 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 405 | ASP | -1 | -0.818 | -0.911 | 91.670 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 406 | ASN | 0 | -0.010 | -0.018 | 91.082 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 407 | HIS | 0 | 0.025 | -0.009 | 87.938 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 408 | LEU | 0 | 0.002 | 0.017 | 85.686 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 409 | ARG | 1 | 0.999 | 0.998 | 86.078 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 410 | TYR | 0 | 0.035 | 0.016 | 85.215 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 411 | LEU | 0 | 0.002 | 0.002 | 83.901 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 412 | ASP | -1 | -0.964 | -0.999 | 81.117 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 413 | ALA | 0 | 0.064 | 0.031 | 80.446 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 414 | GLN | 0 | -0.021 | -0.015 | 80.081 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 415 | ARG | 1 | 0.898 | 0.956 | 77.798 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 416 | SER | 0 | 0.024 | 0.012 | 76.066 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 417 | SER | 0 | -0.047 | -0.020 | 75.210 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 418 | PHE | 0 | 0.004 | -0.002 | 73.763 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 419 | LEU | 0 | 0.014 | 0.008 | 70.102 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 420 | ASN | 0 | 0.007 | -0.017 | 70.509 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 421 | GLU | -1 | -0.849 | -0.924 | 70.016 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 422 | ILE | 0 | -0.023 | -0.016 | 67.535 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 423 | ALA | 0 | 0.007 | -0.013 | 66.228 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 424 | PHE | 0 | 0.062 | 0.027 | 65.179 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 425 | ILE | 0 | -0.046 | -0.022 | 64.399 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 426 | ASP | -1 | -0.947 | -0.979 | 61.322 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 427 | GLY | 0 | 0.101 | 0.041 | 60.662 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 428 | SER | 0 | -0.016 | -0.009 | 60.072 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 429 | THR | 0 | -0.121 | -0.068 | 57.620 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 430 | GLN | 0 | -0.008 | -0.020 | 56.308 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 431 | ARG | 1 | 0.972 | 1.015 | 55.185 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 432 | GLN | 0 | -0.048 | -0.040 | 54.300 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 433 | ILE | 0 | -0.012 | -0.001 | 52.315 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 434 | ALA | 0 | 0.062 | 0.040 | 50.557 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 435 | LEU | 0 | -0.018 | 0.003 | 49.609 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 436 | VAL | 0 | -0.050 | -0.027 | 47.102 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 437 | ASP | -1 | -0.885 | -0.941 | 46.175 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 438 | LEU | 0 | 0.002 | -0.003 | 44.767 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 439 | PHE | 0 | -0.026 | -0.014 | 43.055 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 440 | ARG | 1 | 0.946 | 0.967 | 40.643 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 441 | ALA | 0 | -0.026 | -0.008 | 40.150 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 442 | LEU | 0 | -0.010 | -0.001 | 39.253 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 443 | GLY | 0 | -0.019 | -0.013 | 37.368 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |