![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 8NN6Y
Calculation Name: 5HFN-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5HFN
Chain ID: A
UniProt ID: Q9WXT2
Base Structure: X-ray
Registration Date: 2023-09-27
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 | 284 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4242900.90076 |
---|---|
FMO2-HF: Nuclear repulsion | 4129049.812093 |
FMO2-HF: Total energy | -113851.088668 |
FMO2-MP2: Total energy | -114185.550658 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F040888/ligand_interaction/ligand_F040888.png)
Ligand Interaction
![ligand interaction](./Kdata/F040888/ligand_interaction/ligand_interaction_F040888.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:2:ALA)
Summations of interaction energy for
fragment #1(A:2:ALA)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-2.212 | -0.307 | 2.065 | -1.501 | -2.469 | -0.003 |
Interaction energy analysis for fragmet #1(A:2:ALA)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 4 | PHE | 0 | -0.002 | -0.003 | 3.616 | -1.514 | 0.409 | 0.007 | -1.019 | -0.910 | 0.003 |
4 | A | 5 | ASP | -1 | -0.722 | -0.819 | 5.553 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 6 | LEU | 0 | -0.003 | -0.010 | 9.252 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 7 | PRO | 0 | 0.037 | 0.021 | 10.940 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 8 | LEU | 0 | 0.042 | 0.003 | 11.945 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 9 | GLU | -1 | -0.833 | -0.897 | 13.586 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 10 | GLU | -1 | -0.927 | -0.984 | 15.748 | -0.461 | -0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 11 | LEU | 0 | -0.033 | -0.005 | 11.666 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 12 | LYS | 1 | 0.919 | 0.953 | 16.250 | 0.419 | 0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 13 | LYS | 1 | 0.830 | 0.906 | 19.039 | 0.364 | 0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 14 | TYR | 0 | 0.009 | 0.032 | 18.200 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 15 | ARG | 1 | 0.894 | 0.936 | 20.409 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 16 | PRO | 0 | -0.001 | 0.017 | 20.976 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 17 | GLU | -1 | -0.801 | -0.861 | 23.602 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 18 | ARG | 1 | 0.769 | 0.857 | 25.890 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 19 | TYR | 0 | -0.062 | -0.072 | 25.563 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 20 | GLU | -1 | -0.743 | -0.831 | 29.542 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 21 | GLU | -1 | -0.764 | -0.846 | 32.275 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 22 | LYS | 1 | 0.789 | 0.880 | 35.557 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 23 | ASP | -1 | -0.716 | -0.842 | 38.451 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 24 | PHE | 0 | -0.036 | 0.001 | 31.198 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 25 | ASP | -1 | -0.774 | -0.885 | 36.583 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 26 | GLU | -1 | -0.878 | -0.930 | 38.680 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 27 | PHE | 0 | -0.002 | 0.004 | 34.839 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 28 | TRP | 0 | 0.005 | 0.004 | 32.314 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 29 | GLU | -1 | -0.929 | -0.961 | 38.221 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 30 | GLU | -1 | -0.957 | -0.971 | 41.599 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 31 | THR | 0 | -0.046 | -0.044 | 37.689 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 32 | LEU | 0 | -0.017 | -0.014 | 37.608 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 33 | ALA | 0 | 0.074 | 0.041 | 41.351 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 34 | GLU | -1 | -0.859 | -0.904 | 42.718 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 35 | SER | 0 | 0.032 | -0.007 | 41.891 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 36 | GLU | -1 | -0.893 | -0.934 | 43.459 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 37 | LYS | 1 | 0.854 | 0.946 | 45.859 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 38 | PHE | 0 | 0.013 | 0.023 | 46.407 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 39 | PRO | 0 | -0.018 | -0.006 | 47.451 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 40 | LEU | 0 | 0.013 | -0.004 | 42.364 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 41 | ASP | -1 | -0.891 | -0.958 | 45.861 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 42 | PRO | 0 | 0.024 | 0.029 | 44.408 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 43 | VAL | 0 | -0.001 | 0.003 | 45.337 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 44 | PHE | 0 | -0.001 | -0.012 | 41.650 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 45 | GLU | -1 | -0.938 | -0.965 | 45.028 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 46 | ARG | 1 | 0.817 | 0.898 | 44.821 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 47 | MET | 0 | -0.026 | 0.000 | 39.123 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 48 | GLU | -1 | -0.920 | -0.953 | 44.700 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 49 | SER | 0 | -0.004 | -0.016 | 40.291 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 50 | HIS | 0 | 0.025 | 0.011 | 40.771 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 51 | LEU | 0 | -0.029 | -0.009 | 36.641 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 52 | LYS | 1 | 0.909 | 0.947 | 40.752 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 53 | THR | 0 | 0.072 | 0.029 | 38.078 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 54 | VAL | 0 | -0.006 | 0.005 | 37.005 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 55 | GLU | -1 | -0.829 | -0.880 | 40.474 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 56 | ALA | 0 | 0.000 | -0.016 | 39.664 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 57 | TYR | 0 | -0.002 | -0.016 | 40.731 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 58 | ASP | -1 | -0.790 | -0.908 | 40.331 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 59 | VAL | 0 | -0.037 | -0.009 | 39.819 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 60 | THR | 0 | 0.020 | 0.014 | 40.798 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 61 | PHE | 0 | 0.001 | -0.002 | 36.856 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 62 | SER | 0 | -0.023 | 0.009 | 42.083 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 63 | GLY | 0 | 0.029 | 0.015 | 39.563 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 64 | TYR | 0 | -0.043 | -0.052 | 38.055 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 65 | ARG | 1 | 0.738 | 0.833 | 40.136 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 66 | GLY | 0 | 0.053 | 0.039 | 43.649 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 67 | GLN | 0 | -0.030 | -0.002 | 40.113 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 68 | ARG | 1 | 0.834 | 0.907 | 42.089 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 69 | ILE | 0 | 0.013 | 0.018 | 36.646 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 70 | LYS | 1 | 0.917 | 0.951 | 37.885 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 71 | GLY | 0 | 0.006 | 0.003 | 35.903 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 72 | TRP | 0 | -0.055 | -0.027 | 33.648 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 73 | LEU | 0 | -0.002 | -0.002 | 36.533 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 74 | LEU | 0 | -0.046 | -0.012 | 34.082 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 75 | VAL | 0 | 0.054 | 0.019 | 37.864 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 76 | PRO | 0 | -0.006 | 0.011 | 38.225 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 77 | LYS | 1 | 0.846 | 0.918 | 40.211 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 78 | LEU | 0 | -0.003 | -0.007 | 39.657 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 79 | GLU | -1 | -0.935 | -0.966 | 44.272 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 80 | GLU | -1 | -0.943 | -0.959 | 42.134 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 81 | GLU | -1 | -0.918 | -0.961 | 46.274 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 82 | LYS | 1 | 0.744 | 0.846 | 44.993 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 83 | LEU | 0 | 0.038 | 0.031 | 40.341 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 84 | PRO | 0 | 0.009 | 0.023 | 36.754 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 85 | CYS | 0 | -0.069 | -0.046 | 36.505 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 86 | VAL | 0 | 0.003 | 0.009 | 29.686 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 87 | VAL | 0 | 0.019 | 0.000 | 32.581 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 88 | GLN | 0 | -0.010 | -0.010 | 25.718 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 89 | TYR | 0 | -0.003 | -0.025 | 27.196 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 90 | ILE | 0 | -0.024 | 0.006 | 25.477 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 91 | GLY | 0 | -0.025 | -0.033 | 23.717 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 92 | TYR | 0 | -0.036 | -0.041 | 19.754 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 93 | ASN | 0 | 0.077 | 0.028 | 21.065 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 94 | GLY | 0 | -0.007 | 0.013 | 23.930 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 95 | GLY | 0 | 0.048 | 0.008 | 26.879 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 96 | ARG | 1 | 0.824 | 0.930 | 28.553 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 97 | GLY | 0 | -0.013 | 0.002 | 30.419 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 98 | PHE | 0 | -0.001 | -0.010 | 31.267 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 99 | PRO | 0 | 0.035 | 0.012 | 32.567 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 100 | HIS | 0 | -0.030 | -0.034 | 31.226 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 101 | ASP | -1 | -0.821 | -0.890 | 28.448 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 102 | TRP | 0 | -0.065 | -0.036 | 26.266 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 103 | LEU | 0 | 0.036 | 0.011 | 30.698 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 104 | PHE | 0 | -0.031 | 0.006 | 26.889 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 105 | TRP | 0 | 0.075 | 0.021 | 27.009 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 106 | PRO | 0 | 0.026 | 0.015 | 31.749 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 107 | SER | 0 | -0.052 | -0.038 | 32.616 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 108 | MET | 0 | -0.091 | -0.031 | 28.774 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 109 | GLY | 0 | 0.014 | 0.008 | 33.652 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 110 | TYR | 0 | -0.029 | -0.020 | 33.369 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 111 | ILE | 0 | 0.027 | 0.012 | 35.955 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 112 | CYS | 0 | -0.041 | -0.005 | 31.762 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 113 | PHE | 0 | 0.043 | 0.024 | 34.418 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 114 | VAL | 0 | -0.015 | 0.000 | 30.385 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 115 | MET | 0 | 0.006 | 0.005 | 31.513 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 116 | ASP | -1 | -0.845 | -0.937 | 31.045 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 117 | THR | 0 | -0.064 | -0.019 | 28.254 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 156 | TYR | 0 | 0.013 | 0.006 | 28.082 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 157 | TYR | 0 | 0.083 | 0.002 | 25.113 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 158 | ARG | 1 | 0.920 | 0.977 | 30.918 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 159 | ARG | 1 | 0.804 | 0.908 | 34.373 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 160 | VAL | 0 | 0.031 | 0.011 | 29.239 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 161 | PHE | 0 | 0.021 | -0.003 | 27.428 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 162 | THR | 0 | -0.005 | -0.005 | 32.643 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 163 | ASP | -1 | -0.795 | -0.903 | 34.586 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 164 | ALA | 0 | 0.013 | 0.004 | 31.886 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 165 | VAL | 0 | 0.034 | 0.020 | 33.851 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 166 | ARG | 1 | 0.832 | 0.921 | 36.135 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 167 | ALA | 0 | 0.033 | 0.014 | 35.093 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 168 | VAL | 0 | -0.028 | -0.001 | 34.906 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 169 | GLU | -1 | -0.867 | -0.926 | 37.471 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 170 | ALA | 0 | 0.004 | 0.007 | 39.796 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 171 | ALA | 0 | 0.011 | 0.018 | 37.871 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 172 | ALA | 0 | -0.021 | -0.019 | 40.007 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 173 | SER | 0 | -0.085 | -0.044 | 42.124 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 174 | PHE | 0 | 0.034 | 0.021 | 43.024 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 175 | PRO | 0 | 0.046 | 0.023 | 44.909 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 176 | GLN | 0 | -0.002 | -0.004 | 44.375 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 177 | VAL | 0 | 0.010 | 0.016 | 40.348 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 178 | ASP | -1 | -0.813 | -0.888 | 41.459 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 179 | GLN | 0 | -0.020 | -0.042 | 40.912 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 180 | GLU | -1 | -0.807 | -0.881 | 40.976 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 181 | ARG | 1 | 0.810 | 0.899 | 37.638 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 182 | ILE | 0 | 0.027 | 0.031 | 35.855 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 183 | VAL | 0 | -0.021 | -0.013 | 30.237 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 184 | ILE | 0 | -0.032 | 0.003 | 29.942 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 185 | ALA | 0 | 0.044 | 0.008 | 26.457 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 186 | GLY | 0 | 0.026 | 0.006 | 24.483 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 187 | GLY | 0 | 0.071 | 0.044 | 20.300 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 188 | SER | 0 | -0.020 | -0.011 | 17.967 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 189 | GLN | 0 | 0.053 | 0.061 | 19.194 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 190 | GLY | 0 | 0.035 | 0.012 | 22.283 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 191 | GLY | 0 | 0.002 | 0.020 | 21.725 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 192 | GLY | 0 | 0.046 | 0.007 | 22.351 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 193 | ILE | 0 | -0.012 | -0.010 | 23.623 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 194 | ALA | 0 | -0.010 | -0.005 | 25.861 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 195 | LEU | 0 | 0.013 | 0.011 | 23.486 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 196 | ALA | 0 | 0.023 | 0.031 | 26.821 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 197 | VAL | 0 | 0.003 | -0.004 | 29.493 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 198 | SER | 0 | -0.100 | -0.082 | 29.352 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 199 | ALA | 0 | -0.033 | -0.019 | 31.543 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 200 | LEU | 0 | -0.006 | 0.016 | 33.281 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 201 | SER | 0 | -0.050 | -0.018 | 35.293 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 202 | LYS | 1 | 0.846 | 0.895 | 37.086 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 203 | LYS | 1 | 0.919 | 0.960 | 39.431 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 204 | ALA | 0 | 0.003 | 0.016 | 33.995 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 205 | LYS | 1 | 0.817 | 0.891 | 35.651 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 206 | ALA | 0 | -0.003 | 0.004 | 31.230 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 207 | LEU | 0 | -0.026 | -0.005 | 26.064 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 208 | LEU | 0 | -0.034 | -0.006 | 25.054 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 209 | CYS | 0 | -0.027 | -0.017 | 22.609 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 210 | ASP | -1 | -0.729 | -0.829 | 18.551 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 211 | VAL | 0 | -0.035 | -0.026 | 13.837 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 212 | PRO | 0 | 0.027 | 0.018 | 16.372 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 213 | PHE | 0 | 0.030 | -0.015 | 17.850 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 214 | LEU | 0 | -0.057 | -0.016 | 19.270 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 215 | CYS | 0 | -0.026 | 0.003 | 19.286 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 216 | HIS | 0 | 0.029 | -0.009 | 18.714 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 217 | PHE | 0 | 0.055 | 0.022 | 19.251 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 218 | ARG | 1 | 0.930 | 0.968 | 19.569 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 219 | ARG | 1 | 0.853 | 0.932 | 13.089 | 0.726 | 0.726 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 220 | ALA | 0 | 0.023 | -0.004 | 14.955 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 221 | VAL | 0 | -0.017 | -0.010 | 14.577 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 222 | GLN | 0 | -0.044 | -0.001 | 15.499 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 223 | LEU | 0 | -0.066 | -0.020 | 10.173 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 224 | VAL | 0 | -0.058 | -0.026 | 9.172 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 225 | ASP | -1 | -0.944 | -0.958 | 10.898 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 226 | THR | 0 | -0.008 | -0.029 | 10.689 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 227 | HIS | 0 | -0.095 | -0.032 | 13.552 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 228 | PRO | 0 | 0.075 | 0.005 | 15.694 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 229 | TYR | 0 | 0.053 | 0.012 | 15.371 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 230 | ALA | 0 | 0.020 | 0.017 | 16.070 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 231 | GLU | -1 | -0.887 | -0.943 | 17.949 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 232 | ILE | 0 | 0.002 | 0.007 | 20.844 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 233 | THR | 0 | 0.051 | 0.019 | 17.567 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 234 | ASN | 0 | 0.004 | -0.014 | 19.821 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 235 | PHE | 0 | 0.018 | 0.026 | 22.644 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 236 | LEU | 0 | 0.017 | -0.001 | 23.098 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 237 | LYS | 1 | 0.890 | 0.952 | 18.516 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 238 | THR | 0 | -0.054 | -0.027 | 24.828 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 239 | HIS | 0 | -0.085 | -0.023 | 28.174 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 240 | ARG | 1 | 0.978 | 0.976 | 27.337 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 241 | ASP | -1 | -0.828 | -0.886 | 29.439 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 242 | LYS | 1 | 0.853 | 0.903 | 30.495 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 243 | GLU | -1 | -0.889 | -0.951 | 25.116 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 244 | GLU | -1 | -0.869 | -0.913 | 28.512 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 245 | ILE | 0 | 0.049 | 0.011 | 30.806 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 246 | VAL | 0 | 0.015 | 0.030 | 25.992 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 247 | PHE | 0 | 0.007 | -0.014 | 22.201 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 248 | ARG | 1 | 0.784 | 0.857 | 27.660 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 249 | THR | 0 | -0.021 | 0.004 | 30.687 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 250 | LEU | 0 | -0.028 | -0.024 | 24.342 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 251 | SER | 0 | -0.074 | -0.039 | 27.765 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 252 | TYR | 0 | -0.025 | -0.037 | 29.058 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 253 | PHE | 0 | -0.036 | -0.039 | 27.892 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 254 | ASP | -1 | -0.785 | -0.879 | 23.932 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 255 | GLY | 0 | 0.068 | 0.006 | 24.222 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 256 | VAL | 0 | -0.027 | -0.031 | 22.700 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 257 | ASN | 0 | -0.023 | 0.001 | 25.226 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 258 | PHE | 0 | 0.021 | 0.024 | 27.979 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 259 | ALA | 0 | -0.001 | 0.004 | 25.826 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 260 | ALA | 0 | -0.024 | -0.009 | 27.954 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 261 | ARG | 1 | 0.688 | 0.778 | 30.223 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 262 | ALA | 0 | 0.002 | 0.026 | 30.068 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 263 | LYS | 1 | 0.905 | 0.945 | 32.103 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 264 | ILE | 0 | -0.003 | 0.016 | 31.577 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 265 | PRO | 0 | 0.017 | 0.024 | 31.046 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 266 | ALA | 0 | -0.003 | -0.002 | 26.533 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 267 | LEU | 0 | -0.033 | -0.001 | 22.746 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 268 | PHE | 0 | 0.033 | 0.000 | 20.115 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 269 | SER | 0 | -0.044 | -0.054 | 16.938 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 270 | VAL | 0 | -0.002 | -0.001 | 12.662 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 271 | GLY | 0 | 0.056 | 0.036 | 10.605 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 272 | LEU | 0 | -0.071 | -0.045 | 7.820 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 273 | MET | 0 | -0.005 | 0.004 | 2.916 | -1.266 | -1.284 | 2.058 | -0.482 | -1.559 | -0.006 |
235 | A | 274 | ASP | -1 | -0.722 | -0.830 | 5.631 | -0.483 | -0.483 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 275 | ASN | 0 | 0.039 | 0.006 | 6.650 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 276 | ILE | 0 | -0.009 | 0.028 | 8.665 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 277 | CYS | 0 | -0.103 | -0.043 | 12.062 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 278 | PRO | 0 | 0.037 | 0.043 | 10.639 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 279 | PRO | 0 | 0.029 | 0.026 | 9.391 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 280 | SER | 0 | -0.021 | -0.041 | 12.442 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 281 | THR | 0 | -0.069 | -0.050 | 14.759 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 282 | VAL | 0 | 0.030 | 0.017 | 15.080 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 283 | PHE | 0 | -0.001 | -0.021 | 14.063 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 284 | ALA | 0 | -0.005 | 0.022 | 18.103 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 285 | ALA | 0 | 0.053 | 0.016 | 20.496 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 286 | TYR | 0 | 0.031 | 0.016 | 20.385 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 287 | ASN | 0 | -0.041 | -0.043 | 20.057 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 288 | TYR | 0 | -0.081 | -0.064 | 23.564 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 289 | TYR | 0 | -0.081 | -0.036 | 25.516 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 290 | ALA | 0 | 0.005 | 0.011 | 27.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 291 | GLY | 0 | 0.040 | 0.045 | 30.314 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 292 | PRO | 0 | -0.047 | -0.026 | 29.829 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 293 | LYS | 1 | 0.799 | 0.886 | 25.301 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 294 | GLU | -1 | -0.766 | -0.849 | 23.680 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 295 | ILE | 0 | -0.018 | -0.004 | 17.452 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 296 | ARG | 1 | 0.739 | 0.860 | 17.989 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 297 | ILE | 0 | -0.007 | -0.018 | 12.576 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 298 | TYR | 0 | 0.026 | 0.006 | 11.955 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 299 | PRO | 0 | -0.012 | -0.023 | 8.820 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 300 | TYR | 0 | 0.002 | -0.008 | 5.683 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 301 | ASN | 0 | -0.060 | -0.022 | 6.828 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 302 | ASN | 0 | 0.037 | 0.018 | 5.926 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 303 | HIS | 1 | 0.797 | 0.847 | 8.244 | 0.488 | 0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 304 | GLU | -1 | -0.807 | -0.890 | 10.363 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 305 | GLY | 0 | -0.007 | -0.002 | 12.171 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 306 | GLY | 0 | 0.037 | -0.007 | 13.395 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 307 | GLY | 0 | 0.008 | 0.011 | 15.639 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 308 | SER | 0 | 0.031 | -0.015 | 17.734 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 309 | PHE | 0 | -0.018 | 0.008 | 17.847 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 310 | GLN | 0 | 0.029 | 0.005 | 18.245 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 311 | ALA | 0 | 0.035 | 0.028 | 20.121 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 312 | VAL | 0 | 0.008 | 0.002 | 23.214 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 313 | GLU | -1 | -0.836 | -0.906 | 20.797 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 314 | GLN | 0 | 0.019 | 0.006 | 22.765 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 315 | VAL | 0 | -0.014 | 0.003 | 25.760 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 316 | LYS | 1 | 0.830 | 0.901 | 24.114 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 317 | PHE | 0 | -0.034 | -0.011 | 26.546 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 318 | LEU | 0 | 0.030 | 0.014 | 28.599 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 319 | LYS | 1 | 0.779 | 0.872 | 31.378 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 320 | LYS | 1 | 0.845 | 0.920 | 28.055 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 321 | LEU | 0 | -0.053 | -0.031 | 31.964 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 322 | PHE | 0 | -0.005 | -0.005 | 34.120 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 323 | GLU | -1 | -0.841 | -0.878 | 36.300 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |