![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: N98KQ
Calculation Name: 3FFS-C-Xray372
Preferred Name: Inosine-5'-monophosphate dehydrogenase, probable
Target Type: SINGLE PROTEIN
Ligand Name:
ligand 3-letter code:
PDB ID: 3FFS
Chain ID: C
ChEMBL ID: CHEMBL6145
UniProt ID: Q8T6T2
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 | 299 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4056112.721714 |
---|---|
FMO2-HF: Nuclear repulsion | 3943357.266764 |
FMO2-HF: Total energy | -112755.45495 |
FMO2-MP2: Total energy | -113082.77691 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F027045/ligand_interaction/ligand_F027045.png)
Ligand Interaction
![ligand interaction](./Kdata/F027045/ligand_interaction/ligand_interaction_F027045.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(C:3:THR)
Summations of interaction energy for
fragment #1(C:3:THR)
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. |
-3.087 | -0.808 | -0.01 | -1.059 | -1.211 | -0.001 |
Interaction energy analysis for fragmet #1(C:3:THR)
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 | C | 5 | ASN | 0 | 0.006 | 0.012 | 3.882 | -0.585 | 1.338 | -0.011 | -0.868 | -1.044 | 0.000 |
4 | C | 6 | ILE | 0 | 0.024 | 0.004 | 3.583 | -3.165 | -2.809 | 0.001 | -0.191 | -0.167 | -0.001 |
5 | C | 7 | GLY | 0 | 0.015 | 0.023 | 5.778 | 0.591 | 0.591 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | C | 8 | LYS | 1 | 0.858 | 0.922 | 8.260 | 0.706 | 0.706 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | C | 9 | GLY | 0 | 0.016 | 0.011 | 11.818 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | C | 10 | LEU | 0 | -0.005 | -0.009 | 13.976 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | C | 11 | THR | 0 | -0.031 | -0.022 | 17.654 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | C | 12 | PHE | 0 | 0.081 | 0.011 | 21.064 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | C | 13 | GLU | -1 | -0.875 | -0.945 | 24.488 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | C | 14 | ASP | -1 | -0.896 | -0.932 | 20.024 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | C | 15 | ILE | 0 | -0.015 | 0.008 | 21.221 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | C | 16 | LEU | 0 | -0.026 | -0.013 | 23.920 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | C | 17 | LEU | 0 | -0.012 | -0.016 | 26.534 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | C | 18 | VAL | 0 | -0.014 | -0.018 | 27.359 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | C | 19 | PRO | 0 | -0.061 | -0.024 | 29.831 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | C | 20 | ASN | 0 | -0.036 | -0.005 | 31.073 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | C | 21 | TYR | 0 | -0.040 | -0.027 | 34.366 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | C | 22 | SER | 0 | -0.050 | -0.039 | 37.574 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | C | 23 | GLU | -1 | -0.907 | -0.950 | 39.742 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | C | 24 | VAL | 0 | -0.033 | 0.000 | 39.857 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | C | 25 | LEU | 0 | 0.051 | 0.023 | 42.610 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | C | 26 | PRO | 0 | 0.029 | 0.015 | 42.266 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | C | 27 | ARG | 1 | 0.860 | 0.916 | 43.354 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | C | 28 | GLU | -1 | -0.937 | -0.967 | 44.654 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | C | 29 | VAL | 0 | 0.017 | 0.023 | 39.745 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | C | 30 | SER | 0 | -0.030 | -0.018 | 40.641 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | C | 31 | LEU | 0 | -0.050 | -0.041 | 38.656 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | C | 32 | GLU | -1 | -0.913 | -0.963 | 38.048 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | C | 33 | THR | 0 | -0.003 | 0.018 | 33.986 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | C | 34 | LYS | 1 | 0.878 | 0.942 | 34.159 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | C | 35 | LEU | 0 | 0.008 | 0.017 | 33.988 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | C | 36 | THR | 0 | 0.010 | -0.012 | 33.274 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | C | 37 | LYS | 1 | 0.850 | 0.923 | 34.375 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | C | 38 | ASN | 0 | -0.105 | -0.091 | 35.364 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | C | 39 | VAL | 0 | -0.033 | 0.019 | 38.236 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | C | 40 | SER | 0 | 0.004 | 0.006 | 38.209 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | C | 41 | LEU | 0 | -0.043 | -0.040 | 36.292 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | C | 42 | LYS | 1 | 0.965 | 1.010 | 40.186 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | C | 43 | ILE | 0 | -0.041 | -0.009 | 39.723 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | C | 44 | PRO | 0 | 0.014 | 0.004 | 34.315 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | C | 45 | LEU | 0 | -0.018 | -0.001 | 34.506 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | C | 46 | ILE | 0 | 0.004 | 0.006 | 32.515 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | C | 47 | SER | 0 | 0.014 | -0.009 | 35.464 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | C | 48 | SER | 0 | 0.027 | -0.004 | 32.743 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | C | 49 | ALA | 0 | 0.039 | 0.027 | 34.859 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | C | 50 | MET | 0 | -0.053 | -0.042 | 32.400 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | C | 51 | ASP | -1 | -0.846 | -0.940 | 37.169 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | C | 52 | THR | 0 | -0.027 | -0.007 | 38.441 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | C | 53 | VAL | 0 | -0.088 | -0.049 | 37.375 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | C | 54 | THR | 0 | 0.027 | 0.020 | 39.292 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | C | 55 | GLU | -1 | -0.770 | -0.879 | 41.953 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | C | 56 | HIS | 0 | -0.012 | -0.019 | 45.160 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | C | 57 | LEU | 0 | -0.025 | -0.010 | 47.807 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | C | 58 | MET | 0 | 0.007 | 0.011 | 42.610 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | C | 59 | ALA | 0 | -0.016 | -0.001 | 43.579 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | C | 60 | VAL | 0 | 0.020 | 0.008 | 44.588 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | C | 61 | GLY | 0 | -0.006 | -0.009 | 46.909 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | C | 62 | MET | 0 | -0.011 | -0.010 | 38.975 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | C | 63 | ALA | 0 | -0.032 | 0.006 | 43.874 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | C | 64 | ARG | 1 | 0.891 | 0.939 | 45.066 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | C | 65 | LEU | 0 | -0.037 | -0.025 | 44.925 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | C | 66 | GLY | 0 | 0.041 | 0.027 | 43.933 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | C | 67 | GLY | 0 | -0.002 | -0.002 | 40.599 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | C | 68 | ILE | 0 | 0.015 | 0.000 | 38.362 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | C | 69 | GLY | 0 | 0.068 | 0.024 | 39.605 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | C | 70 | ILE | 0 | -0.052 | -0.017 | 36.156 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | C | 71 | ILE | 0 | 0.032 | 0.021 | 39.024 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | C | 72 | HIS | 0 | -0.019 | -0.021 | 38.691 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | C | 73 | LYS | 1 | 0.935 | 0.957 | 33.507 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | C | 74 | ASN | 0 | -0.069 | -0.028 | 39.101 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | C | 75 | MET | 0 | 0.048 | 0.033 | 41.389 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | C | 76 | ASP | -1 | -0.870 | -0.932 | 44.290 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | C | 77 | MET | 0 | -0.006 | -0.020 | 44.602 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | C | 78 | GLU | -1 | -0.872 | -0.925 | 46.610 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | C | 79 | SER | 0 | -0.035 | -0.012 | 47.677 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | C | 80 | GLN | 0 | 0.039 | 0.026 | 40.797 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | C | 81 | VAL | 0 | 0.039 | 0.013 | 46.404 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | C | 82 | ASN | 0 | 0.033 | 0.002 | 48.239 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | C | 83 | GLU | -1 | -0.880 | -0.950 | 46.721 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | C | 84 | VAL | 0 | -0.015 | -0.001 | 45.018 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | C | 85 | LEU | 0 | -0.006 | -0.002 | 47.658 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | C | 86 | LYS | 1 | 0.878 | 0.942 | 50.972 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | C | 87 | VAL | 0 | 0.019 | 0.021 | 46.692 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | C | 88 | LYS | 1 | 0.749 | 0.883 | 45.975 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | C | 89 | ASN | 0 | -0.065 | -0.063 | 50.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | C | 90 | TRP | 0 | 0.035 | 0.028 | 53.053 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | C | 91 | ILE | 0 | -0.021 | 0.007 | 55.257 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | C | 124 | TYR | 0 | 0.014 | 0.013 | 51.464 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | C | 125 | SER | 0 | 0.056 | -0.027 | 51.358 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | C | 126 | ASN | 0 | -0.096 | -0.047 | 46.151 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | C | 127 | GLU | -1 | -0.859 | -0.895 | 47.232 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | C | 128 | ASN | 0 | -0.095 | -0.072 | 41.769 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | C | 129 | LEU | 0 | 0.017 | -0.001 | 46.068 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | C | 130 | ASP | -1 | -0.828 | -0.897 | 46.625 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | C | 131 | ASN | 0 | -0.011 | -0.036 | 46.657 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | C | 132 | LYS | 1 | 0.835 | 0.926 | 48.850 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | C | 133 | GLY | 0 | -0.029 | -0.016 | 51.696 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | C | 134 | ARG | 1 | 0.925 | 0.974 | 50.470 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | C | 135 | LEU | 0 | 0.031 | 0.015 | 47.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | C | 136 | ARG | 1 | 0.893 | 0.954 | 43.194 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | C | 137 | VAL | 0 | 0.017 | 0.008 | 43.123 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | C | 138 | GLY | 0 | -0.001 | 0.003 | 39.369 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | C | 139 | ALA | 0 | 0.016 | 0.013 | 39.528 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | C | 140 | ALA | 0 | 0.019 | 0.019 | 35.624 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | C | 141 | ILE | 0 | -0.013 | -0.018 | 35.192 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | C | 142 | GLY | 0 | 0.015 | -0.009 | 33.456 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | C | 143 | VAL | 0 | 0.074 | 0.063 | 30.681 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | C | 144 | ASN | 0 | 0.006 | -0.013 | 34.095 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | C | 145 | GLU | -1 | -1.017 | -0.942 | 36.483 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | C | 146 | ILE | 0 | 0.041 | -0.047 | 37.105 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | C | 147 | GLU | -1 | -0.946 | -0.977 | 40.329 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | C | 148 | ARG | 1 | 0.857 | 0.899 | 40.410 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | C | 149 | ALA | 0 | -0.005 | -0.008 | 39.593 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | C | 150 | LYS | 1 | 0.893 | 0.924 | 41.666 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | C | 151 | LEU | 0 | 0.071 | 0.047 | 44.642 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | C | 152 | LEU | 0 | 0.016 | 0.013 | 41.730 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | C | 153 | VAL | 0 | -0.031 | -0.029 | 42.750 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | C | 154 | GLU | -1 | -0.888 | -0.927 | 45.275 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | C | 155 | ALA | 0 | -0.057 | -0.015 | 48.460 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | C | 156 | GLY | 0 | -0.015 | -0.009 | 48.038 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | C | 157 | VAL | 0 | -0.032 | -0.006 | 42.257 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | C | 158 | ASP | -1 | -0.812 | -0.909 | 41.990 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | C | 159 | VAL | 0 | -0.009 | -0.007 | 36.075 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | C | 160 | ILE | 0 | 0.023 | 0.022 | 36.316 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | C | 161 | VAL | 0 | -0.034 | -0.034 | 32.726 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | C | 162 | LEU | 0 | -0.025 | -0.005 | 30.630 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | C | 163 | ASP | -1 | -0.827 | -0.927 | 30.179 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | C | 164 | SER | 0 | -0.070 | -0.053 | 27.001 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | C | 165 | ALA | 0 | 0.007 | 0.023 | 25.972 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | C | 166 | HIS | 0 | 0.032 | 0.013 | 18.909 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | C | 167 | GLY | 0 | 0.062 | 0.035 | 23.494 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | C | 168 | HIS | 0 | -0.026 | -0.005 | 17.970 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | C | 169 | SER | 0 | 0.002 | -0.002 | 21.165 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | C | 170 | LEU | 0 | 0.086 | 0.034 | 23.748 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | C | 171 | ASN | 0 | -0.067 | -0.049 | 25.827 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | C | 172 | ILE | 0 | 0.037 | 0.025 | 26.698 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | C | 173 | ILE | 0 | 0.070 | 0.055 | 24.248 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | C | 174 | ARG | 1 | 0.945 | 0.958 | 28.459 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | C | 175 | THR | 0 | 0.010 | 0.008 | 31.519 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | C | 176 | LEU | 0 | 0.003 | 0.012 | 29.434 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | C | 177 | LYS | 1 | 0.920 | 0.952 | 30.075 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | C | 178 | GLU | -1 | -0.962 | -0.977 | 33.880 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | C | 179 | ILE | 0 | 0.043 | 0.022 | 36.058 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | C | 180 | LYS | 1 | 0.896 | 0.951 | 34.660 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | C | 181 | SER | 0 | -0.051 | -0.021 | 37.980 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | C | 182 | LYS | 1 | 0.863 | 0.909 | 39.965 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | C | 183 | MET | 0 | -0.029 | 0.015 | 40.569 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | C | 184 | ASN | 0 | -0.189 | -0.099 | 39.540 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | C | 185 | ILE | 0 | 0.055 | 0.060 | 38.896 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | C | 186 | ASP | -1 | -0.763 | -0.850 | 37.104 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | C | 187 | VAL | 0 | -0.012 | -0.021 | 32.931 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | C | 188 | ILE | 0 | -0.014 | 0.006 | 29.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | C | 189 | VAL | 0 | -0.007 | -0.011 | 26.512 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | C | 190 | GLY | 0 | -0.016 | -0.012 | 27.361 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | C | 191 | ASN | 0 | -0.010 | 0.011 | 24.184 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | C | 192 | VAL | 0 | 0.000 | 0.004 | 20.461 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | C | 193 | VAL | 0 | 0.030 | -0.009 | 16.259 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | C | 194 | THR | 0 | -0.077 | -0.036 | 14.309 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | C | 195 | GLU | -1 | -0.788 | -0.913 | 12.442 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | C | 196 | GLU | -1 | -0.885 | -0.958 | 13.144 | 0.313 | 0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | C | 197 | ALA | 0 | 0.012 | 0.000 | 17.007 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | C | 198 | THR | 0 | 0.020 | -0.006 | 19.740 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | C | 199 | LYS | 1 | 0.961 | 0.989 | 19.782 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | C | 200 | GLU | -1 | -0.905 | -0.956 | 20.975 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | C | 201 | LEU | 0 | -0.006 | -0.005 | 23.162 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | C | 202 | ILE | 0 | 0.008 | 0.003 | 24.930 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | C | 203 | GLU | -1 | -1.029 | -1.014 | 24.538 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | C | 204 | ASN | 0 | -0.063 | -0.040 | 26.497 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | C | 205 | GLY | 0 | 0.045 | 0.021 | 29.629 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | C | 206 | ALA | 0 | 0.000 | 0.018 | 28.348 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | C | 207 | ASP | -1 | -0.785 | -0.900 | 30.436 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | C | 208 | GLY | 0 | 0.029 | 0.008 | 29.984 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | C | 209 | ILE | 0 | -0.043 | -0.022 | 23.763 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | C | 210 | LYS | 1 | 0.848 | 0.937 | 26.497 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | C | 211 | VAL | 0 | 0.005 | 0.004 | 21.057 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | C | 212 | GLY | 0 | 0.065 | 0.027 | 22.589 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | C | 213 | ILE | 0 | -0.046 | 0.011 | 19.794 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | C | 223 | ILE | 0 | -0.006 | -0.012 | 23.467 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | C | 224 | VAL | 0 | 0.007 | -0.004 | 23.299 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | C | 225 | ALA | 0 | -0.010 | -0.001 | 22.465 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | C | 226 | GLY | 0 | 0.036 | 0.022 | 19.433 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | C | 227 | VAL | 0 | -0.014 | -0.013 | 16.840 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | C | 228 | GLY | 0 | 0.008 | -0.011 | 16.537 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | C | 229 | VAL | 0 | -0.061 | -0.027 | 13.650 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | C | 230 | PRO | 0 | -0.022 | -0.007 | 15.032 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | C | 231 | GLN | 0 | 0.082 | 0.033 | 18.011 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | C | 232 | ILE | 0 | 0.006 | 0.013 | 19.406 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | C | 233 | THR | 0 | 0.051 | 0.025 | 13.500 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | C | 234 | ALA | 0 | -0.005 | 0.009 | 16.577 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | C | 235 | ILE | 0 | 0.015 | 0.007 | 18.030 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | C | 236 | GLU | -1 | -0.840 | -0.907 | 17.653 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | C | 237 | LYS | 1 | 0.888 | 0.942 | 11.399 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | C | 238 | CYS | 0 | -0.039 | -0.008 | 16.663 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | C | 239 | SER | 0 | 0.038 | 0.010 | 19.726 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | C | 240 | SER | 0 | -0.013 | -0.002 | 17.797 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | C | 241 | VAL | 0 | -0.104 | -0.030 | 17.166 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | C | 242 | ALA | 0 | -0.068 | -0.059 | 20.274 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | C | 243 | SER | 0 | 0.004 | 0.035 | 23.841 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | C | 244 | LYS | 1 | 0.890 | 0.955 | 20.657 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | C | 245 | PHE | 0 | 0.048 | 0.031 | 25.021 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | C | 246 | GLY | 0 | 0.020 | 0.032 | 29.102 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | C | 247 | ILE | 0 | -0.046 | -0.053 | 27.835 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | C | 248 | PRO | 0 | 0.017 | 0.021 | 28.188 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | C | 249 | ILE | 0 | 0.026 | 0.019 | 23.652 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | C | 250 | ILE | 0 | -0.021 | -0.018 | 27.068 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | C | 251 | ALA | 0 | 0.012 | -0.014 | 26.130 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | C | 252 | ASP | -1 | -0.849 | -0.941 | 26.302 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | C | 253 | GLY | 0 | 0.022 | 0.018 | 26.219 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | C | 254 | GLY | 0 | -0.024 | -0.024 | 26.069 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | C | 255 | ILE | 0 | -0.045 | -0.006 | 27.114 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | C | 256 | ARG | 1 | 0.855 | 0.922 | 27.547 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | C | 257 | TYR | 0 | 0.021 | 0.004 | 31.323 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | C | 258 | SER | 0 | 0.009 | 0.001 | 33.030 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | C | 259 | GLY | 0 | 0.010 | 0.005 | 32.449 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | C | 260 | ASP | -1 | -0.807 | -0.917 | 29.017 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | C | 261 | ILE | 0 | 0.010 | 0.004 | 28.916 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | C | 262 | GLY | 0 | 0.014 | 0.003 | 30.583 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | C | 263 | LYS | 1 | 0.868 | 0.933 | 26.119 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | C | 264 | ALA | 0 | 0.012 | 0.002 | 25.814 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | C | 265 | LEU | 0 | -0.023 | -0.009 | 26.379 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | C | 266 | ALA | 0 | -0.013 | -0.007 | 27.542 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | C | 267 | VAL | 0 | -0.015 | 0.002 | 21.280 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | C | 268 | GLY | 0 | -0.007 | -0.011 | 23.353 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | C | 269 | ALA | 0 | -0.065 | -0.013 | 25.359 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | C | 270 | SER | 0 | -0.041 | -0.023 | 27.174 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | C | 271 | SER | 0 | 0.002 | -0.003 | 30.365 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | C | 272 | VAL | 0 | 0.022 | 0.016 | 29.719 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | C | 273 | MET | 0 | -0.056 | 0.003 | 30.667 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | C | 274 | ILE | 0 | -0.011 | -0.001 | 31.543 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | C | 275 | GLY | 0 | 0.063 | 0.010 | 33.313 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | C | 276 | SER | 0 | -0.003 | -0.016 | 33.265 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | C | 277 | ILE | 0 | -0.009 | -0.008 | 33.456 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | C | 278 | LEU | 0 | 0.023 | 0.009 | 37.180 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | C | 279 | ALA | 0 | -0.038 | -0.007 | 38.499 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | C | 280 | GLY | 0 | 0.037 | 0.034 | 40.357 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | C | 281 | THR | 0 | 0.019 | 0.003 | 43.300 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | C | 282 | GLU | -1 | -0.914 | -0.956 | 45.692 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | C | 283 | GLU | -1 | -0.849 | -0.926 | 46.883 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | C | 284 | SER | 0 | -0.041 | -0.046 | 43.854 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | C | 285 | PRO | 0 | -0.021 | -0.023 | 43.410 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | C | 286 | GLY | 0 | -0.032 | -0.005 | 46.438 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | C | 287 | GLU | -1 | -0.825 | -0.891 | 48.190 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | C | 288 | LYS | 1 | 0.807 | 0.893 | 51.115 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | C | 289 | GLU | -1 | -0.917 | -0.956 | 52.173 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | C | 290 | LEU | 0 | -0.052 | -0.027 | 52.688 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | C | 291 | ILE | 0 | -0.014 | -0.006 | 50.170 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | C | 292 | GLY | 0 | 0.014 | 0.000 | 52.516 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | C | 293 | ASP | -1 | -0.897 | -0.921 | 52.063 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | C | 294 | THR | 0 | -0.069 | -0.050 | 48.640 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | C | 295 | VAL | 0 | 0.039 | 0.009 | 50.802 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | C | 296 | TYR | 0 | -0.039 | -0.028 | 45.499 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | C | 297 | LYS | 1 | 0.907 | 1.005 | 45.726 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | C | 334 | ARG | 1 | 1.013 | 0.995 | 42.885 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | C | 335 | VAL | 0 | -0.048 | -0.035 | 40.516 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | C | 336 | LYS | 1 | 0.894 | 0.956 | 43.002 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | C | 337 | TYR | 0 | 0.011 | 0.000 | 44.105 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | C | 338 | LYS | 1 | 0.846 | 0.916 | 39.326 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | C | 339 | GLY | 0 | 0.028 | 0.029 | 45.677 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | C | 340 | GLU | -1 | -0.868 | -0.933 | 47.786 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | C | 341 | MET | 0 | -0.030 | -0.013 | 44.151 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | C | 342 | GLU | -1 | -0.765 | -0.867 | 44.553 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | C | 343 | GLY | 0 | 0.004 | 0.013 | 45.761 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | C | 344 | VAL | 0 | -0.024 | -0.013 | 40.131 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | C | 345 | VAL | 0 | 0.024 | 0.007 | 40.844 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | C | 346 | TYR | 0 | -0.034 | -0.039 | 41.812 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | C | 347 | GLN | 0 | 0.000 | 0.009 | 39.081 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | C | 348 | LEU | 0 | 0.011 | -0.004 | 36.347 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | C | 349 | VAL | 0 | -0.037 | -0.005 | 38.272 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | C | 350 | GLY | 0 | -0.028 | -0.029 | 40.273 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | C | 351 | GLY | 0 | 0.012 | 0.002 | 37.637 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | C | 352 | LEU | 0 | 0.050 | 0.016 | 33.563 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | C | 353 | ARG | 1 | 0.866 | 0.963 | 36.842 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | C | 354 | SER | 0 | 0.025 | 0.003 | 38.581 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | C | 355 | CYS | 0 | -0.059 | 0.007 | 32.764 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | C | 356 | MET | 0 | 0.030 | 0.004 | 34.282 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | C | 357 | GLY | 0 | 0.035 | 0.033 | 36.165 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | C | 358 | TYR | 0 | -0.036 | -0.020 | 35.413 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | C | 359 | LEU | 0 | -0.050 | -0.024 | 29.860 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | C | 360 | GLY | 0 | 0.057 | 0.028 | 34.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | C | 361 | SER | 0 | -0.044 | -0.024 | 34.320 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | C | 362 | ALA | 0 | 0.033 | 0.006 | 36.484 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | C | 363 | SER | 0 | -0.020 | -0.020 | 36.601 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | C | 364 | ILE | 0 | 0.089 | 0.032 | 31.979 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | C | 365 | GLU | -1 | -0.810 | -0.897 | 32.062 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | C | 366 | GLU | -1 | -0.940 | -0.966 | 32.274 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | C | 367 | LEU | 0 | 0.036 | 0.007 | 30.179 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | C | 368 | TRP | 0 | -0.045 | -0.019 | 21.941 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | C | 369 | LYS | 1 | 0.812 | 0.901 | 27.363 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | C | 370 | LYS | 1 | 0.856 | 0.943 | 28.940 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | C | 371 | SER | 0 | 0.071 | 0.024 | 26.550 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | C | 372 | SER | 0 | 0.006 | 0.026 | 25.225 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | C | 373 | TYR | 0 | -0.053 | -0.038 | 19.038 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | C | 374 | VAL | 0 | -0.001 | 0.007 | 23.379 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | C | 375 | GLU | -1 | -0.838 | -0.921 | 17.742 | -0.507 | -0.507 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | C | 376 | ILE | 0 | -0.039 | -0.007 | 22.404 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | C | 377 | THR | 0 | -0.016 | -0.013 | 21.617 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | C | 378 | THR | 0 | -0.003 | 0.000 | 24.000 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |