![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 6NMVZ
Calculation Name: 5JJC-A-Xray372
Preferred Name:
Target Type:
Ligand Name: (2s)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid
ligand 3-letter code: LLP
PDB ID: 5JJC
Chain ID: A
UniProt ID: A0A0F6
Base Structure: X-ray
Registration Date: 2023-09-20
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 331 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4933043.204987 |
---|---|
FMO2-HF: Nuclear repulsion | 4809492.112099 |
FMO2-HF: Total energy | -123551.092888 |
FMO2-MP2: Total energy | -123916.22597 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F030452/ligand_interaction/ligand_F030452.png)
Ligand Interaction
![ligand interaction](./Kdata/F030452/ligand_interaction/ligand_interaction_F030452.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:1:MET)
Summations of interaction energy for
fragment #1(A:1:MET)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-2.82 | -0.511 | -0.02 | -1.241 | -1.048 | 0.006 |
Interaction energy analysis for fragmet #1(A:1:MET)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 3 | ASN | 0 | -0.001 | 0.000 | 3.875 | -0.970 | 1.339 | -0.020 | -1.241 | -1.048 | 0.006 |
4 | A | 4 | SER | 0 | -0.072 | -0.045 | 6.970 | 0.721 | 0.721 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 5 | VAL | 0 | 0.060 | 0.018 | 8.238 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | LEU | 0 | 0.023 | 0.015 | 10.581 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | ASP | -1 | -0.838 | -0.905 | 7.361 | -2.368 | -2.368 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | THR | 0 | -0.069 | -0.046 | 7.032 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | ILE | 0 | -0.050 | -0.020 | 9.438 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | GLY | 0 | 0.006 | 0.008 | 12.871 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | ASN | 0 | -0.036 | -0.034 | 11.374 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | THR | 0 | -0.007 | 0.003 | 13.500 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | PRO | 0 | 0.040 | 0.020 | 14.678 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | LEU | 0 | -0.002 | -0.002 | 17.179 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | ILE | 0 | 0.004 | -0.003 | 20.353 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | ARG | 1 | 0.794 | 0.873 | 22.844 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | LEU | 0 | -0.023 | -0.008 | 26.261 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | SER | 0 | -0.011 | -0.023 | 28.946 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | LYS | 1 | 0.819 | 0.891 | 31.426 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | ALA | 0 | -0.020 | -0.021 | 32.263 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | SER | 0 | 0.004 | 0.003 | 31.206 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | GLU | -1 | -0.798 | -0.901 | 33.547 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | LEU | 0 | -0.097 | -0.032 | 36.712 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | THR | 0 | -0.054 | -0.050 | 36.190 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | GLY | 0 | 0.017 | 0.026 | 38.173 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | CYS | 0 | -0.081 | -0.008 | 34.410 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | ASP | -1 | -0.779 | -0.859 | 29.194 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | ILE | 0 | -0.017 | -0.005 | 29.934 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | TYR | 0 | -0.025 | -0.033 | 23.886 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | GLY | 0 | 0.007 | -0.013 | 25.108 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | LYS | 1 | 0.788 | 0.888 | 17.651 | 0.408 | 0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | ALA | 0 | 0.055 | 0.025 | 18.304 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | GLU | -1 | -0.733 | -0.832 | 18.126 | -0.483 | -0.483 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | PHE | 0 | -0.039 | -0.015 | 18.756 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | LEU | 0 | -0.038 | -0.026 | 14.632 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | ASN | 0 | -0.010 | -0.006 | 13.997 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | PRO | 0 | 0.001 | 0.012 | 12.623 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | GLY | 0 | 0.017 | 0.003 | 14.562 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | GLN | 0 | -0.056 | -0.030 | 17.533 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | SER | 0 | -0.039 | -0.039 | 19.218 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | VAL | 0 | 0.060 | 0.039 | 19.785 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | LLP | 0 | 0.107 | 0.205 | 21.674 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | ASP | -1 | -0.776 | -0.872 | 17.147 | -0.512 | -0.512 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | ARG | 1 | 0.782 | 0.831 | 17.169 | 0.477 | 0.477 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | ALA | 0 | 0.022 | 0.016 | 19.371 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | ALA | 0 | -0.025 | -0.019 | 20.751 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | LEU | 0 | 0.036 | 0.018 | 15.258 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | TYR | 0 | -0.020 | -0.042 | 18.482 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | ILE | 0 | -0.050 | -0.020 | 21.570 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | ILE | 0 | -0.009 | 0.004 | 21.356 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | ARG | 1 | 0.913 | 0.935 | 14.882 | 0.802 | 0.802 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | ASP | -1 | -0.824 | -0.878 | 21.600 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | ALA | 0 | 0.002 | -0.002 | 25.147 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | GLU | -1 | -0.785 | -0.855 | 20.374 | -0.553 | -0.553 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | LYS | 1 | 0.875 | 0.924 | 22.273 | 0.443 | 0.443 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | ARG | 1 | 0.808 | 0.894 | 25.329 | 0.302 | 0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | GLY | 0 | 0.016 | 0.018 | 27.454 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | LEU | 0 | -0.040 | -0.019 | 28.643 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | LEU | 0 | -0.047 | -0.017 | 25.346 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | ARG | 1 | 0.855 | 0.931 | 25.348 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | PRO | 0 | 0.041 | 0.008 | 22.249 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | GLY | 0 | 0.007 | 0.007 | 24.674 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | GLY | 0 | -0.008 | 0.006 | 27.038 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | VAL | 0 | -0.038 | -0.016 | 27.227 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | ILE | 0 | 0.025 | 0.010 | 24.049 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | VAL | 0 | -0.008 | -0.005 | 28.211 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | GLU | -1 | -0.775 | -0.897 | 29.111 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | GLY | 0 | 0.008 | 0.018 | 31.551 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | THR | 0 | -0.082 | -0.079 | 29.209 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | ALA | 0 | 0.034 | 0.006 | 31.888 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | GLY | 0 | 0.059 | 0.020 | 29.234 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | ASN | 0 | -0.025 | -0.038 | 24.867 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | THR | 0 | 0.019 | -0.003 | 24.233 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | GLY | 0 | 0.052 | 0.031 | 24.854 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | ILE | 0 | -0.011 | 0.007 | 21.503 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | GLY | 0 | 0.036 | 0.023 | 20.210 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | LEU | 0 | -0.018 | -0.023 | 20.450 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | THR | 0 | -0.013 | -0.028 | 22.238 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | MET | 0 | -0.004 | 0.013 | 16.386 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | VAL | 0 | -0.004 | -0.013 | 17.181 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | ALA | 0 | 0.005 | 0.001 | 18.404 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | LYS | 1 | 0.841 | 0.916 | 18.540 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | ALA | 0 | -0.042 | -0.016 | 14.278 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | LEU | 0 | -0.047 | -0.019 | 15.531 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | GLY | 0 | -0.002 | 0.021 | 18.274 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | TYR | 0 | -0.099 | -0.072 | 21.170 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | ARG | 1 | 0.780 | 0.857 | 23.679 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | THR | 0 | 0.007 | 0.006 | 24.770 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | ALA | 0 | 0.008 | 0.027 | 27.643 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | ILE | 0 | -0.030 | -0.012 | 27.504 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | VAL | 0 | 0.021 | 0.012 | 31.380 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | ILE | 0 | -0.002 | -0.008 | 31.558 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | PRO | 0 | -0.009 | -0.010 | 35.026 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | GLU | -1 | -0.854 | -0.934 | 37.134 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | THR | 0 | -0.009 | -0.003 | 39.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | ALA | 0 | -0.003 | 0.008 | 33.599 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | SER | 0 | -0.010 | -0.024 | 31.097 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | GLN | 0 | 0.008 | -0.003 | 32.624 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | GLU | -1 | -0.738 | -0.843 | 29.116 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | LYS | 1 | 0.805 | 0.906 | 27.841 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | LYS | 1 | 0.808 | 0.899 | 28.638 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | ASP | -1 | -0.806 | -0.888 | 29.911 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | ALA | 0 | -0.006 | 0.000 | 24.695 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | LEU | 0 | -0.026 | -0.008 | 25.191 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | ARG | 1 | 0.818 | 0.888 | 26.811 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | LEU | 0 | -0.011 | -0.003 | 24.357 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | LEU | 0 | -0.037 | -0.009 | 20.127 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | GLY | 0 | 0.016 | 0.008 | 23.414 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | ALA | 0 | -0.028 | -0.013 | 26.044 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | GLU | -1 | -0.875 | -0.933 | 27.634 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | LEU | 0 | -0.062 | -0.033 | 30.565 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | ILE | 0 | 0.005 | -0.005 | 32.530 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | GLU | -1 | -0.790 | -0.886 | 35.797 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | VAL | 0 | -0.023 | -0.013 | 37.734 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | PRO | 0 | 0.044 | 0.028 | 40.671 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | ALA | 0 | -0.026 | 0.000 | 41.547 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | ALA | 0 | 0.035 | 0.014 | 42.385 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | PRO | 0 | 0.047 | 0.029 | 42.722 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | TYR | 0 | 0.081 | 0.027 | 38.919 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | ARG | 1 | 1.014 | 1.004 | 43.124 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | ASN | 0 | 0.017 | 0.021 | 45.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | PRO | 0 | 0.030 | -0.005 | 44.919 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | ASN | 0 | 0.025 | 0.018 | 43.745 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | ASN | 0 | -0.019 | 0.001 | 39.668 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | ALA | 0 | 0.088 | 0.033 | 36.660 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | VAL | 0 | 0.002 | 0.019 | 35.312 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | ARG | 1 | 0.874 | 0.941 | 37.076 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | LEU | 0 | -0.014 | 0.003 | 39.693 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | SER | 0 | 0.000 | -0.012 | 34.621 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | GLY | 0 | 0.057 | 0.021 | 36.351 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | ARG | 1 | 0.850 | 0.901 | 37.553 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | LEU | 0 | 0.010 | 0.017 | 35.643 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | ALA | 0 | 0.022 | 0.006 | 34.504 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | GLU | -1 | -0.890 | -0.931 | 35.964 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | GLN | 0 | -0.030 | -0.017 | 39.084 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | LEU | 0 | 0.045 | 0.015 | 34.147 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | ALA | 0 | -0.007 | 0.001 | 35.975 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | LYS | 1 | 0.768 | 0.876 | 36.944 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | THR | 0 | -0.014 | -0.019 | 37.769 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | GLU | -1 | -0.838 | -0.875 | 32.524 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | PRO | 0 | 0.011 | 0.015 | 33.991 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | ASN | 0 | -0.028 | -0.011 | 28.834 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | GLY | 0 | 0.031 | 0.009 | 29.350 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | ALA | 0 | 0.013 | 0.003 | 30.828 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | ILE | 0 | -0.013 | 0.000 | 27.454 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | TRP | 0 | -0.030 | -0.005 | 30.958 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | ALA | 0 | 0.011 | -0.005 | 27.862 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | ASN | 0 | 0.019 | -0.001 | 29.433 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | GLN | 0 | 0.079 | 0.051 | 28.669 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | PHE | 0 | -0.025 | -0.006 | 29.851 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | ASP | -1 | -0.764 | -0.847 | 33.096 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | ASN | 0 | 0.019 | 0.021 | 28.599 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | THR | 0 | 0.016 | 0.002 | 29.624 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | VAL | 0 | 0.025 | 0.021 | 25.390 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | ASN | 0 | -0.069 | -0.046 | 24.970 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | ARG | 1 | 0.871 | 0.919 | 25.221 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | GLN | 0 | -0.088 | -0.049 | 24.199 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | ALA | 0 | 0.048 | 0.028 | 20.973 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | HIS | 0 | -0.021 | 0.028 | 21.276 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | ILE | 0 | 0.015 | 0.028 | 23.457 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | GLU | -1 | -0.805 | -0.876 | 20.792 | -0.430 | -0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | THR | 0 | -0.049 | -0.026 | 17.175 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | THR | 0 | -0.018 | -0.033 | 19.175 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | ALA | 0 | 0.038 | 0.025 | 20.866 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | GLN | 0 | -0.002 | 0.007 | 19.905 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | GLU | -1 | -0.759 | -0.837 | 16.180 | -0.587 | -0.587 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | ILE | 0 | 0.002 | 0.007 | 18.930 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | TRP | 0 | -0.013 | -0.001 | 22.186 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | ARG | 1 | 0.793 | 0.858 | 14.289 | 0.523 | 0.523 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | ASP | -1 | -0.845 | -0.897 | 17.522 | -0.342 | -0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | THR | 0 | -0.045 | -0.035 | 20.314 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | SER | 0 | -0.060 | -0.032 | 22.147 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | ASP | -1 | -0.866 | -0.939 | 24.179 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | GLN | 0 | -0.064 | -0.029 | 26.792 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | ILE | 0 | -0.042 | -0.018 | 27.015 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | ASP | -1 | -0.797 | -0.892 | 29.229 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | GLY | 0 | -0.005 | -0.020 | 31.598 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | PHE | 0 | -0.017 | -0.009 | 26.104 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | VAL | 0 | 0.011 | 0.016 | 30.217 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | ALA | 0 | -0.020 | 0.012 | 29.079 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | ALA | 0 | 0.052 | 0.040 | 31.107 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | VAL | 0 | 0.010 | -0.006 | 31.514 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | GLY | 0 | -0.064 | -0.036 | 31.914 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | SER | 0 | -0.061 | -0.093 | 29.506 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | GLY | 0 | 0.055 | 0.002 | 31.280 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | GLY | 0 | 0.002 | 0.010 | 27.982 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | THR | 0 | -0.019 | -0.059 | 24.944 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | LEU | 0 | -0.005 | 0.006 | 26.900 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | ALA | 0 | 0.022 | 0.012 | 29.984 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | GLY | 0 | -0.002 | -0.005 | 27.331 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | THR | 0 | -0.002 | -0.018 | 25.222 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | ALA | 0 | -0.005 | -0.008 | 26.739 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | ILE | 0 | -0.028 | -0.006 | 29.674 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | GLY | 0 | 0.031 | 0.020 | 26.269 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | LEU | 0 | -0.018 | -0.005 | 25.699 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | LYS | 1 | 0.809 | 0.897 | 28.275 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | GLU | -1 | -0.929 | -0.972 | 28.170 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | ARG | 1 | 0.824 | 0.928 | 22.896 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | ASN | 0 | 0.050 | 0.017 | 29.392 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | HIS | 0 | 0.038 | 0.030 | 32.495 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | ASN | 0 | -0.113 | -0.069 | 35.310 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | ILE | 0 | 0.031 | 0.034 | 29.724 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | LYS | 1 | 0.811 | 0.901 | 34.046 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | ILE | 0 | -0.003 | -0.001 | 31.520 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | ALA | 0 | 0.009 | 0.000 | 34.177 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | LEU | 0 | -0.023 | -0.003 | 34.319 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | ALA | 0 | 0.007 | -0.002 | 34.295 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | ASP | -1 | -0.788 | -0.917 | 35.720 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | PRO | 0 | -0.014 | 0.002 | 36.594 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | HIS | 0 | 0.051 | 0.016 | 39.211 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | GLY | 0 | -0.022 | -0.001 | 41.659 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | ALA | 0 | -0.057 | -0.010 | 39.569 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | ALA | 0 | 0.009 | -0.004 | 41.452 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | LEU | 0 | -0.018 | -0.003 | 37.383 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | HIS | 0 | 0.058 | 0.041 | 41.292 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | ALA | 0 | 0.018 | 0.034 | 42.501 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | PHE | 0 | 0.004 | 0.018 | 42.536 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | TYR | 0 | 0.006 | -0.029 | 38.733 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | THR | 0 | -0.060 | -0.039 | 43.830 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | THR | 0 | -0.077 | -0.049 | 46.794 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | GLY | 0 | 0.004 | 0.015 | 47.944 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | GLU | -1 | -0.943 | -0.976 | 48.920 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | LEU | 0 | -0.056 | -0.023 | 43.181 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | LYS | 1 | 0.815 | 0.912 | 46.761 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | ALA | 0 | 0.008 | -0.003 | 45.227 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | GLU | -1 | -0.885 | -0.939 | 46.545 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | GLY | 0 | -0.002 | 0.001 | 46.258 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | ASP | -1 | -0.860 | -0.940 | 43.427 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | SER | 0 | -0.037 | -0.033 | 38.931 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | ILE | 0 | -0.037 | -0.020 | 37.732 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | THR | 0 | -0.071 | -0.034 | 34.411 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | GLU | -1 | -0.752 | -0.873 | 32.143 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | GLY | 0 | -0.088 | -0.046 | 30.398 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | ILE | 0 | -0.036 | -0.031 | 31.381 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | GLY | 0 | 0.044 | 0.033 | 33.864 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | GLN | 0 | -0.055 | -0.019 | 35.732 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | GLY | 0 | 0.068 | 0.015 | 38.087 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | ARG | 1 | 0.652 | 0.799 | 37.833 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | ILE | 0 | 0.092 | 0.054 | 39.297 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | THR | 0 | -0.014 | -0.025 | 34.515 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | ALA | 0 | 0.057 | 0.022 | 34.961 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | ASN | 0 | -0.039 | -0.045 | 30.053 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | LEU | 0 | -0.010 | 0.008 | 32.878 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | GLU | -1 | -0.931 | -0.960 | 35.589 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | GLY | 0 | 0.005 | 0.011 | 36.512 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | PHE | 0 | -0.001 | 0.002 | 34.060 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | THR | 0 | -0.020 | -0.025 | 36.935 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | PRO | 0 | -0.071 | 0.000 | 36.786 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | ASP | -1 | -0.772 | -0.868 | 37.210 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | PHE | 0 | 0.027 | 0.017 | 38.740 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | SER | 0 | 0.001 | -0.039 | 39.114 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | TYR | 0 | -0.076 | -0.071 | 37.587 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | GLN | 0 | 0.015 | 0.009 | 39.596 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | ILE | 0 | -0.044 | -0.023 | 37.264 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | PRO | 0 | -0.012 | 0.007 | 40.564 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | ASP | -1 | -0.716 | -0.853 | 39.369 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | ALA | 0 | -0.006 | -0.013 | 39.480 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | GLU | -1 | -0.803 | -0.867 | 39.306 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | ALA | 0 | 0.012 | 0.004 | 35.646 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | LEU | 0 | -0.027 | -0.025 | 35.550 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | ASP | -1 | -0.943 | -0.957 | 36.935 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | ILE | 0 | 0.028 | 0.011 | 33.410 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | LEU | 0 | -0.029 | -0.014 | 30.732 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | PHE | 0 | -0.032 | -0.034 | 32.712 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | ALA | 0 | 0.055 | 0.033 | 34.615 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | LEU | 0 | 0.003 | 0.002 | 27.973 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | VAL | 0 | -0.066 | -0.020 | 30.031 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | GLU | -1 | -0.919 | -0.982 | 31.278 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | GLU | -1 | -0.813 | -0.894 | 33.325 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | GLU | -1 | -0.825 | -0.883 | 28.677 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | GLY | 0 | 0.004 | 0.023 | 27.304 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | LEU | 0 | -0.049 | -0.032 | 23.208 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | CYS | 0 | 0.003 | 0.022 | 26.482 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | LEU | 0 | 0.002 | -0.007 | 24.405 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | GLY | 0 | 0.054 | 0.005 | 27.158 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | GLY | 0 | 0.029 | 0.000 | 29.032 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | SER | 0 | -0.009 | -0.040 | 29.088 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | SER | 0 | 0.052 | 0.019 | 27.473 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | GLY | 0 | 0.048 | 0.033 | 29.558 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | ILE | 0 | -0.040 | -0.024 | 33.026 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | ASN | 0 | -0.006 | -0.020 | 28.078 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | ILE | 0 | 0.039 | 0.028 | 28.819 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | ALA | 0 | 0.019 | 0.018 | 32.382 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | GLY | 0 | 0.002 | -0.012 | 35.306 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | ALA | 0 | -0.008 | -0.005 | 31.762 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | ILE | 0 | 0.011 | 0.003 | 33.809 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | ARG | 1 | 0.748 | 0.855 | 36.492 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | LEU | 0 | 0.057 | 0.028 | 34.004 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | ALA | 0 | -0.006 | -0.006 | 35.290 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | LYS | 1 | 0.925 | 0.964 | 37.098 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | ASP | -1 | -0.873 | -0.901 | 40.683 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | LEU | 0 | -0.060 | -0.029 | 36.107 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | GLY | 0 | -0.011 | 0.004 | 40.148 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | PRO | 0 | -0.007 | -0.009 | 39.055 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | GLY | 0 | -0.026 | -0.018 | 37.046 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | HIS | 1 | 0.834 | 0.907 | 34.670 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | THR | 0 | 0.023 | 0.025 | 28.052 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | ILE | 0 | -0.034 | -0.021 | 30.563 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | VAL | 0 | 0.014 | 0.006 | 24.685 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | THR | 0 | 0.008 | -0.020 | 26.852 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | VAL | 0 | -0.029 | -0.014 | 23.289 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | LEU | 0 | 0.028 | 0.032 | 23.009 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 303 | CYS | 0 | -0.022 | 0.009 | 22.895 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 304 | ASP | -1 | -0.706 | -0.842 | 22.941 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 305 | TYR | 0 | 0.048 | 0.041 | 18.252 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 306 | GLY | 0 | -0.008 | -0.013 | 24.815 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 307 | ASN | 0 | 0.034 | -0.010 | 24.177 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 308 | ARG | 1 | 0.816 | 0.914 | 21.663 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 309 | TYR | 0 | -0.036 | -0.036 | 27.990 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 310 | GLN | 0 | 0.042 | 0.031 | 31.249 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 311 | SER | 0 | -0.073 | -0.071 | 33.027 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 312 | LYS | 1 | 0.787 | 0.883 | 35.458 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 313 | LEU | 0 | 0.016 | 0.004 | 31.999 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 314 | PHE | 0 | 0.029 | 0.019 | 31.118 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 315 | ASN | 0 | 0.006 | 0.014 | 35.846 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 316 | PRO | 0 | 0.058 | 0.009 | 38.839 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 317 | ALA | 0 | -0.024 | -0.004 | 42.045 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 318 | PHE | 0 | -0.005 | -0.002 | 39.835 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 319 | LEU | 0 | -0.009 | 0.000 | 38.483 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 320 | ARG | 1 | 0.933 | 0.963 | 42.632 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 321 | GLY | 0 | -0.006 | 0.009 | 46.062 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 322 | LYS | 1 | 0.821 | 0.901 | 43.004 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 323 | SER | 0 | -0.052 | -0.015 | 45.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 324 | LEU | 0 | -0.028 | -0.008 | 41.064 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 325 | PRO | 0 | -0.006 | 0.001 | 41.032 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 326 | VAL | 0 | -0.018 | -0.021 | 40.947 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 327 | PRO | 0 | 0.006 | 0.013 | 36.810 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 328 | ARG | 1 | 0.972 | 0.988 | 38.898 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 329 | TRP | 0 | 0.034 | 0.018 | 33.648 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 330 | LEU | 0 | -0.021 | 0.007 | 36.378 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 331 | GLU | -1 | -1.045 | -1.014 | 40.161 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |