![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: M36JZ
Calculation Name: 1J5W-A-Xray319
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1J5W
Chain ID: A
UniProt ID: Q9WY59
Base Structure: X-ray
Registration Date: 2021-09-07
Reference: C. Watanabe, S. Koyama, K. Kamisaka, D. Takaya, T. Honma et. al., Interaction energy analysis of Apo structure dataset on FMODB, To be pubulished.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 1.20200129 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 283 |
LigandCharge | |
Software | ABINIT-MP - Open Ver.1 Rev. 15 / 20190524 |
Total energy (hartree)
FMO2-HF: Electronic energy | -4280667.15351 |
---|---|
FMO2-HF: Nuclear repulsion | 4165314.247621 |
FMO2-HF: Total energy | -115352.905889 |
FMO2-MP2: Total energy | -115692.874308 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F016229/ligand_interaction/ligand_F016229.png)
Ligand Interaction
![ligand interaction](./Kdata/F016229/ligand_interaction/ligand_interaction_F016229.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:0:ACE )
Summations of interaction energy for
fragment #1(A:0:ACE )
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. |
-9.431 | -10.964 | 6.147 | -2.542 | -2.073 | -0.011 |
Interaction energy analysis for fragmet #1(A:0:ACE )
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 | 2 | TYR | 0 | 0.010 | 0.034 | 3.806 | 0.806 | 1.653 | -0.006 | -0.339 | -0.501 | -0.001 |
4 | A | 3 | LEU | 0 | 0.048 | 0.027 | 5.409 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 4 | GLN | 0 | -0.016 | -0.016 | 7.628 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 5 | ASP | -1 | -0.849 | -0.941 | 3.880 | 0.877 | 0.937 | 0.004 | -0.036 | -0.028 | 0.000 |
7 | A | 6 | VAL | 0 | -0.019 | -0.001 | 3.774 | 0.484 | 0.694 | 0.003 | -0.046 | -0.167 | 0.000 |
8 | A | 7 | ILE | 0 | -0.012 | -0.009 | 4.887 | 0.105 | 0.145 | 0.000 | -0.003 | -0.037 | 0.000 |
9 | A | 8 | MET | 0 | -0.048 | -0.011 | 7.459 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 9 | LYS | 1 | 1.008 | 0.988 | 1.855 | -10.214 | -13.411 | 6.113 | -1.847 | -1.069 | -0.009 |
11 | A | 10 | LEU | 0 | 0.031 | 0.026 | 6.955 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 11 | ASN | 0 | 0.012 | 0.010 | 9.180 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 12 | ASP | -1 | -0.895 | -0.947 | 9.766 | 0.814 | 0.814 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 13 | PHE | 0 | -0.029 | -0.011 | 10.042 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 14 | TRP | 0 | 0.066 | 0.023 | 11.871 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 15 | ALA | 0 | -0.009 | 0.013 | 14.473 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 16 | SER | 0 | -0.101 | -0.064 | 14.591 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 17 | LYS | 1 | 0.862 | 0.939 | 15.616 | -0.327 | -0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 18 | GLY | 0 | -0.058 | -0.040 | 18.356 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 19 | CYS | 0 | -0.082 | -0.018 | 17.835 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 20 | LEU | 0 | -0.001 | -0.007 | 19.406 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 21 | LEU | 0 | -0.022 | -0.022 | 15.564 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 22 | GLU | -1 | -0.887 | -0.936 | 18.984 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 23 | GLN | 0 | -0.044 | -0.037 | 18.669 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 24 | PRO | 0 | -0.046 | -0.011 | 18.227 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 25 | TYR | 0 | -0.063 | -0.081 | 20.992 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 26 | ASP | -1 | -0.907 | -0.953 | 24.437 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 27 | MET | 0 | -0.046 | -0.013 | 26.639 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 28 | GLU | -1 | -0.967 | -0.978 | 26.562 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 29 | VAL | 0 | -0.001 | -0.004 | 24.050 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 30 | GLY | 0 | 0.021 | 0.011 | 25.047 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 31 | ALA | 0 | 0.012 | -0.007 | 22.292 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 32 | GLY | 0 | 0.067 | 0.024 | 20.969 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 33 | THR | 0 | -0.014 | -0.029 | 21.888 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 34 | PHE | 0 | -0.046 | -0.037 | 24.897 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 35 | HIS | 0 | 0.082 | 0.076 | 22.433 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 36 | PRO | 0 | 0.032 | 0.020 | 25.980 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 37 | ALA | 0 | 0.020 | 0.008 | 24.368 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 38 | THR | 0 | -0.025 | -0.008 | 23.435 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 39 | PHE | 0 | -0.014 | -0.007 | 26.032 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 40 | PHE | 0 | 0.015 | -0.017 | 29.517 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 41 | GLY | 0 | 0.011 | 0.020 | 27.899 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 42 | SER | 0 | 0.002 | -0.013 | 27.442 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 43 | LEU | 0 | -0.055 | -0.025 | 29.445 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 44 | ARG | 1 | 0.925 | 0.975 | 29.677 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 45 | LYS | 1 | 0.891 | 0.953 | 33.066 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 46 | GLY | 0 | 0.000 | -0.002 | 33.402 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 47 | PRO | 0 | -0.028 | -0.024 | 28.316 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 48 | TRP | 0 | -0.024 | -0.022 | 25.808 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 49 | LYS | 1 | 0.928 | 0.977 | 21.745 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 50 | VAL | 0 | -0.007 | 0.022 | 21.102 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 51 | ALA | 0 | 0.051 | 0.021 | 15.704 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 52 | TYR | 0 | -0.013 | -0.004 | 16.562 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 53 | VAL | 0 | 0.054 | 0.035 | 13.267 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 54 | GLN | 0 | 0.023 | -0.001 | 15.932 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 55 | PRO | 0 | -0.054 | -0.012 | 18.345 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 56 | SER | 0 | -0.040 | -0.024 | 19.739 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 57 | ARG | 1 | 0.929 | 0.963 | 22.028 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 58 | ARG | 1 | 0.886 | 0.937 | 23.091 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 59 | PRO | 0 | 0.024 | 0.018 | 26.650 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 60 | THR | 0 | -0.012 | 0.001 | 29.362 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 61 | ASP | -1 | -0.866 | -0.926 | 23.881 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 62 | GLY | 0 | 0.050 | 0.024 | 26.581 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 63 | ARG | 1 | 0.791 | 0.890 | 27.697 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 64 | TYR | 0 | -0.024 | -0.046 | 31.373 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 65 | GLY | 0 | 0.008 | 0.028 | 31.235 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 66 | GLU | -1 | -0.954 | -0.972 | 29.656 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 67 | ASN | 0 | 0.065 | 0.024 | 22.683 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 68 | PRO | 0 | -0.009 | 0.003 | 23.006 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 69 | ASN | 0 | 0.020 | -0.001 | 19.419 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 70 | ARG | 1 | 0.869 | 0.952 | 20.802 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 71 | LEU | 0 | 0.024 | 0.011 | 17.778 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 72 | GLN | 0 | -0.065 | -0.056 | 22.233 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 73 | ARG | 1 | 0.909 | 0.936 | 20.314 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 74 | TYR | 0 | 0.003 | 0.021 | 16.355 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 75 | PHE | 0 | -0.038 | -0.024 | 13.829 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 76 | GLN | 0 | 0.087 | 0.064 | 14.665 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 77 | TYR | 0 | -0.028 | -0.037 | 12.269 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 78 | GLN | 0 | -0.028 | -0.049 | 14.522 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 79 | VAL | 0 | 0.008 | 0.004 | 15.355 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 80 | ILE | 0 | -0.012 | -0.002 | 18.219 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 81 | ILE | 0 | -0.034 | -0.019 | 19.149 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 82 | LYS | 1 | 0.899 | 1.002 | 23.245 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 83 | PRO | 0 | -0.018 | -0.049 | 27.028 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 84 | SER | 0 | 0.022 | -0.017 | 25.507 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 85 | PRO | 0 | -0.058 | -0.007 | 21.869 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 86 | GLU | -1 | -0.920 | -0.970 | 25.063 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 87 | ASN | 0 | -0.015 | 0.004 | 23.122 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 88 | SER | 0 | 0.044 | 0.011 | 21.376 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 89 | GLN | 0 | -0.019 | -0.003 | 19.513 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 90 | GLU | -1 | -0.863 | -0.934 | 18.168 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 91 | LEU | 0 | -0.004 | -0.006 | 16.515 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 92 | TYR | 0 | 0.009 | -0.003 | 13.854 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 93 | LEU | 0 | 0.033 | 0.041 | 13.500 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 94 | GLU | -1 | -0.862 | -0.924 | 12.551 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 95 | SER | 0 | -0.074 | -0.056 | 10.830 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 96 | LEU | 0 | 0.012 | -0.012 | 8.835 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 97 | GLU | -1 | -0.767 | -0.868 | 7.946 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 98 | TYR | 0 | -0.085 | -0.034 | 7.479 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 99 | LEU | 0 | -0.103 | -0.055 | 4.012 | 0.769 | 0.965 | 0.001 | -0.037 | -0.160 | 0.000 |
101 | A | 100 | GLY | 0 | -0.040 | -0.006 | 3.798 | -1.069 | -0.886 | 0.013 | -0.167 | -0.029 | -0.001 |
102 | A | 101 | ILE | 0 | -0.025 | -0.010 | 5.210 | -0.283 | -0.324 | 0.000 | -0.003 | 0.043 | 0.000 |
103 | A | 102 | ASN | 0 | -0.021 | -0.028 | 8.476 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 103 | LEU | 0 | -0.003 | -0.018 | 11.464 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 104 | LYS | 1 | 0.784 | 0.891 | 13.876 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 105 | GLU | -1 | -0.931 | -0.964 | 11.856 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 106 | HIS | 0 | 0.047 | 0.112 | 9.271 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 107 | ASP | -1 | -0.935 | -0.938 | 14.342 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 108 | ILE | 0 | 0.043 | 0.027 | 13.081 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 109 | ARG | 1 | 0.916 | 0.960 | 17.175 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 110 | PHE | 0 | 0.005 | 0.002 | 18.252 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 111 | VAL | 0 | -0.019 | -0.011 | 21.879 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 112 | GLU | -1 | -0.984 | -0.997 | 24.650 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 113 | ASP | -1 | -0.796 | -0.903 | 25.790 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 114 | ASN | 0 | -0.112 | -0.064 | 27.745 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 115 | TRP | 0 | 0.075 | 0.049 | 25.099 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 116 | GLU | -1 | -0.902 | -0.966 | 28.255 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 117 | SER | 0 | -0.011 | -0.008 | 28.569 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 118 | PRO | 0 | 0.050 | 0.011 | 30.614 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 119 | THR | 0 | -0.049 | -0.032 | 32.326 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 120 | LEU | 0 | 0.045 | 0.024 | 28.756 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 121 | GLY | 0 | -0.025 | -0.019 | 32.997 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 122 | ALA | 0 | -0.037 | -0.014 | 30.486 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 123 | TRP | 0 | 0.053 | 0.034 | 30.815 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 124 | GLY | 0 | -0.001 | -0.017 | 29.199 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 125 | VAL | 0 | 0.001 | 0.021 | 29.041 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 126 | GLY | 0 | 0.019 | 0.006 | 25.326 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 127 | TRP | 0 | -0.030 | -0.006 | 22.274 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 128 | GLU | -1 | -0.785 | -0.841 | 20.976 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 129 | VAL | 0 | -0.036 | -0.030 | 15.786 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 130 | TRP | 0 | -0.125 | -0.095 | 17.461 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 131 | LEU | 0 | 0.001 | -0.012 | 10.819 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 132 | ASP | -1 | -0.895 | -0.967 | 15.054 | -0.384 | -0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 133 | GLY | 0 | -0.044 | -0.018 | 16.845 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 134 | MET | 0 | -0.034 | -0.018 | 15.246 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 135 | GLU | -1 | -0.922 | -0.939 | 16.754 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 136 | ILE | 0 | -0.006 | -0.014 | 12.085 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 137 | THR | 0 | -0.027 | -0.017 | 14.557 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 138 | GLN | 0 | -0.010 | 0.021 | 16.633 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 139 | PHE | 0 | -0.027 | -0.027 | 18.570 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 140 | THR | 0 | 0.045 | 0.001 | 20.924 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 141 | TYR | 0 | -0.004 | 0.008 | 24.258 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 142 | PHE | 0 | -0.042 | -0.026 | 25.254 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 143 | GLN | 0 | -0.007 | -0.010 | 29.133 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 144 | GLN | 0 | -0.043 | -0.030 | 32.335 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 145 | ILE | 0 | 0.049 | 0.040 | 29.759 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 146 | GLY | 0 | 0.036 | 0.014 | 32.756 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 147 | GLY | 0 | -0.086 | -0.052 | 35.324 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 148 | ILE | 0 | -0.082 | -0.035 | 36.394 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 149 | SER | 0 | 0.027 | 0.011 | 35.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 150 | LEU | 0 | -0.057 | -0.017 | 33.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 151 | LYS | 1 | 0.896 | 0.944 | 34.992 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 152 | ASP | -1 | -0.908 | -0.953 | 31.718 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 153 | ILE | 0 | 0.046 | 0.020 | 28.726 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 154 | PRO | 0 | -0.053 | -0.010 | 27.191 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 155 | LEU | 0 | 0.028 | 0.025 | 20.900 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 156 | GLU | -1 | -0.775 | -0.858 | 21.121 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 157 | ILE | 0 | -0.031 | -0.001 | 15.864 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 158 | THR | 0 | 0.013 | 0.016 | 16.926 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 159 | TYR | 0 | 0.031 | 0.001 | 11.078 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 160 | GLY | 0 | 0.020 | 0.017 | 13.901 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 161 | LEU | 0 | -0.038 | -0.038 | 9.429 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 162 | GLU | -1 | -0.730 | -0.837 | 10.144 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 163 | ARG | 1 | 0.910 | 0.952 | 11.763 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 164 | ILE | 0 | 0.042 | 0.026 | 6.739 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 165 | ALA | 0 | -0.015 | -0.008 | 7.222 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 166 | MET | 0 | -0.039 | -0.017 | 8.298 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 167 | TYR | 0 | -0.038 | -0.098 | 8.833 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 168 | LEU | 0 | -0.027 | -0.019 | 3.459 | -0.197 | -0.028 | 0.019 | -0.064 | -0.125 | 0.000 |
170 | A | 169 | GLN | 0 | -0.045 | -0.050 | 7.219 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 170 | GLY | 0 | -0.015 | 0.014 | 9.214 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 171 | VAL | 0 | -0.073 | -0.018 | 12.499 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 172 | ASP | -1 | -0.850 | -0.935 | 14.609 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 173 | ASN | 0 | -0.040 | -0.029 | 17.595 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 174 | VAL | 0 | 0.076 | 0.017 | 14.842 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 175 | TYR | 0 | -0.051 | -0.040 | 15.522 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 176 | GLU | -1 | -0.887 | -0.957 | 16.468 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 177 | VAL | 0 | -0.041 | 0.004 | 10.366 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 178 | GLN | 0 | 0.016 | 0.017 | 9.933 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 179 | TRP | 0 | 0.002 | -0.022 | 9.810 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 180 | ASN | 0 | 0.022 | -0.016 | 9.798 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 181 | GLU | -1 | -0.932 | -0.972 | 10.978 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 182 | ASN | 0 | -0.074 | -0.045 | 12.268 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 183 | VAL | 0 | -0.016 | 0.016 | 14.398 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 184 | LYS | 1 | 0.916 | 0.974 | 14.022 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 185 | TYR | 0 | -0.017 | -0.045 | 14.024 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 186 | GLY | 0 | -0.003 | -0.020 | 16.090 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 187 | ASP | -1 | -0.879 | -0.923 | 18.826 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 188 | VAL | 0 | -0.083 | -0.028 | 18.092 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 189 | PHE | 0 | -0.020 | -0.035 | 16.883 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 190 | LEU | 0 | 0.013 | 0.029 | 21.495 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 191 | GLU | -1 | -0.902 | -0.971 | 23.374 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 192 | ASN | 0 | 0.006 | 0.019 | 23.583 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 193 | GLU | -1 | -0.800 | -0.884 | 22.413 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 194 | ARG | 1 | 0.938 | 0.984 | 25.465 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 195 | GLU | -1 | -0.845 | -0.918 | 28.607 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 196 | PHE | 0 | -0.047 | -0.033 | 27.574 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 197 | SER | 0 | -0.037 | -0.014 | 28.057 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 198 | VAL | 0 | 0.042 | 0.037 | 30.389 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 199 | PHE | 0 | -0.035 | -0.002 | 32.100 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 200 | ASN | 0 | -0.031 | -0.059 | 28.876 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 201 | PHE | 0 | -0.055 | -0.033 | 30.351 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 202 | GLU | -1 | -0.979 | -0.998 | 35.368 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 203 | GLU | -1 | -0.912 | -0.958 | 37.061 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 204 | ALA | 0 | -0.057 | 0.011 | 36.023 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 205 | ASN | 0 | 0.013 | -0.013 | 38.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 206 | VAL | 0 | 0.074 | 0.031 | 40.900 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 207 | GLY | 0 | 0.013 | 0.008 | 42.344 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 208 | LEU | 0 | -0.066 | -0.035 | 40.596 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 209 | LEU | 0 | 0.057 | 0.028 | 37.651 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 210 | PHE | 0 | -0.018 | -0.009 | 41.101 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 211 | ARG | 1 | 0.947 | 0.991 | 43.778 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 212 | HIS | 0 | -0.007 | -0.013 | 39.789 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 213 | PHE | 0 | -0.001 | 0.005 | 38.209 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 214 | ASP | -1 | -0.828 | -0.916 | 41.494 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 215 | GLU | -1 | -0.945 | -0.978 | 44.140 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 216 | TYR | 0 | 0.024 | -0.013 | 38.186 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 217 | GLU | -1 | -0.776 | -0.877 | 41.745 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 218 | LYS | 1 | 0.931 | 0.966 | 42.931 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 219 | GLU | -1 | -0.890 | -0.922 | 42.458 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 220 | PHE | 0 | 0.005 | -0.001 | 38.686 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 221 | TYR | 0 | -0.003 | -0.009 | 42.083 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 222 | ARG | 1 | 0.877 | 0.928 | 45.179 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 223 | LEU | 0 | -0.053 | -0.040 | 41.329 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 224 | VAL | 0 | 0.008 | 0.003 | 40.737 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 225 | GLU | -1 | -0.914 | -0.962 | 43.211 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 226 | LYS | 1 | 0.814 | 0.925 | 46.195 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 227 | ASN | 0 | 0.049 | 0.011 | 43.870 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 228 | LEU | 0 | -0.040 | -0.008 | 41.452 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 229 | TYR | 0 | 0.051 | 0.003 | 35.564 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 230 | LEU | 0 | 0.026 | 0.029 | 33.349 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 231 | PRO | 0 | 0.022 | 0.005 | 35.595 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 232 | ALA | 0 | -0.008 | 0.005 | 37.855 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 233 | TYR | 0 | -0.011 | -0.053 | 29.570 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 234 | ASP | -1 | -0.762 | -0.841 | 32.676 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 235 | TYR | 0 | -0.033 | -0.031 | 34.535 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 236 | ILE | 0 | -0.038 | -0.001 | 34.105 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 237 | LEU | 0 | -0.018 | 0.013 | 29.536 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 238 | LYS | 1 | 0.923 | 0.953 | 32.720 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 239 | CYS | 0 | -0.052 | 0.002 | 34.859 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 240 | SER | 0 | -0.014 | -0.009 | 31.151 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 241 | HIS | 0 | 0.061 | 0.029 | 29.326 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 242 | THR | 0 | -0.019 | -0.034 | 32.521 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 243 | PHE | 0 | -0.050 | -0.028 | 34.714 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 244 | ASN | 0 | 0.028 | 0.001 | 30.153 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 245 | LEU | 0 | 0.008 | 0.017 | 31.860 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 246 | LEU | 0 | -0.024 | -0.005 | 34.580 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 247 | ASP | -1 | -0.869 | -0.935 | 34.722 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 248 | ALA | 0 | -0.024 | -0.015 | 32.705 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 249 | ARG | 1 | 0.851 | 0.947 | 34.681 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 250 | GLY | 0 | -0.031 | -0.009 | 37.878 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 251 | ALA | 0 | -0.037 | -0.012 | 39.770 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 252 | ILE | 0 | -0.005 | -0.009 | 38.727 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 253 | SER | 0 | 0.001 | -0.005 | 42.673 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 254 | VAL | 0 | 0.080 | 0.024 | 42.271 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 255 | SER | 0 | 0.017 | 0.015 | 43.881 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 256 | GLN | 0 | 0.095 | 0.059 | 44.459 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 257 | ARG | 1 | 0.949 | 0.973 | 35.128 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 258 | GLN | 0 | -0.012 | 0.001 | 40.062 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 259 | THR | 0 | -0.055 | -0.043 | 41.923 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 260 | TYR | 0 | 0.018 | 0.007 | 39.313 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 261 | VAL | 0 | 0.024 | 0.023 | 36.381 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 262 | LYS | 1 | 0.919 | 0.947 | 38.477 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 263 | ARG | 1 | 0.739 | 0.849 | 41.263 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 264 | ILE | 0 | 0.037 | 0.020 | 35.026 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 265 | GLN | 0 | 0.007 | 0.017 | 37.139 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 266 | ALA | 0 | -0.087 | -0.052 | 38.133 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 267 | MET | 0 | -0.016 | 0.013 | 38.851 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 268 | ALA | 0 | 0.068 | 0.034 | 35.192 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 269 | ARG | 1 | 0.957 | 0.971 | 37.070 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 270 | LYS | 1 | 0.878 | 0.945 | 39.398 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 271 | ALA | 0 | 0.047 | 0.015 | 36.983 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 272 | ALA | 0 | 0.035 | 0.028 | 36.503 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 273 | ARG | 1 | 0.898 | 0.960 | 37.530 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 274 | VAL | 0 | 0.010 | 0.017 | 40.883 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 275 | PHE | 0 | -0.012 | -0.011 | 34.540 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 276 | LEU | 0 | -0.034 | -0.028 | 37.147 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 277 | GLU | -1 | -0.962 | -0.986 | 39.973 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 278 | VAL | 0 | -0.021 | -0.009 | 40.337 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 279 | GLN | 0 | -0.042 | 0.001 | 36.160 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 280 | ALA | 0 | -0.076 | -0.055 | 40.075 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 281 | ASN | 0 | 0.062 | 0.037 | 42.969 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 282 | NME | 0 | -0.035 | -0.001 | 46.419 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |