Specific line-1
Specific line-2
Specific line-3
Specific line-4
Specific line-5 
(H2O) 1.0
(H2O) 0.9 
(H2O) 1.1
(H2O)5 (good)
(H2O)5 (bad)
 Cys-4 (good)
 Cys-4 (bad)
acetate - water (good)
acetate - water (bad)
NH3 (good)
NH3 (bad)
Covalent peptide bond C - N (good)
Covalent peptide bond C - N (bad)                                             
H2O (Good)                                                                
H2O (bad)  
H - H (good)
H - H (bad)
 