# data_comp_list loop_ _chem_comp.id _chem_comp.three_letter_code _chem_comp.name _chem_comp.group _chem_comp.number_atoms_all _chem_comp.number_atoms_nh _chem_comp.desc_level PRO PRO 'PROLINE ' L-peptide 14 7 . # data_comp_PRO # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.type_energy _chem_comp_atom.partial_charge PRO N N N -0.048 PRO CA C CH1 0.038 PRO HA H HCH1 0.048 PRO CB C CH2 -0.076 PRO HB1 H HCH2 0.038 PRO HB2 H HCH2 0.038 PRO CG C CH2 -0.076 PRO HG1 H HCH2 0.038 PRO HG2 H HCH2 0.038 PRO CD C CH2 -0.030 PRO HD1 H HCH2 0.047 PRO HD2 H HCH2 0.047 PRO C C C 0.323 PRO O O O -0.425 loop_ _chem_comp_tree.comp_id _chem_comp_tree.atom_id _chem_comp_tree.atom_back _chem_comp_tree.atom_forward _chem_comp_tree.connect_type PRO N n/a CA START PRO CA N C . PRO HA CA . . PRO CB CA CG . PRO HB1 CB . . PRO HB2 CB . . PRO CG CB CD . PRO HG1 CG . . PRO HG2 CG . . PRO CD CG HD2 . PRO HD1 CD . . PRO HD2 CD . . PRO C CA . END PRO O C . . PRO CD N . ADD loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.type _chem_comp_bond.value_dist _chem_comp_bond.value_dist_esd PRO N CA coval 1.466 0.015 PRO CA HA coval 0.980 0.020 PRO CA CB coval 1.530 0.020 PRO CB HB1 coval 0.970 0.020 PRO CB HB2 coval 0.970 0.020 PRO CB CG coval 1.492 0.050 PRO CG HG1 coval 0.970 0.020 PRO CG HG2 coval 0.970 0.020 PRO CG CD coval 1.503 0.034 PRO CD HD1 coval 0.970 0.020 PRO CD HD2 coval 0.970 0.020 PRO CD N coval 1.473 0.014 PRO CA C coval 1.525 0.021 PRO C O coval 1.231 0.020 loop_ _chem_comp_angle.comp_id _chem_comp_angle.atom_id_1 _chem_comp_angle.atom_id_2 _chem_comp_angle.atom_id_3 _chem_comp_angle.value_angle _chem_comp_angle.value_angle_esd PRO CA N CD 112.000 1.400 PRO HA CA CB 109.000 3.000 PRO CB CA C 110.100 1.900 PRO HA CA C 109.000 3.000 PRO N CA HA 110.000 3.000 PRO N CA CB 103.000 1.100 PRO HB1 CB HB2 110.000 3.000 PRO HB2 CB CG 110.000 3.000 PRO HB1 CB CG 110.000 3.000 PRO CA CB HB1 109.000 3.000 PRO CA CB HB2 109.000 3.000 PRO CA CB CG 104.500 1.900 PRO HG1 CG HG2 110.000 3.000 PRO HG2 CG CD 110.000 3.000 PRO HG1 CG CD 110.000 3.000 PRO CB CG HG1 109.000 3.000 PRO CB CG HG2 109.000 3.000 PRO CB CG CD 106.100 3.200 PRO HD1 CD HD2 110.000 3.000 PRO CG CD HD1 109.000 3.000 PRO CG CD HD2 109.000 3.000 PRO N CD CG 103.000 3.000 PRO N CD HD1 109.000 3.000 PRO N CD HD2 109.000 3.000 PRO N CA C 111.800 2.500 PRO CA C O 119.000 3.000 loop_ _chem_comp_tor.comp_id _chem_comp_tor.id _chem_comp_tor.atom_id_1 _chem_comp_tor.atom_id_2 _chem_comp_tor.atom_id_3 _chem_comp_tor.atom_id_4 _chem_comp_tor.value_angle _chem_comp_tor.value_angle_esd _chem_comp_tor.period PRO chi1 N CA CB CG -25.000 15.000 3 PRO chi2 CA CB CG CD 35.000 15.000 3 PRO chi3 CB CG CD N -30.000 15.000 3 loop_ _chem_comp_chir.comp_id _chem_comp_chir.id _chem_comp_chir.atom_id_centre _chem_comp_chir.atom_id_1 _chem_comp_chir.atom_id_2 _chem_comp_chir.atom_id_3 _chem_comp_chir.volume_sign PRO chir_01 CA N CB C negativ