# 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 ASP ASP 'ASPARTIC-ACID ' L-peptide 12 8 . # data_comp_ASP # 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 ASP N N NH1 -0.204 ASP H H HNH1 0.204 ASP CA C CH1 0.058 ASP HA H HCH1 0.046 ASP CB C CH2 -0.059 ASP HB1 H HCH2 0.042 ASP HB2 H HCH2 0.042 ASP CG C C 0.207 ASP OD1 O OC -0.616 ASP OD2 O OC -0.616 ASP C C C 0.318 ASP O O O -0.422 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 ASP N n/a CA START ASP H N . . ASP CA N C . ASP HA CA . . ASP CB CA CG . ASP HB1 CB . . ASP HB2 CB . . ASP CG CB OD2 . ASP OD1 CG . . ASP OD2 CG . . ASP C CA . END ASP O C . . 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 ASP N H coval 0.860 0.020 ASP N CA coval 1.458 0.019 ASP CA HA coval 0.980 0.020 ASP CA CB coval 1.530 0.020 ASP CB HB1 coval 0.970 0.020 ASP CB HB2 coval 0.970 0.020 ASP CB CG coval 1.516 0.025 ASP CG OD1 coval 1.249 0.019 ASP CG OD2 coval 1.249 0.019 ASP CA C coval 1.525 0.021 ASP 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 ASP H N CA 114.000 3.000 ASP HA CA CB 109.000 3.000 ASP CB CA C 110.100 1.900 ASP HA CA C 109.000 3.000 ASP N CA HA 110.000 3.000 ASP N CA CB 110.500 1.700 ASP HB1 CB HB2 110.000 3.000 ASP HB2 CB CG 108.000 3.000 ASP HB1 CB CG 108.000 3.000 ASP CA CB HB1 109.000 3.000 ASP CA CB HB2 109.000 3.000 ASP CA CB CG 112.600 1.000 ASP OD1 CG OD2 118.400 2.300 ASP CB CG OD1 118.400 2.300 ASP CB CG OD2 122.900 2.400 ASP N CA C 111.200 2.800 ASP CA C O 120.800 1.700 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 ASP chi1 N CA CB CG 180.000 15.000 3 ASP chi2 CA CB CG OD2 0.000 30.000 2 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 ASP chir_01 CA N CB C negativ loop_ _chem_comp_plane_atom.comp_id _chem_comp_plane_atom.plane_id _chem_comp_plane_atom.atom_id _chem_comp_plane_atom.dist_esd ASP plan CG 0.020 ASP plan CB 0.020 ASP plan OD1 0.020 ASP plan OD2 0.020