global_
_lib_name         ?
_lib_version      ?
_lib_update       ?
# ------------------------------------------------
#
# ---   LIST OF MONOMERS ---
#
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
DPR      DPR 'D-PROLINE                           ' P-peptide          16   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DPR
#
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
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
 DPR           OXT    O    OC       -0.500      0.000    0.000    0.000
 DPR           C      C    C         0.000     -0.357    0.127   -1.192
 DPR           O      O    OC       -0.500     -0.992   -0.739   -1.834
 DPR           CA     C    CH1       0.000      0.077    1.448   -1.734
 DPR           HA     H    H         0.000     -0.372    2.267   -1.155
 DPR           CB     C    CH2       0.000      1.595    1.590   -1.770
 DPR           HB2    H    H         0.000      2.093    0.723   -1.332
 DPR           HB3    H    H         0.000      1.930    2.496   -1.261
 DPR           CG     C    CH2       0.000      1.937    1.680   -3.249
 DPR           HG2    H    H         0.000      2.177    0.707   -3.682
 DPR           HG3    H    H         0.000      2.755    2.377   -3.446
 DPR           CD     C    CH2       0.000      0.661    2.209   -3.869
 DPR           HD2    H    H         0.000      0.577    1.970   -4.931
 DPR           HD3    H    H         0.000      0.537    3.285   -3.729
 DPR           N      N    NH1       0.000     -0.373    1.498   -3.125
 DPR           H      H    H         0.000     -1.231    1.115   -3.498
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
 DPR      OXT    n/a    C      START
 DPR      C      OXT    CA     .
 DPR      O      C      .      .
 DPR      CA     C      CB     .
 DPR      HA     CA     .      .
 DPR      CB     CA     CG     .
 DPR      HB2    CB     .      .
 DPR      HB3    CB     .      .
 DPR      CG     CB     CD     .
 DPR      HG2    CG     .      .
 DPR      HG3    CG     .      .
 DPR      CD     CG     N      .
 DPR      HD2    CD     .      .
 DPR      HD3    CD     .      .
 DPR      N      CD     H      .
 DPR      H      N      .      END
 DPR      N      CA     .    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
 DPR      N      CA        single      1.450    0.020
 DPR      N      CD        single      1.450    0.020
 DPR      H      N         single      1.010    0.020
 DPR      CB     CA        single      1.524    0.020
 DPR      CA     C         single      1.500    0.020
 DPR      HA     CA        single      1.099    0.020
 DPR      CG     CB        single      1.524    0.020
 DPR      HB2    CB        single      1.092    0.020
 DPR      HB3    CB        single      1.092    0.020
 DPR      CD     CG        single      1.524    0.020
 DPR      HG2    CG        single      1.092    0.020
 DPR      HG3    CG        single      1.092    0.020
 DPR      HD2    CD        single      1.092    0.020
 DPR      HD3    CD        single      1.092    0.020
 DPR      O      C         deloc       1.250    0.020
 DPR      C      OXT       deloc       1.250    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
 DPR      OXT    C      O       123.000    3.000
 DPR      OXT    C      CA      118.500    3.000
 DPR      O      C      CA      118.500    3.000
 DPR      C      CA     HA      108.810    3.000
 DPR      C      CA     CB      109.470    3.000
 DPR      C      CA     N       111.600    3.000
 DPR      HA     CA     CB      108.340    3.000
 DPR      HA     CA     N       108.550    3.000
 DPR      CB     CA     N       110.000    3.000
 DPR      CA     CB     HB2     109.470    3.000
 DPR      CA     CB     HB3     109.470    3.000
 DPR      CA     CB     CG      111.000    3.000
 DPR      HB2    CB     HB3     107.900    3.000
 DPR      HB2    CB     CG      109.470    3.000
 DPR      HB3    CB     CG      109.470    3.000
 DPR      CB     CG     HG2     109.470    3.000
 DPR      CB     CG     HG3     109.470    3.000
 DPR      CB     CG     CD      111.000    3.000
 DPR      HG2    CG     HG3     107.900    3.000
 DPR      HG2    CG     CD      109.470    3.000
 DPR      HG3    CG     CD      109.470    3.000
 DPR      CG     CD     HD2     109.470    3.000
 DPR      CG     CD     HD3     109.470    3.000
 DPR      CG     CD     N       112.000    3.000
 DPR      HD2    CD     HD3     107.900    3.000
 DPR      HD2    CD     N       109.470    3.000
 DPR      HD3    CD     N       109.470    3.000
 DPR      CD     N      H       118.500    3.000
 DPR      CD     N      CA      120.000    3.000
 DPR      H      N      CA      118.500    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
 DPR      var_1    OXT    C      CA     CB        63.508   20.000   3
 DPR      var_2    C      CA     CB     CG       120.000   20.000   3
 DPR      var_3    CA     CB     CG     CD        30.000   20.000   3
 DPR      var_4    CB     CG     CD     N        -30.000   20.000   3
 DPR      var_5    CG     CD     N      CA        30.000   20.000   3
 DPR      var_6    CD     N      CA     C       -150.000   20.000   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
 DPR      chir_01  CA     N      CB     C         positiv
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
 DPR      plan-1    N         0.020
 DPR      plan-1    CA        0.020
 DPR      plan-1    CD        0.020
 DPR      plan-1    H         0.020
 DPR      plan-2    C         0.020
 DPR      plan-2    CA        0.020
 DPR      plan-2    O         0.020
 DPR      plan-2    OXT       0.020
# ------------------------------------------------------
