data_2li2_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2li2 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.0 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.748 0.309 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.9 m -160.25 66.94 2.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.53 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 158.99 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.024 2.482 . . . . 0.0 112.001 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.0 tp . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.779 0.324 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.594 ' HG1' ' N ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -79.8 159.42 71.4 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.606 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.594 ' N ' ' HG1' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.59 169.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 123.08 2.52 . . . . 0.0 111.97 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.532 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.229 0.023 0 CA-C-O 120.829 0.347 . . . . 0.0 110.632 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.2 m -160.36 74.07 2.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.575 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 -176.47 2.97 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 123.042 2.495 . . . . 0.0 112.037 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.559 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.9 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.785 0.326 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' A' ' 5' ' ' THR . 0.0 OUTLIER -160.05 67.26 2.76 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.574 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 129.77 9.03 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 123.077 2.518 . . . . 0.0 112.024 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.9 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.591 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.784 0.326 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.457 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -160.26 153.63 18.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.627 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.457 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.53 178.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 123.106 2.537 . . . . 0.0 112.012 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.53 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.777 0.322 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -159.72 156.74 25.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.588 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.51 105.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.994 2.463 . . . . 0.0 111.991 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.614 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.411 ' OG1' ' N ' ' A' ' 5' ' ' THR . 10.7 t . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.751 0.31 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.623 ' HG1' ' N ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -159.93 157.64 25.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.529 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.623 ' N ' ' HG1' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.61 172.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 123.038 2.492 . . . . 0.0 111.986 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.526 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.465 ' CG2' ' H ' ' A' ' 5' ' ' THR . 1.1 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.778 0.323 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.465 ' H ' ' CG2' ' A' ' 4' ' ' THR . 0.7 OUTLIER -79.79 154.86 75.8 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.548 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.54 155.09 0.28 Allowed 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 123.011 2.474 . . . . 0.0 111.943 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.44 ' CD2' ' H ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.599 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.4 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.773 0.321 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.72 154.08 75.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.666 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.66 170.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.991 2.461 . . . . 0.0 111.99 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 tp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.797 0.332 . . . . 0.0 110.593 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.78 172.11 10.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.561 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 118.27 5.1 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.022 2.481 . . . . 0.0 112.037 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.575 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.841 0.353 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.8 155.06 75.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.52 172.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 123.004 2.469 . . . . 0.0 112.017 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.517 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 3.9 mm? . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.765 0.317 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.7 154.82 76.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.564 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 126.73 7.26 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.991 2.461 . . . . 0.0 111.962 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.564 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.9 p . . . . . 0 N--CA 1.461 0.087 0 CA-C-O 120.884 0.373 . . . . 0.0 111.411 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.94 158.53 26.76 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.681 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -41.62 138.74 2.28 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.57 2.18 . . . . 0.0 111.441 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.418 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 9.4 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.493 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.5 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.738 0.304 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 m -160.17 131.28 3.84 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.592 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.51 144.2 3.36 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 123.061 2.508 . . . . 0.0 112.003 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.596 179.94 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.79 0.328 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.28 74.23 2.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.513 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.57 108.42 2.69 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 123.003 2.469 . . . . 0.0 111.952 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.532 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.0 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.759 0.314 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.7 OUTLIER -79.75 154.6 75.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.573 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -45.17 175.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.998 2.465 . . . . 0.0 112.087 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.616 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.771 0.32 . . . . 0.0 110.593 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.432 ' O ' ' CG2' ' A' ' 5' ' ' THR . 9.8 t -160.2 74.1 2.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.5 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.48 -167.61 0.45 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.012 2.474 . . . . 0.0 112.026 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.54 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.5 ' H ' ' HG1' ' A' ' 4' ' ' THR . 2.6 p . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.824 0.345 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.6 m -79.7 131.2 65.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.524 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 141.55 5.41 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.996 2.464 . . . . 0.0 111.981 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.518 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 3.9 mm? . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.679 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.864 0.364 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.74 154.81 75.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.585 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 107.94 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 123.018 2.479 . . . . 0.0 112.005 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.617 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.564 ' CG2' ' H ' ' A' ' 5' ' ' THR . 2.1 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.77 0.319 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.564 ' H ' ' CG2' ' A' ' 4' ' ' THR . 7.4 m -79.73 115.85 56.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.609 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.53 119.96 5.71 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.018 2.479 . . . . 0.0 111.959 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.544 -179.991 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.6 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.792 0.33 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.74 155.13 75.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.542 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 123.03 4.36 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 123.077 2.518 . . . . 0.0 111.982 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.782 0.325 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.63 159.52 71.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.566 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.69 159.66 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.028 2.485 . . . . 0.0 112.018 -179.846 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.2 tp . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.566 -179.968 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.799 0.333 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 m -160.27 131.23 3.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.55 99.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 123.003 2.469 . . . . 0.0 112.016 -179.56 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.575 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.232 0.137 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -159.01 156.42 26.48 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.106 -179.521 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -43.54 159.6 0.08 OUTLIER 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 123.055 2.503 . . . . 0.0 112.127 -179.73 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 C--N 1.329 -0.291 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.997 179.866 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.801 0.334 . . . . 0.0 110.557 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.88 76.06 2.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 178.27 7.58 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.04 2.493 . . . . 0.0 111.984 179.805 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.6 mt . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.575 179.939 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.819 0.342 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.8 159.52 71.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.565 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 129.0 8.77 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 123.043 2.495 . . . . 0.0 111.94 -179.76 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.6 179.993 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.81 0.338 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -160.38 74.67 2.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.488 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.59 117.39 4.76 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 123.02 2.48 . . . . 0.0 111.992 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 -179.994 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.752 0.31 . . . . 0.0 110.579 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.7 m -160.27 74.05 2.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.561 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.54 143.83 27.86 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.946 2.431 . . . . 0.0 111.973 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.557 180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.027 0.441 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -160.16 73.89 3.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.281 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -39.72 129.91 1.9 Allowed 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.13 2.553 . . . . 0.0 111.935 -179.763 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.689 -179.96 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.4 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.775 0.321 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.15 69.97 2.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.512 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 169.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.034 2.489 . . . . 0.0 112.056 -179.686 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 -179.925 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.792 0.329 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.78 154.05 75.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.543 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 166.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.009 2.472 . . . . 0.0 112.007 -179.688 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.508 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.43 ' O ' ' CG2' ' A' ' 5' ' ' THR . 69.3 p . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.761 0.315 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.43 ' CG2' ' O ' ' A' ' 4' ' ' THR . 20.8 p -158.77 67.01 3.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.577 -179.867 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.52 166.74 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 123.028 2.486 . . . . 0.0 111.981 -179.545 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.574 179.94 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.761 0.315 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.432 ' C ' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -159.88 76.11 2.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.478 -179.918 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 29.07 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.071 2.514 . . . . 0.0 111.998 179.808 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.432 ' H ' ' C ' ' A' ' 5' ' ' THR . 10.1 mp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.577 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.74 0.305 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -158.95 155.84 25.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.578 -179.906 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 172.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.059 2.506 . . . . 0.0 111.976 -179.739 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.602 -179.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.797 0.332 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.613 ' HG1' ' N ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -79.8 159.44 71.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.534 -179.999 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.613 ' N ' ' HG1' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.57 108.15 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.074 2.516 . . . . 0.0 111.958 -179.822 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.555 179.959 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.439 ' O ' ' CG2' ' A' ' 4' ' ' THR . 8.2 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.845 0.355 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -158.97 155.78 25.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.568 -179.899 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 132.88 9.98 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 123.03 2.487 . . . . 0.0 111.969 -179.743 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.984 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.4 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.787 0.327 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.405 ' O ' ' OG1' ' A' ' 5' ' ' THR . 0.0 OUTLIER -160.31 67.19 2.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.496 -179.973 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 113.51 0.48 Allowed 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.092 2.528 . . . . 0.0 111.996 -179.489 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.576 -179.946 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.417 ' O ' ' CG2' ' A' ' 4' ' ' THR . 9.0 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.826 0.346 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.8 155.15 75.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.54 179.956 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 171.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 123.014 2.476 . . . . 0.0 112.008 -179.756 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.51 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 98.1 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.862 0.363 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 m -160.2 74.07 2.97 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.579 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.57 122.19 6.79 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.961 2.44 . . . . 0.0 112.022 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.591 -179.993 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.791 0.329 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.93 76.08 2.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.603 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 103.37 1.72 Allowed 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 123.04 2.493 . . . . 0.0 112.011 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.576 179.967 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.827 0.346 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.78 155.17 75.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 125.35 6.14 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.977 2.451 . . . . 0.0 112.062 -179.794 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.8 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.58 -179.96 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.766 0.317 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.76 159.56 71.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 109.55 0.17 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.966 2.444 . . . . 0.0 111.98 -179.792 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.627 179.948 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.8 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.898 0.38 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 t -160.18 66.86 2.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.641 179.992 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 137.12 8.57 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.066 2.511 . . . . 0.0 112.008 -179.48 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.531 -179.997 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.836 0.351 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.76 154.05 75.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.512 -179.945 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 119.08 2.06 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.987 2.458 . . . . 0.0 111.984 -179.678 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.528 -179.991 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.8 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.82 0.343 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.68 159.32 71.92 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 179.971 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 108.0 0.12 Allowed 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.999 2.466 . . . . 0.0 111.981 -179.816 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.533 -179.989 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.4 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.751 0.31 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.94 76.14 2.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.54 -179.957 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 -169.15 0.61 Allowed 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 123.083 2.522 . . . . 0.0 111.998 179.792 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.517 -179.952 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.77 0.319 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.423 ' C ' ' H ' ' A' ' 7' ' ' LEU . 38.8 m -160.45 74.19 2.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.567 179.938 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.56 29.13 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 123.017 2.478 . . . . 0.0 111.986 179.964 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.423 ' H ' ' C ' ' A' ' 5' ' ' THR . 2.2 tp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.534 179.977 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.788 0.328 . . . . 0.0 110.596 . . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.68 155.21 75.99 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.547 179.964 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.71 110.68 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.035 2.49 . . . . 0.0 111.961 -179.752 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.607 -179.993 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.8 0.333 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.1 m -160.26 131.4 3.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.501 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.66 145.81 2.55 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.989 2.459 . . . . 0.0 111.998 -179.557 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.67 ' CD1' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.533 -179.982 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.867 0.365 . . . . 0.0 110.526 . . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.73 155.13 75.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.602 179.914 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 115.99 0.99 Allowed 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 123.03 2.487 . . . . 0.0 111.984 -179.746 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.557 -179.984 . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.6 p . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.728 0.299 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.48 165.98 17.06 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 -179.876 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.48 127.22 10.2 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 123.046 2.497 . . . . 0.0 111.993 179.516 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 pp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.502 -179.966 . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.883 0.373 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.77 155.19 75.78 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.557 179.993 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 167.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.002 2.468 . . . . 0.0 112.002 -179.774 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.527 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 8.1 mp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.57 -179.977 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.431 ' O ' ' CG2' ' A' ' 5' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.798 0.333 . . . . 0.0 110.605 . . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.431 ' CG2' ' O ' ' A' ' 4' ' ' THR . 20.6 p -158.83 68.43 3.4 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.575 -179.772 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 152.18 0.51 Allowed 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 123.011 2.474 . . . . 0.0 112.023 -179.545 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 -179.988 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.1 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.747 0.308 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 054 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.89 69.51 3.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.56 -179.959 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.49 148.54 1.27 Allowed 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 123.078 2.519 . . . . 0.0 112.038 -179.626 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.569 -179.962 . . . . . . . . 0 0 . 1 . 055 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.531 ' CG2' ' H ' ' A' ' 5' ' ' THR . 1.7 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.783 0.325 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.531 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.1 t -79.79 144.72 60.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.521 -179.956 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 127.77 7.94 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.058 2.505 . . . . 0.0 111.977 -179.681 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.613 179.959 . . . . . . . . 0 0 . 1 . 056 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 t . . . . . 0 C--O 1.233 0.184 0 CA-C-O 120.73 0.3 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 056 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -158.99 155.9 25.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.532 -179.887 . . . . . . . . 3 3 . 1 . 056 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.66 175.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.034 2.489 . . . . 0.0 111.997 -179.715 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.615 179.993 . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.5 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.77 0.319 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -160.25 67.06 2.66 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.535 179.982 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 171.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 123.021 2.48 . . . . 0.0 111.958 -179.469 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.59 -179.93 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.773 0.321 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 058 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.414 ' O ' ' CG2' ' A' ' 5' ' ' THR . 7.8 t -160.26 74.1 2.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.516 -179.961 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 -168.32 0.52 Allowed 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.064 2.509 . . . . 0.0 111.965 179.901 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 179.959 . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.79 0.329 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.0 m -160.27 131.29 3.8 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.585 179.994 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 107.57 0.11 Allowed 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.965 2.443 . . . . 0.0 111.952 -179.527 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.488 179.968 . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.781 0.324 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.9 69.63 3.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.572 -179.964 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 172.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.011 2.474 . . . . 0.0 112.02 -179.609 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.6 -179.996 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.603 ' CG2' ' H ' ' A' ' 5' ' ' THR . 3.3 m . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.864 0.364 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.603 ' H ' ' CG2' ' A' ' 4' ' ' THR . 81.5 m -160.29 66.98 2.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.612 -179.99 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 166.77 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.03 2.487 . . . . 0.0 111.957 -179.48 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.568 179.978 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.792 0.33 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 t -160.24 144.67 10.74 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 -179.992 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 113.49 0.47 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.938 2.425 . . . . 0.0 112.039 -179.653 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.97 . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.8 0.333 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -160.24 67.14 2.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.492 179.926 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 132.29 10.08 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.028 2.485 . . . . 0.0 111.957 -179.413 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.52 -179.968 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.781 0.324 . . . . 0.0 110.563 . . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.475 ' HG1' ' N ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -79.81 172.13 10.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.519 -179.946 . . . . . . . . 3 3 . 1 . 064 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.475 ' N ' ' HG1' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.45 120.59 5.99 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.987 2.458 . . . . 0.0 112.043 179.469 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.548 -179.941 . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.406 ' O ' ' CG2' ' A' ' 4' ' ' THR . 60.8 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.777 0.322 . . . . 0.0 110.504 . . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.24 74.06 2.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.504 179.994 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.4 168.7 24.0 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.016 2.477 . . . . 0.0 112.035 179.859 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.1 tp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 179.997 . . . . . . . . 0 0 . 1 . 066 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.813 0.339 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 066 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -158.95 155.81 25.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.549 -179.863 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.64 152.21 0.51 Allowed 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 123.069 2.513 . . . . 0.0 111.995 -179.753 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.516 -179.969 . . . . . . . . 0 0 . 1 . 067 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.441 ' CG2' ' H ' ' A' ' 5' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.848 0.356 . . . . 0.0 110.541 . . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.441 ' H ' ' CG2' ' A' ' 4' ' ' THR . 0.5 OUTLIER -159.93 157.86 26.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.496 179.988 . . . . . . . . 3 3 . 1 . 067 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 161.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 123.035 2.49 . . . . 0.0 112.029 -179.869 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.597 -179.969 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.792 0.329 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 068 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.525 ' H ' ' HG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -79.86 155.23 75.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.564 179.986 . . . . . . . . 3 3 . 1 . 068 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 166.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.961 2.44 . . . . 0.0 112.021 -179.761 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.52 -179.988 . . . . . . . . 0 0 . 1 . 069 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.0 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.782 0.325 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 069 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -79.82 159.47 71.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.567 -179.954 . . . . . . . . 3 3 . 1 . 069 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.53 174.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.023 2.482 . . . . 0.0 111.987 -179.811 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.571 179.96 . . . . . . . . 0 0 . 1 . 070 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.487 ' CG2' ' H ' ' A' ' 5' ' ' THR . 1.3 m . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.892 0.377 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.487 ' H ' ' CG2' ' A' ' 4' ' ' THR . 0.5 OUTLIER -159.95 157.83 25.96 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.535 179.983 . . . . . . . . 3 3 . 1 . 070 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 167.6 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.042 2.495 . . . . 0.0 111.933 -179.835 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.586 179.986 . . . . . . . . 0 0 . 1 . 071 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.805 0.336 . . . . 0.0 110.575 . . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -160.19 74.12 2.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.578 179.987 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.63 124.45 8.24 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.983 2.455 . . . . 0.0 111.985 179.974 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.552 -179.933 . . . . . . . . 0 0 . 1 . 072 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.776 0.322 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 072 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.22 74.13 2.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 -179.963 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.528 ' C ' ' CD1' ' A' ' 7' ' ' LEU . 3.3 Cg_exo -75.51 9.22 2.28 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.95 2.433 . . . . 0.0 111.959 -179.817 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.885 HD21 ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.516 178.489 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.6 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.81 0.338 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 073 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.8 154.09 75.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.522 -179.943 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 138.74 7.8 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 123.018 2.478 . . . . 0.0 112.023 -179.699 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.551 -179.984 . . . . . . . . 0 0 . 1 . 074 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.447 ' O ' ' CG2' ' A' ' 4' ' ' THR . 14.8 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.824 0.345 . . . . 0.0 110.545 . . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.76 159.52 71.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.549 -179.987 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 103.36 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.04 2.493 . . . . 0.0 111.995 -179.851 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 -179.985 . . . . . . . . 0 0 . 1 . 075 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.729 0.3 . . . . 0.0 110.614 . . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.68 115.91 57.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.98 0.419 . . . . 0.0 110.59 -179.977 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.53 147.35 31.9 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.059 2.506 . . . . 0.0 111.99 179.47 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 -179.946 . . . . . . . . 0 0 . 1 . 076 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.6 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.836 0.351 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 076 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.96 76.06 2.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.556 -179.967 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 113.79 3.83 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.059 2.506 . . . . 0.0 111.948 179.856 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.614 ' CD1' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.593 179.989 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.816 0.341 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 077 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.65 159.39 71.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.551 179.982 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 134.28 9.87 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.045 2.496 . . . . 0.0 111.968 -179.811 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 163.02 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 123.017 2.478 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.7 p -143.35 137.15 28.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.538 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.0 p -91.26 137.51 32.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.579 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.9 m -160.25 66.94 2.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.53 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 158.99 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.024 2.482 . . . . 0.0 112.001 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.0 tp -163.88 76.57 0.36 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -156.67 143.47 18.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.576 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.119 -1.613 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.54 162.46 35.72 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.996 2.464 . . . . 0.0 111.957 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.24 -39.55 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.553 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -148.53 75.5 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.566 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.594 ' HG1' ' N ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -79.8 159.42 71.4 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.606 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.594 ' N ' ' HG1' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.59 169.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 123.08 2.52 . . . . 0.0 111.97 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 mp -76.09 -48.56 20.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.532 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 ptmm? -83.35 -146.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.57 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.163 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 120.86 6.07 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 123.004 2.469 . . . . 0.0 112.007 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.8 177.04 5.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.519 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.24 75.1 6.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.632 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.2 m -160.36 74.07 2.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.575 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 -176.47 2.97 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 123.042 2.495 . . . . 0.0 112.037 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mp -76.06 -117.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.559 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.33 -80.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.633 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 120.21 -1.556 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 155.98 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 123.059 2.506 . . . . 0.0 112.086 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.69 -29.52 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.661 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.9 m -148.19 95.15 2.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.522 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' A' ' 5' ' ' THR . 0.0 OUTLIER -160.05 67.26 2.76 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.574 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 129.77 9.03 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 123.077 2.518 . . . . 0.0 112.024 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.9 mt -76.08 -3.7 37.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.591 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.34 144.19 29.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.563 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.153 -1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.5 102.28 1.58 Allowed 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 123.011 2.474 . . . . 0.0 112.0 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.7 p -96.04 116.54 29.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.527 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 t -92.47 55.14 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.613 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.457 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -160.26 153.63 18.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.627 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.457 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.53 178.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 123.106 2.537 . . . . 0.0 112.012 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.05 -56.06 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.53 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -83.35 -101.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.639 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.126 -1.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.48 173.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 123.011 2.474 . . . . 0.0 111.983 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.17 149.48 36.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.52 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.29 106.93 18.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.569 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -159.72 156.74 25.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.588 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.51 105.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.994 2.463 . . . . 0.0 111.991 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tp -76.03 -35.0 59.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.614 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -83.34 92.65 7.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.588 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 120.157 -1.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.413 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.138 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.9 Cg_endo -44.63 174.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 123.021 2.481 . . . . 0.0 111.981 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.91 -48.49 5.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.411 ' OG1' ' N ' ' A' ' 5' ' ' THR . 10.7 t -148.76 -150.28 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.559 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.623 ' HG1' ' N ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -159.93 157.64 25.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.529 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.623 ' N ' ' HG1' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.61 172.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 123.038 2.492 . . . . 0.0 111.986 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.84 22.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.526 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -83.39 -85.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.559 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 120.172 -1.58 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.421 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.23 0.073 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.9 Cg_endo -44.61 175.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.014 2.476 . . . . 0.0 111.949 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.82 -72.06 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.538 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.465 ' CG2' ' H ' ' A' ' 5' ' ' THR . 1.1 m -91.33 -144.61 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.537 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.465 ' H ' ' CG2' ' A' ' 4' ' ' THR . 0.7 OUTLIER -79.79 154.86 75.8 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.548 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.54 155.09 0.28 Allowed 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 123.011 2.474 . . . . 0.0 111.943 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.44 ' CD2' ' H ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -76.13 179.25 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.599 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.33 -54.91 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.572 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 120.251 -1.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 96.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 123.01 2.473 . . . . 0.0 111.95 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.6 p -143.87 155.01 43.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.552 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.4 p -91.28 127.49 36.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.72 154.08 75.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.666 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.66 170.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.991 2.461 . . . . 0.0 111.99 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 tp -163.85 136.53 5.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -156.6 -170.79 3.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.497 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.304 0 O-C-N 120.085 -1.635 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 166.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 123.018 2.479 . . . . 0.0 112.063 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.33 147.1 24.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.586 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.68 130.92 15.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.593 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.78 172.11 10.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.561 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 118.27 5.1 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.022 2.481 . . . . 0.0 112.037 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.8 mt -76.06 169.43 18.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.575 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -83.36 71.29 10.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.517 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.163 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.413 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.23 0.064 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.9 Cg_endo -44.64 175.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.963 2.442 . . . . 0.0 112.042 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.438 ' C ' ' HG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -96.39 148.37 22.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.523 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.438 ' HG1' ' C ' ' A' ' 3' ' ' THR . 4.6 m -148.71 86.19 1.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.547 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.8 155.06 75.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.52 172.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 123.004 2.469 . . . . 0.0 112.017 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.517 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 3.9 mm? -76.01 124.44 27.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.34 -38.6 21.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.63 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.309 0 O-C-N 120.145 -1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.501 ' HO3' ' HO4' ' A' ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.68 172.03 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 123.028 2.485 . . . . 0.0 111.968 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 62.1 p -95.96 134.27 39.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.5 p -91.25 125.38 36.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.59 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.7 154.82 76.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.564 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 126.73 7.26 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.991 2.461 . . . . 0.0 111.962 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt -76.14 143.69 41.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.564 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.66 -43.72 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.54 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.163 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -44.12 167.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 123.167 2.578 . . . . 0.0 111.975 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.7 p -96.15 128.81 43.39 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.623 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.9 p -91.53 155.42 18.41 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.411 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.94 158.53 26.76 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.681 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -41.62 138.74 2.28 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.57 2.18 . . . . 0.0 111.441 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.418 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 9.4 mp -76.06 -38.8 56.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.493 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -83.41 124.77 31.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.54 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 120.137 -1.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.51 152.92 0.4 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.011 2.474 . . . . 0.0 112.037 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.28 148.64 22.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.555 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.5 p -148.68 138.23 21.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.577 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 m -160.17 131.28 3.84 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.592 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.51 144.2 3.36 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 123.061 2.508 . . . . 0.0 112.003 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -163.78 21.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.596 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -156.61 98.65 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.524 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.171 -1.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 173.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.97 2.447 . . . . 0.0 111.955 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.87 -176.33 3.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -148.75 120.04 7.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.534 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.28 74.23 2.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.513 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.441 ' C ' ' H ' ' A' ' 8' ' ' LYS . 3.2 Cg_exo -75.57 108.42 2.69 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 123.003 2.469 . . . . 0.0 111.952 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tp -76.1 42.1 0.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.532 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.441 ' H ' ' C ' ' A' ' 6' ' ' PRO . 50.6 mttt -83.38 117.52 23.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.562 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 120.128 -1.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -43.51 94.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.152 2.568 . . . . 0.0 112.184 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.2 p -144.23 136.28 26.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.722 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.0 p -91.33 113.94 26.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.782 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.7 OUTLIER -79.75 154.6 75.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.573 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -45.17 175.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.998 2.465 . . . . 0.0 112.087 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -163.89 -46.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.616 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.64 113.33 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.535 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 120.046 -1.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 94.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 123.014 2.476 . . . . 0.0 111.97 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.1 p -143.94 132.23 21.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.552 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -91.5 135.39 33.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.593 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.432 ' O ' ' CG2' ' A' ' 5' ' ' THR . 9.8 t -160.2 74.1 2.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.5 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.48 -167.61 0.45 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.012 2.474 . . . . 0.0 112.026 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.89 131.35 3.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.54 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -156.18 93.16 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.567 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.112 -1.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.65 160.89 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 123.054 2.502 . . . . 0.0 111.96 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.14 170.84 15.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.533 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.5 ' H ' ' HG1' ' A' ' 4' ' ' THR . 2.6 p -91.23 92.91 8.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.574 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.437 ' OG1' ' O7 ' ' A' ' 10' ' ' A2G . 20.6 m -79.7 131.2 65.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.524 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 141.55 5.41 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.996 2.464 . . . . 0.0 111.981 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.518 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 3.9 mm? -76.08 -37.59 58.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.679 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.39 -13.24 55.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.543 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.407 0 O-C-N 120.172 -1.58 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.437 ' O7 ' ' OG1' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.407 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.14 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.55 174.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.011 2.474 . . . . 0.0 112.056 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.8 155.33 44.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.5 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 p -91.3 80.44 5.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.595 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.74 154.81 75.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.585 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 107.94 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 123.018 2.479 . . . . 0.0 112.005 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.52 -85.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.617 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -156.64 -23.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.615 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 120.063 -1.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.71 147.72 1.69 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.985 2.457 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.82 -30.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.612 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.618 ' HG1' ' C7 ' ' A' ' 10' ' ' A2G . 2.1 m -90.81 -144.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.619 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.564 ' H ' ' CG2' ' A' ' 4' ' ' THR . 7.4 m -79.73 115.85 56.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.609 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.53 119.96 5.71 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.018 2.479 . . . . 0.0 111.959 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mt -76.14 -67.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.544 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -83.35 157.51 22.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.565 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.137 -1.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.618 ' C7 ' ' HG1' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.422 ' C ' ' H ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.232 0.164 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.43 29.1 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.121 2.548 . . . . 0.0 111.954 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.422 ' H ' ' C ' ' A' ' 1' ' ' ACE . 51.7 p -96.08 134.35 39.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.557 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.6 p -91.27 122.45 33.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.56 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.74 155.13 75.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.542 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 123.03 4.36 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 123.077 2.518 . . . . 0.0 111.982 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.11 51.61 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -156.63 -7.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.547 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.125 -1.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.43 ' C ' ' H ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.124 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.55 29.12 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.996 2.464 . . . . 0.0 111.995 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.43 ' H ' ' C ' ' A' ' 1' ' ' ACE . 42.4 p -143.33 137.14 28.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.615 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.7 t -91.34 136.28 33.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.587 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.63 159.52 71.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.566 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.69 159.66 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.028 2.485 . . . . 0.0 112.018 -179.846 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.2 tp -76.06 -40.76 52.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.566 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 mmtm -83.35 -61.56 1.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.614 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 120.126 -1.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 150.48 0.79 Allowed 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 123.092 2.528 . . . . 0.0 111.939 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.2 p -143.32 132.53 23.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.615 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.37 93.47 9.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.59 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.429 ' O ' ' O7 ' ' A' ' 10' ' ' A2G . 20.9 m -160.27 131.23 3.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.55 99.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 123.003 2.469 . . . . 0.0 112.016 -179.56 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -163.89 115.14 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.575 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' CB ' ' HZ1' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -156.72 41.32 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.522 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.09 -1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.429 ' O7 ' ' O ' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -78.01 147.08 23.56 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 123.413 2.742 . . . . 0.0 112.458 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.9 p -96.04 149.09 21.98 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.763 179.527 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.6 m -91.29 134.29 34.7 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -179.65 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.435 ' HG1' ' C2 ' ' A' ' 10' ' ' A2G . 0.6 OUTLIER -159.01 156.42 26.48 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.106 -179.521 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -43.54 159.6 0.08 OUTLIER 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 123.055 2.503 . . . . 0.0 112.127 -179.73 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.508 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 2.0 tp -163.91 -142.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.997 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.508 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 2.2 tttm -83.34 -169.46 2.55 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.185 179.703 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.848 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.435 ' C2 ' ' HG1' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.66 107.46 0.1 Allowed 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.977 2.452 . . . . 0.0 111.968 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.3 p -95.97 179.37 5.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.561 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.75 108.36 3.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.557 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.88 76.06 2.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 178.27 7.58 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.04 2.493 . . . . 0.0 111.984 179.805 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.6 mt -76.03 -13.86 60.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.575 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -83.28 -68.99 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.618 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 120.174 -1.579 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 172.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.024 2.482 . . . . 0.0 111.938 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.13 61.07 1.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.555 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.1 p -91.3 144.3 25.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.8 159.52 71.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.565 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 129.0 8.77 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 123.043 2.495 . . . . 0.0 111.94 -179.76 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tp -163.9 72.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.6 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -156.66 125.05 5.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.554 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 120.191 -1.568 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 165.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.017 2.478 . . . . 0.0 111.999 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.0 p -143.52 124.76 14.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.548 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.3 m -92.15 62.72 4.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -160.38 74.67 2.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.488 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.59 117.39 4.76 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 123.02 2.48 . . . . 0.0 111.992 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt -76.14 60.8 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.2 tttt -156.62 -64.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.6 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 120.172 -1.58 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.66 94.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.938 2.425 . . . . 0.0 112.041 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.5 p -143.88 152.58 41.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.506 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.36 139.35 30.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.579 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.7 m -160.27 74.05 2.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.561 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.54 143.83 27.86 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.946 2.431 . . . . 0.0 111.973 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.14 101.76 5.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.557 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.501 ' HZ2' ' CB ' ' A' ' 8' ' ' LYS . 4.4 mtpm? -83.36 -178.83 7.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.529 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 120.077 -1.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -43.65 153.8 0.24 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.997 2.465 . . . . 0.0 112.121 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.5 p -95.84 126.92 41.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.025 0.441 . . . . 0.0 110.571 -179.665 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.28 138.3 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.059 179.903 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.41 ' CG2' ' O7 ' ' A' ' 10' ' ' A2G . 0.5 OUTLIER -160.16 73.89 3.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.281 179.918 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -39.72 129.91 1.9 Allowed 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.13 2.553 . . . . 0.0 111.935 -179.763 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -76.07 129.53 36.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.689 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.64 -13.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.534 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 120.162 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.41 ' O7 ' ' CG2' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 103.09 1.68 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.034 2.489 . . . . 0.0 112.03 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.88 165.16 12.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.4 m -91.11 64.38 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 10' ' ' A2G . 0.0 OUTLIER -160.15 69.97 2.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.512 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 169.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.034 2.489 . . . . 0.0 112.056 -179.686 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.87 79.97 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -83.36 151.85 25.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.565 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 120.118 -1.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.44 ' O ' ' OG1' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.051 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.64 158.88 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.983 2.455 . . . . 0.0 112.009 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.4 p -143.44 24.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.545 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 t -90.55 150.99 21.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.532 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.78 154.05 75.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.543 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 166.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.009 2.472 . . . . 0.0 112.007 -179.688 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -163.89 140.75 6.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.508 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.68 -173.08 4.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.587 179.949 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 120.152 -1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 167.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.99 2.46 . . . . 0.0 111.975 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.8 p -143.39 135.7 27.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.598 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.43 ' O ' ' CG2' ' A' ' 5' ' ' THR . 69.3 p -91.29 120.06 31.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 -179.94 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.43 ' CG2' ' O ' ' A' ' 4' ' ' THR . 20.8 p -158.77 67.01 3.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.577 -179.867 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.52 166.74 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 123.028 2.486 . . . . 0.0 111.981 -179.545 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -163.88 35.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.574 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.69 35.31 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.515 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.308 0 O-C-N 120.051 -1.656 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.431 ' C ' ' H ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.56 29.16 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.023 2.482 . . . . 0.0 111.961 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.431 ' H ' ' C ' ' A' ' 1' ' ' ACE . 41.8 p -143.35 149.99 38.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.531 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 m -91.33 141.15 29.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.432 ' C ' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -159.88 76.11 2.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.478 -179.918 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 29.07 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.071 2.514 . . . . 0.0 111.998 179.808 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.432 ' H ' ' C ' ' A' ' 5' ' ' THR . 10.1 mp -76.07 79.41 2.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.577 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -83.4 54.08 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.539 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 120.072 -1.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.427 ' O7 ' ' OG1' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 165.44 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 123.005 2.47 . . . . 0.0 112.052 . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 74.5 p -95.83 130.86 42.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 -179.943 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.25 145.35 24.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.601 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -158.95 155.84 25.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.578 -179.906 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 172.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.059 2.506 . . . . 0.0 111.976 -179.739 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.81 26.72 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.602 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.9 tttm -83.31 -152.9 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.545 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 120.107 -1.621 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 119.71 2.37 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.044 2.496 . . . . 0.0 111.919 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.8 p -95.85 170.71 9.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.602 179.934 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.2 t -148.7 117.38 6.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.599 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.613 ' HG1' ' N ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -79.8 159.44 71.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.534 -179.999 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.613 ' N ' ' HG1' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.57 108.15 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.074 2.516 . . . . 0.0 111.958 -179.822 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tp -163.89 -36.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.555 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.61 52.56 0.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.563 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 120.12 -1.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 108.96 2.82 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.004 2.469 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.04 -168.78 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.587 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.439 ' O ' ' CG2' ' A' ' 4' ' ' THR . 8.2 t -148.73 97.95 2.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.54 179.943 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -158.97 155.78 25.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.568 -179.899 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 132.88 9.98 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 123.03 2.487 . . . . 0.0 111.969 -179.743 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 tp -163.97 129.83 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -155.73 -79.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.596 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.069 -1.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 93.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.052 2.501 . . . . 0.0 111.996 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.9 p -143.84 178.09 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.525 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.4 m -148.63 93.51 2.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.611 -179.962 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 10' ' ' A2G . 0.0 OUTLIER -160.31 67.19 2.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.496 -179.973 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 113.51 0.48 Allowed 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.092 2.528 . . . . 0.0 111.996 -179.489 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tp -163.85 117.83 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.576 -179.946 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -156.67 98.21 1.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.586 -179.993 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.13 -1.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.474 ' O ' ' CG2' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 155.67 0.26 Allowed 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.964 2.443 . . . . 0.0 112.032 . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 62.6 p -95.87 125.71 40.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.588 -179.968 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.417 ' O ' ' CG2' ' A' ' 4' ' ' THR . 9.0 t -92.16 77.3 5.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.508 -179.936 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.436 ' OG1' ' O7 ' ' A' ' 10' ' ' A2G . 0.7 OUTLIER -79.8 155.15 75.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.54 179.956 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 171.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 123.014 2.476 . . . . 0.0 112.008 -179.756 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.93 92.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.51 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -155.53 -0.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.576 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 120.164 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.436 ' O7 ' ' OG1' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 164.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.062 2.508 . . . . 0.0 111.952 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.83 -171.08 3.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.535 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 98.1 m -148.69 84.75 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 m -160.2 74.07 2.97 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.579 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.57 122.19 6.79 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.961 2.44 . . . . 0.0 112.022 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -76.11 -41.14 51.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.591 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.38 134.24 34.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.506 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.069 -1.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 172.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 123.022 2.481 . . . . 0.0 111.996 . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.0 p -143.29 -178.31 5.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.578 -179.936 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -148.67 128.67 13.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.606 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.93 76.08 2.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.603 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 103.37 1.72 Allowed 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 123.04 2.493 . . . . 0.0 112.011 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.07 135.52 39.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.576 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.32 -147.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.605 179.946 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.122 -1.611 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.65 160.28 0.11 Allowed 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 123.071 2.514 . . . . 0.0 111.951 . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.5 p -95.82 173.76 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.592 179.961 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 t -148.76 84.78 1.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 179.996 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.78 155.17 75.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.495 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.8 Cg_endo -44.61 125.35 6.14 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.977 2.451 . . . . 0.0 112.062 -179.794 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.8 mt -76.06 34.56 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.58 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.495 ' H ' ' C ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -156.63 103.71 2.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.552 179.981 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 120.056 -1.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 159.96 0.11 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.066 2.51 . . . . 0.0 111.99 . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.86 -44.49 7.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.608 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.7 -178.39 6.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.586 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.76 159.56 71.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 109.55 0.17 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.966 2.444 . . . . 0.0 111.98 -179.792 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -163.88 130.65 3.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.627 179.948 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.63 179.4 9.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.51 179.982 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.173 -1.579 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 93.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 123.039 2.493 . . . . 0.0 112.033 . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.0 p -143.8 133.88 24.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.563 179.99 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.8 p -91.3 136.13 33.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.568 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.47 ' CG2' ' O7 ' ' A' ' 10' ' ' A2G . 1.1 t -160.18 66.86 2.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.641 179.992 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 137.12 8.57 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.066 2.511 . . . . 0.0 112.008 -179.48 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.7 mt -76.05 -25.21 55.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.531 -179.997 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.42 44.35 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.529 -179.946 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 120.177 -1.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.47 ' O7 ' ' CG2' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.064 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 152.53 0.47 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 123.01 2.474 . . . . 0.0 111.99 . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.9 p -95.91 151.78 19.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.527 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -91.34 137.44 32.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.54 -179.958 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.76 154.05 75.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.512 -179.945 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 119.08 2.06 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.987 2.458 . . . . 0.0 111.984 -179.678 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mp -76.13 -174.45 2.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.528 -179.991 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -83.41 -119.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.533 -179.971 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 120.168 -1.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 106.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.995 2.463 . . . . 0.0 111.96 . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.14 -173.88 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.578 179.951 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.8 m -91.08 90.11 7.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.515 -179.95 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.438 ' CG2' ' O7 ' ' A' ' 10' ' ' A2G . 0.6 OUTLIER -79.68 159.32 71.92 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 179.971 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 108.0 0.12 Allowed 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.999 2.466 . . . . 0.0 111.981 -179.816 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 mt -76.18 -31.77 58.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.533 -179.989 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -83.4 -66.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.531 180.0 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.183 -1.573 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.438 ' O7 ' ' CG2' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.414 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.23 0.06 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.5 174.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 123.078 2.519 . . . . 0.0 111.962 . . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.12 144.47 31.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.532 179.969 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.4 m -148.68 62.91 1.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.585 179.909 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.94 76.14 2.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.54 -179.957 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 -169.15 0.61 Allowed 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 123.083 2.522 . . . . 0.0 111.998 179.792 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -76.05 101.53 5.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.517 -179.952 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -83.31 37.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.592 179.921 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.104 -1.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 128.57 8.5 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.096 2.531 . . . . 0.0 111.95 . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.05 -21.44 17.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.521 -179.939 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 m -148.28 39.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 179.967 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.423 ' C ' ' H ' ' A' ' 7' ' ' LEU . 38.8 m -160.45 74.19 2.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.567 179.938 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.56 29.13 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 123.017 2.478 . . . . 0.0 111.986 179.964 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.48 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 2.2 tp -163.88 -145.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.534 179.977 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.48 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 5.0 tptt -156.69 161.26 39.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.619 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.108 -1.62 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.436 ' C ' ' H ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.125 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 29.12 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.997 2.465 . . . . 0.0 111.967 . . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.436 ' H ' ' C ' ' A' ' 1' ' ' ACE . 69.1 p -95.89 127.52 41.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.593 179.994 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.71 80.15 5.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.596 179.977 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.433 ' OG1' ' O7 ' ' A' ' 10' ' ' A2G . 0.7 OUTLIER -79.68 155.21 75.99 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.547 179.964 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.71 110.68 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.035 2.49 . . . . 0.0 111.961 -179.752 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.13 -39.73 54.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.607 -179.993 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.75 152.66 27.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.534 -179.983 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 120.135 -1.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.433 ' O7 ' ' OG1' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.054 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -48.31 100.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 123.046 2.497 . . . . 0.0 112.577 . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.3 p -143.43 178.39 7.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.339 -179.951 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.8 m -148.7 127.59 12.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.549 179.96 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.1 m -160.26 131.4 3.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.501 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.434 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.8 Cg_endo -44.66 145.81 2.55 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.989 2.459 . . . . 0.0 111.998 -179.557 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.67 ' CD1' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -76.22 15.22 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.533 -179.982 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' A' ' 6' ' ' PRO . 5.9 ptpt -156.68 149.11 23.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 120.112 -1.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 94.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 123.065 2.51 . . . . 0.0 111.999 . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.6 p -143.86 -175.06 4.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.55 179.944 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.61 129.2 14.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.526 -179.988 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.73 155.13 75.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.602 179.914 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 115.99 0.99 Allowed 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 123.03 2.487 . . . . 0.0 111.984 -179.746 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.09 53.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.557 -179.984 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -83.35 -119.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.614 179.954 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.408 0 O-C-N 120.184 -1.573 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 154.32 0.33 Allowed 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 123.058 2.505 . . . . 0.0 112.026 . . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.0 p -95.84 133.96 39.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.564 -179.962 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.6 p -91.29 150.32 21.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.572 -179.995 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.48 165.98 17.06 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 -179.876 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.48 127.22 10.2 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 123.046 2.497 . . . . 0.0 111.993 179.516 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 pp -76.14 154.25 35.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.502 -179.966 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -156.65 -33.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.562 179.909 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.406 0 O-C-N 120.151 -1.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 96.69 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.999 2.466 . . . . 0.0 111.979 . . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.7 p -143.86 144.65 31.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.609 179.93 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.25 129.58 37.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.58 179.943 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.77 155.19 75.78 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.557 179.993 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 167.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.002 2.468 . . . . 0.0 112.002 -179.774 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.527 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 8.1 mp -76.15 -83.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.57 -179.977 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -83.38 -21.35 33.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.558 179.972 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.206 -1.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 166.09 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 123.06 2.506 . . . . 0.0 112.023 . . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.8 -57.56 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.526 -179.987 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.431 ' O ' ' CG2' ' A' ' 5' ' ' THR . 0.2 OUTLIER -148.73 -150.04 0.33 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.605 -179.984 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.431 ' CG2' ' O ' ' A' ' 4' ' ' THR . 20.6 p -158.83 68.43 3.4 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.575 -179.772 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 152.18 0.51 Allowed 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 123.011 2.474 . . . . 0.0 112.023 -179.545 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.82 22.0 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 -179.988 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -83.36 -75.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.585 179.97 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 120.137 -1.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.474 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.51 86.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.05 2.5 . . . . 0.0 112.003 . . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 1' ' ' ACE . 76.8 p -144.42 29.74 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.512 179.933 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.1 m -90.63 109.68 20.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.552 179.963 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.89 69.51 3.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.56 -179.959 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.49 148.54 1.27 Allowed 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 123.078 2.519 . . . . 0.0 112.038 -179.626 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt -76.01 -30.13 58.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.569 -179.962 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.431 ' CD ' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -83.42 -15.13 50.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.552 -179.967 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 120.077 -1.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.057 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 125.02 5.87 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.007 2.471 . . . . 0.0 111.997 . . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.87 -26.23 15.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.512 -179.953 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.531 ' CG2' ' H ' ' A' ' 5' ' ' THR . 1.7 m -91.3 -144.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.572 179.958 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.531 ' H ' ' CG2' ' A' ' 4' ' ' THR . 1.1 t -79.79 144.72 60.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.521 -179.956 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 127.77 7.94 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.058 2.505 . . . . 0.0 111.977 -179.681 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.3 mt -76.07 172.81 12.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.613 179.959 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.29 -22.9 32.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.592 179.967 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.129 -1.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.429 ' O7 ' ' OG1' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 108.08 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.094 2.529 . . . . 0.0 111.936 . . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.13 -57.14 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.575 179.98 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 t -148.64 49.24 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 -179.993 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -158.99 155.9 25.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.532 -179.887 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.66 175.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.034 2.489 . . . . 0.0 111.997 -179.715 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.04 167.89 21.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.615 179.993 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -83.3 91.29 7.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.596 179.989 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.191 -1.568 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.463 ' HO4' ' H15' ' A' ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 163.67 0.06 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.992 2.461 . . . . 0.0 112.01 . . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.16 -40.91 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.56 -179.994 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.5 p -91.51 21.96 4.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.554 179.875 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -160.25 67.06 2.66 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.535 179.982 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 171.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 123.021 2.48 . . . . 0.0 111.958 -179.469 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.87 -178.46 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.59 -179.93 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -156.68 165.13 37.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.548 180.0 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.176 -1.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 135.0 17.62 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 123.03 2.487 . . . . 0.0 112.028 . . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.06 167.0 11.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.606 -179.991 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 p -91.34 83.75 5.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.578 179.994 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.414 ' O ' ' CG2' ' A' ' 5' ' ' THR . 7.8 t -160.26 74.1 2.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.516 -179.961 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 -168.32 0.52 Allowed 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.064 2.509 . . . . 0.0 111.965 179.901 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tt -163.93 107.55 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 179.959 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.63 112.28 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.53 -179.925 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.146 -1.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.411 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.135 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.53 174.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.028 2.485 . . . . 0.0 112.029 . . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.5 p -95.88 142.21 28.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.562 179.984 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.2 p -91.29 143.88 26.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.57 179.955 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.0 m -160.27 131.29 3.8 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.585 179.994 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 107.57 0.11 Allowed 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.965 2.443 . . . . 0.0 111.952 -179.527 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tp -163.88 -37.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.488 179.968 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' CD ' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -83.36 139.89 32.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.541 -179.895 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.142 -1.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 161.29 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.001 2.467 . . . . 0.0 112.025 . . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.14 -39.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.577 -179.988 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.2 m -91.75 23.56 3.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.561 179.964 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.9 69.63 3.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.572 -179.964 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 172.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.011 2.474 . . . . 0.0 112.02 -179.609 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.9 -34.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.6 -179.996 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -83.33 173.75 11.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.583 179.934 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 120.051 -1.655 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.58 128.11 10.79 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 123.036 2.491 . . . . 0.0 111.926 . . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.13 -34.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.497 -179.948 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.603 ' CG2' ' H ' ' A' ' 5' ' ' THR . 3.3 m -90.92 -142.06 0.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 179.827 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.603 ' H ' ' CG2' ' A' ' 4' ' ' THR . 81.5 m -160.29 66.98 2.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.612 -179.99 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 166.77 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.03 2.487 . . . . 0.0 111.957 -179.48 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.96 88.14 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.568 179.978 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -83.37 -4.6 58.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 179.991 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.134 -1.604 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.21 132.66 9.01 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.98 2.453 . . . . 0.0 112.026 . . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.441 ' C ' ' HG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -96.53 149.31 21.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.68 -179.857 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.441 ' HG1' ' C ' ' A' ' 3' ' ' THR . 7.4 m -148.65 128.61 13.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.433 -179.921 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 t -160.24 144.67 10.74 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 -179.992 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 113.49 0.47 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.938 2.425 . . . . 0.0 112.039 -179.653 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mp -76.09 99.23 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.97 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -156.66 142.89 18.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.531 -179.995 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 120.088 -1.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.03 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.78 175.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.939 2.426 . . . . 0.0 112.045 . . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.83 -169.91 3.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.53 179.806 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -148.79 85.39 1.49 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.601 179.838 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -160.24 67.14 2.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.492 179.926 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 132.29 10.08 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.028 2.485 . . . . 0.0 111.957 -179.413 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.19 103.99 6.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.52 -179.968 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -156.61 -122.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.595 179.968 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.12 -1.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 105.87 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.032 2.488 . . . . 0.0 111.964 . . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.86 -77.03 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.573 179.988 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.28 -175.55 4.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.563 179.978 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.475 ' HG1' ' N ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -79.81 172.13 10.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.519 -179.946 . . . . . . . . 3 3 . 1 . 064 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.475 ' N ' ' HG1' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.45 120.59 5.99 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.987 2.458 . . . . 0.0 112.043 179.469 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.9 mt -76.12 165.79 24.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.548 -179.941 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -156.7 15.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.529 179.969 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 120.15 -1.594 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 168.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.077 2.518 . . . . 0.0 111.98 . . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.47 154.64 17.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.629 179.962 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.406 ' O ' ' CG2' ' A' ' 4' ' ' THR . 60.8 m -148.81 44.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.504 179.996 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.24 74.06 2.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.504 179.994 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.4 168.7 24.0 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.016 2.477 . . . . 0.0 112.035 179.859 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.1 tp -76.18 -39.92 53.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 179.997 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -83.32 103.83 13.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.577 179.956 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 120.11 -1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 101.76 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 123.026 2.484 . . . . 0.0 112.024 . . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.87 -33.48 12.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.618 179.98 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 t -91.66 22.05 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 179.874 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -158.95 155.81 25.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.549 -179.863 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.414 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.8 Cg_endo -44.64 152.21 0.51 Allowed 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 123.069 2.513 . . . . 0.0 111.995 -179.753 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mp -76.12 11.78 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.516 -179.969 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.414 ' H ' ' C ' ' A' ' 6' ' ' PRO . 17.8 mtpp -83.36 -175.65 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 -179.985 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 120.162 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.51 165.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.075 2.517 . . . . 0.0 111.954 . . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.84 -71.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 -179.994 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.441 ' CG2' ' H ' ' A' ' 5' ' ' THR . 1.0 OUTLIER -91.29 -145.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.541 -179.988 . . . . . . . . 3 3 . 1 . 067 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.441 ' H ' ' CG2' ' A' ' 4' ' ' THR . 0.5 OUTLIER -159.93 157.86 26.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.496 179.988 . . . . . . . . 3 3 . 1 . 067 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 161.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 123.035 2.49 . . . . 0.0 112.029 -179.869 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.11 104.01 6.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.597 -179.969 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.36 -33.04 25.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.553 -179.976 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 120.111 -1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.5 172.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 123.07 2.513 . . . . 0.0 112.057 . . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.2 p -95.97 179.14 5.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.529 -179.999 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.7 m -148.72 92.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.546 -179.996 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.525 ' H ' ' HG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -79.86 155.23 75.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.564 179.986 . . . . . . . . 3 3 . 1 . 068 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 166.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.961 2.44 . . . . 0.0 112.021 -179.761 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mt -76.1 -49.98 15.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.52 -179.988 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.41 -177.31 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 -179.907 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 120.145 -1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 109.11 0.15 Allowed 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 123.023 2.482 . . . . 0.0 111.969 . . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.77 165.78 12.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 179.976 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.0 p -91.23 103.47 16.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.621 179.942 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -79.82 159.47 71.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.567 -179.954 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.53 174.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.023 2.482 . . . . 0.0 111.987 -179.811 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.503 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 2.4 tp -163.89 -132.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.571 179.96 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.503 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 23.9 tptt -83.42 39.65 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.509 -179.962 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.125 -1.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.55 145.58 2.57 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 123.049 2.5 . . . . 0.0 111.976 . . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.79 -26.7 15.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.541 179.993 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.487 ' CG2' ' H ' ' A' ' 5' ' ' THR . 1.3 m -91.27 -145.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.523 -179.938 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.487 ' H ' ' CG2' ' A' ' 4' ' ' THR . 0.5 OUTLIER -159.95 157.83 25.96 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.535 179.983 . . . . . . . . 3 3 . 1 . 070 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 167.6 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.042 2.495 . . . . 0.0 111.933 -179.835 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 tp -163.93 95.89 0.8 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.586 179.986 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.66 -20.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.566 -179.974 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 120.191 -1.568 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.47 ' C7 ' ' OG1' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 172.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.024 2.482 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.27 -167.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.563 -179.997 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.63 126.58 11.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.575 179.967 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -160.19 74.12 2.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.578 179.987 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.63 124.45 8.24 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.983 2.455 . . . . 0.0 111.985 179.974 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -76.17 -47.39 24.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.552 -179.933 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.8 tttt -156.62 104.66 2.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 -179.962 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 120.124 -1.61 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 072 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 072 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 162.76 0.07 OUTLIER 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 123.034 2.489 . . . . 0.0 112.034 . . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.13 107.34 4.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.563 -179.989 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.9 m -91.27 72.16 6.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.603 179.981 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.22 74.13 2.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 -179.963 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.528 ' C ' ' CD1' ' A' ' 7' ' ' LEU . 3.3 Cg_exo -75.51 9.22 2.28 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.95 2.433 . . . . 0.0 111.959 -179.817 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.885 HD21 ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -161.19 66.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.516 178.489 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.674 ' H ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -82.12 -26.6 33.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.51 179.861 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 120.127 -1.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 072 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.54 -161.33 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 123.05 2.5 . . . . 0.0 112.034 . . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.13 160.51 14.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.651 179.918 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.6 p -91.29 28.64 1.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 179.99 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.8 154.09 75.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.522 -179.943 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 138.74 7.8 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 123.018 2.478 . . . . 0.0 112.023 -179.699 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -76.08 167.5 21.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.551 -179.984 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -83.36 -0.58 50.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.555 179.99 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 120.076 -1.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 074 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 074 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 162.96 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.973 2.449 . . . . 0.0 112.001 . . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.22 -35.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.568 -179.988 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.447 ' O ' ' CG2' ' A' ' 4' ' ' THR . 14.8 t -148.34 56.31 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 179.913 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.76 159.52 71.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.549 -179.987 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 103.36 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.04 2.493 . . . . 0.0 111.995 -179.851 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mt -76.17 140.88 41.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 -179.985 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -83.37 2.63 35.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 -179.983 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.14 -1.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 074 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.43 163.29 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 123.016 2.477 . . . . 0.0 112.008 . . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.0 p -143.44 179.46 7.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.591 -179.806 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.69 129.23 13.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.614 179.943 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.68 115.91 57.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.98 0.419 . . . . 0.0 110.59 -179.977 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.53 147.35 31.9 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.059 2.506 . . . . 0.0 111.99 179.47 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt -76.08 149.93 37.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 -179.946 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.41 -18.33 39.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.603 179.928 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.134 -1.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.55 -162.83 0.17 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.013 2.476 . . . . 0.0 111.973 . . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -143.3 -177.77 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.603 -179.969 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.6 m -148.7 112.73 5.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.501 -179.982 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.96 76.06 2.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.556 -179.967 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 113.79 3.83 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.059 2.506 . . . . 0.0 111.948 179.856 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.614 ' CD1' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -76.06 163.88 26.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.593 179.989 . . . . . . . . 3 3 . 1 . 076 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -156.58 56.0 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.551 -179.979 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.105 -1.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 077 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 077 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 148.42 1.35 Allowed 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.017 2.478 . . . . 0.0 112.013 . . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.16 -174.91 4.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.993 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.0 p -91.15 92.14 8.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.546 -179.936 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.465 ' CG2' ' O7 ' ' A' ' 10' ' ' A2G . 0.6 OUTLIER -79.65 159.39 71.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.551 179.982 . . . . . . . . 3 3 . 1 . 077 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 134.28 9.87 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.045 2.496 . . . . 0.0 111.968 -179.811 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -163.88 35.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 179.979 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -156.65 17.28 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.535 179.999 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 120.128 -1.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 077 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.465 ' O7 ' ' CG2' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.0 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.748 0.309 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.9 m -160.25 66.94 2.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.53 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 158.99 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.024 2.482 . . . . 0.0 112.001 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.409 ' HA ' HD12 ' A' ' 7' ' ' LEU . 32.0 tp . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.779 0.324 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.8 159.42 71.4 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.606 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 169.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 123.08 2.52 . . . . 0.0 111.97 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 7' ' ' LEU . 10.8 mp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.532 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.229 0.023 0 CA-C-O 120.829 0.347 . . . . 0.0 110.632 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.2 m -160.36 74.07 2.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.575 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 -176.47 2.97 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 123.042 2.495 . . . . 0.0 112.037 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.559 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.9 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.785 0.326 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' A' ' 5' ' ' THR . 0.0 OUTLIER -160.05 67.26 2.76 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.574 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 129.77 9.03 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 123.077 2.518 . . . . 0.0 112.024 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.9 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.591 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.784 0.326 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.457 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -160.26 153.63 18.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.627 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.457 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.53 178.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 123.106 2.537 . . . . 0.0 112.012 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.53 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.777 0.322 . . . . 0.0 110.569 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 4' ' ' THR . 0.1 OUTLIER -159.72 156.74 25.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.588 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.51 105.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.994 2.463 . . . . 0.0 111.991 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.614 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.411 ' OG1' ' N ' ' A' ' 5' ' ' THR . 10.7 t . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.751 0.31 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.411 ' N ' ' OG1' ' A' ' 4' ' ' THR . 0.5 OUTLIER -159.93 157.64 25.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.529 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 172.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 123.038 2.492 . . . . 0.0 111.986 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.443 ' C ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.526 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.581 HG22 ' H ' ' A' ' 5' ' ' THR . 1.1 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.778 0.323 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.581 ' H ' HG22 ' A' ' 4' ' ' THR . 0.7 OUTLIER -79.79 154.86 75.8 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.548 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.54 155.09 0.28 Allowed 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 123.011 2.474 . . . . 0.0 111.943 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.594 HD23 ' H ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.599 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.4 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.773 0.321 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.72 154.08 75.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.666 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.66 170.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.991 2.461 . . . . 0.0 111.99 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 tp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.797 0.332 . . . . 0.0 110.593 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.414 ' H ' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -79.78 172.11 10.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.561 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 118.27 5.1 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.022 2.481 . . . . 0.0 112.037 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.575 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.841 0.353 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.8 155.06 75.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.52 172.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 123.004 2.469 . . . . 0.0 112.017 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.544 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.9 mm? . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.765 0.317 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.7 154.82 76.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.564 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 126.73 7.26 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.991 2.461 . . . . 0.0 111.962 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.564 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.9 p . . . . . 0 N--CA 1.461 0.087 0 CA-C-O 120.884 0.373 . . . . 0.0 111.411 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.94 158.53 26.76 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.681 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -41.62 138.74 2.28 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.57 2.18 . . . . 0.0 111.441 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 7' ' ' LEU . 9.4 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.493 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.5 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.738 0.304 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 m -160.17 131.28 3.84 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.592 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.51 144.2 3.36 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 123.061 2.508 . . . . 0.0 112.003 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.596 179.94 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.79 0.328 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.28 74.23 2.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.513 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.57 108.42 2.69 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 123.003 2.469 . . . . 0.0 111.952 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.532 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.0 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.759 0.314 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.7 OUTLIER -79.75 154.6 75.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.573 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -45.17 175.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.998 2.465 . . . . 0.0 112.087 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.616 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.771 0.32 . . . . 0.0 110.593 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 5' ' ' THR . 9.8 t -160.2 74.1 2.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.5 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.48 -167.61 0.45 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.012 2.474 . . . . 0.0 112.026 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.54 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.824 0.345 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.6 m -79.7 131.2 65.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.524 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 141.55 5.41 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.996 2.464 . . . . 0.0 111.981 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.9 mm? . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.679 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.864 0.364 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.74 154.81 75.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.585 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 107.94 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 123.018 2.479 . . . . 0.0 112.005 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.617 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.736 HG22 ' H ' ' A' ' 5' ' ' THR . 2.1 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.77 0.319 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.736 ' H ' HG22 ' A' ' 4' ' ' THR . 7.4 m -79.73 115.85 56.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.609 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.53 119.96 5.71 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.018 2.479 . . . . 0.0 111.959 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.544 -179.991 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.6 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.792 0.33 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.74 155.13 75.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.542 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 123.03 4.36 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 123.077 2.518 . . . . 0.0 111.982 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.547 HD23 ' H ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.782 0.325 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.63 159.52 71.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.566 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.69 159.66 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.028 2.485 . . . . 0.0 112.018 -179.846 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 7' ' ' LEU . 32.2 tp . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.566 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.799 0.333 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 m -160.27 131.23 3.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.55 99.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 123.003 2.469 . . . . 0.0 112.016 -179.56 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.575 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 5' ' ' THR . 3.6 m . . . . . 0 C--O 1.232 0.137 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -159.01 156.42 26.48 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.106 -179.521 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -43.54 159.6 0.08 OUTLIER 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 123.055 2.503 . . . . 0.0 112.127 -179.73 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 C--N 1.329 -0.291 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.997 179.866 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.801 0.334 . . . . 0.0 110.557 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.88 76.06 2.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 178.27 7.58 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.04 2.493 . . . . 0.0 111.984 179.805 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.6 mt . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.575 179.939 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.819 0.342 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.8 159.52 71.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.565 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 129.0 8.77 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 123.043 2.495 . . . . 0.0 111.94 -179.76 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.6 179.993 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.81 0.338 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -160.38 74.67 2.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.488 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.59 117.39 4.76 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 123.02 2.48 . . . . 0.0 111.992 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 -179.994 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.752 0.31 . . . . 0.0 110.579 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.7 m -160.27 74.05 2.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.561 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.54 143.83 27.86 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.946 2.431 . . . . 0.0 111.973 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.425 HD23 ' H ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.557 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.027 0.441 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -160.16 73.89 3.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.281 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -39.72 129.91 1.9 Allowed 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.13 2.553 . . . . 0.0 111.935 -179.763 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.689 -179.96 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.4 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.775 0.321 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.15 69.97 2.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.512 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 169.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.034 2.489 . . . . 0.0 112.056 -179.686 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 -179.925 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.792 0.329 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.78 154.05 75.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.543 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 166.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.009 2.472 . . . . 0.0 112.007 -179.688 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.508 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.583 ' O ' HG23 ' A' ' 5' ' ' THR . 69.3 p . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.761 0.315 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.583 HG23 ' O ' ' A' ' 4' ' ' THR . 20.8 p -158.77 67.01 3.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.577 -179.867 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.52 166.74 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 123.028 2.486 . . . . 0.0 111.981 -179.545 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.574 179.94 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.459 HG22 ' HD3' ' A' ' 6' ' ' PRO . 7.7 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.761 0.315 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.88 76.11 2.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.478 -179.918 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.459 ' HD3' HG22 ' A' ' 4' ' ' THR . 3.1 Cg_exo -75.5 29.07 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.071 2.514 . . . . 0.0 111.998 179.808 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.487 HD12 ' N ' ' A' ' 7' ' ' LEU . 10.1 mp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.577 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 5' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.74 0.305 . . . . 0.0 110.601 . . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -158.95 155.84 25.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.578 -179.906 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 172.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.059 2.506 . . . . 0.0 111.976 -179.739 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.602 -179.983 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 4' ' ' THR . 9.2 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.797 0.332 . . . . 0.0 110.599 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.8 159.44 71.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.534 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 108.15 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.074 2.516 . . . . 0.0 111.958 -179.822 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.555 179.959 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 4' ' ' THR . 8.2 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.845 0.355 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -158.97 155.78 25.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.568 -179.899 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 132.88 9.98 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 123.03 2.487 . . . . 0.0 111.969 -179.743 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.984 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.4 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.787 0.327 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.31 67.19 2.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.496 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 113.51 0.48 Allowed 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.092 2.528 . . . . 0.0 111.996 -179.489 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.576 -179.946 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 4' ' ' THR . 9.0 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.826 0.346 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.8 155.15 75.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.54 179.956 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 171.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 123.014 2.476 . . . . 0.0 112.008 -179.756 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.51 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 98.1 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.862 0.363 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 m -160.2 74.07 2.97 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.579 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.57 122.19 6.79 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.961 2.44 . . . . 0.0 112.022 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.591 -179.993 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.791 0.329 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.93 76.08 2.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.603 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 103.37 1.72 Allowed 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 123.04 2.493 . . . . 0.0 112.011 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.576 179.967 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.827 0.346 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.78 155.17 75.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 125.35 6.14 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.977 2.451 . . . . 0.0 112.062 -179.794 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.8 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.58 -179.96 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.766 0.317 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.76 159.56 71.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 109.55 0.17 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.966 2.444 . . . . 0.0 111.98 -179.792 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.627 179.948 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.8 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.898 0.38 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 t -160.18 66.86 2.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.641 179.992 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 137.12 8.57 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.066 2.511 . . . . 0.0 112.008 -179.48 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.531 -179.997 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.836 0.351 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.76 154.05 75.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.512 -179.945 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 119.08 2.06 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.987 2.458 . . . . 0.0 111.984 -179.678 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.528 -179.991 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.8 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.82 0.343 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.68 159.32 71.92 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 179.971 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 108.0 0.12 Allowed 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.999 2.466 . . . . 0.0 111.981 -179.816 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.533 -179.989 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.4 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.751 0.31 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.94 76.14 2.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.54 -179.957 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 -169.15 0.61 Allowed 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 123.083 2.522 . . . . 0.0 111.998 179.792 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 7' ' ' LEU . 2.2 mm? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.517 -179.952 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 4' ' ' THR . 7.1 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.77 0.319 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.8 m -160.45 74.19 2.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.567 179.938 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.56 29.13 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 123.017 2.478 . . . . 0.0 111.986 179.964 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.534 179.977 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.788 0.328 . . . . 0.0 110.596 . . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.68 155.21 75.99 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.547 179.964 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.71 110.68 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.035 2.49 . . . . 0.0 111.961 -179.752 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.607 -179.993 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.8 0.333 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.1 m -160.26 131.4 3.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.501 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.66 145.81 2.55 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.989 2.459 . . . . 0.0 111.998 -179.557 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.739 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.533 -179.982 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.867 0.365 . . . . 0.0 110.526 . . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.73 155.13 75.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.602 179.914 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 115.99 0.99 Allowed 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 123.03 2.487 . . . . 0.0 111.984 -179.746 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.557 -179.984 . . . . . . . . 0 0 . 1 . 051 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.6 p . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.728 0.299 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 051 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.48 165.98 17.06 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 -179.876 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.48 127.22 10.2 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 123.046 2.497 . . . . 0.0 111.993 179.516 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 pp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.502 -179.966 . . . . . . . . 0 0 . 1 . 052 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.883 0.373 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.77 155.19 75.78 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.557 179.993 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 167.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.002 2.468 . . . . 0.0 112.002 -179.774 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 7' ' ' LEU . 8.1 mp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.57 -179.977 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.566 ' O ' HG23 ' A' ' 5' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.798 0.333 . . . . 0.0 110.605 . . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 4' ' ' THR . 20.6 p -158.83 68.43 3.4 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.575 -179.772 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 152.18 0.51 Allowed 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 123.011 2.474 . . . . 0.0 112.023 -179.545 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.433 ' C ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 -179.988 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.1 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.747 0.308 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 054 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.89 69.51 3.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.56 -179.959 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.49 148.54 1.27 Allowed 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 123.078 2.519 . . . . 0.0 112.038 -179.626 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.569 -179.962 . . . . . . . . 0 0 . 1 . 055 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.699 HG22 ' H ' ' A' ' 5' ' ' THR . 1.7 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.783 0.325 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.699 ' H ' HG22 ' A' ' 4' ' ' THR . 1.1 t -79.79 144.72 60.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.521 -179.956 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 127.77 7.94 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.058 2.505 . . . . 0.0 111.977 -179.681 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.613 179.959 . . . . . . . . 0 0 . 1 . 056 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 4' ' ' THR . 11.5 t . . . . . 0 C--O 1.233 0.184 0 CA-C-O 120.73 0.3 . . . . 0.0 110.514 . . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -158.99 155.9 25.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.532 -179.887 . . . . . . . . 3 3 . 1 . 056 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.66 175.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.034 2.489 . . . . 0.0 111.997 -179.715 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.615 179.993 . . . . . . . . 0 0 . 1 . 057 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.5 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.77 0.319 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 057 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -160.25 67.06 2.66 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.535 179.982 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 171.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 123.021 2.48 . . . . 0.0 111.958 -179.469 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.428 ' C ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.59 -179.93 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.773 0.321 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 058 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 5' ' ' THR . 7.8 t -160.26 74.1 2.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.516 -179.961 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 -168.32 0.52 Allowed 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.064 2.509 . . . . 0.0 111.965 179.901 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.438 ' C ' HD23 ' A' ' 7' ' ' LEU . 1.3 tt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 179.959 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.79 0.329 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 059 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.0 m -160.27 131.29 3.8 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.585 179.994 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 107.57 0.11 Allowed 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.965 2.443 . . . . 0.0 111.952 -179.527 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.488 179.968 . . . . . . . . 0 0 . 1 . 060 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.431 ' O ' HG22 ' A' ' 4' ' ' THR . 5.2 m . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.781 0.324 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.9 69.63 3.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.572 -179.964 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 172.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.011 2.474 . . . . 0.0 112.02 -179.609 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.6 -179.996 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.805 HG22 ' H ' ' A' ' 5' ' ' THR . 3.3 m . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.864 0.364 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.805 ' H ' HG22 ' A' ' 4' ' ' THR . 81.5 m -160.29 66.98 2.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.612 -179.99 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 166.77 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.03 2.487 . . . . 0.0 111.957 -179.48 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.568 179.978 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.792 0.33 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 062 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 t -160.24 144.67 10.74 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 -179.992 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 113.49 0.47 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.938 2.425 . . . . 0.0 112.039 -179.653 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.97 . . . . . . . . 0 0 . 1 . 063 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.8 0.333 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -160.24 67.14 2.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.492 179.926 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 132.29 10.08 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.028 2.485 . . . . 0.0 111.957 -179.413 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.437 HD23 ' H ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.52 -179.968 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.781 0.324 . . . . 0.0 110.563 . . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -79.81 172.13 10.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.519 -179.946 . . . . . . . . 3 3 . 1 . 064 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 120.59 5.99 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.987 2.458 . . . . 0.0 112.043 179.469 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.548 -179.941 . . . . . . . . 0 0 . 1 . 065 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.664 ' O ' HG22 ' A' ' 4' ' ' THR . 60.8 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.777 0.322 . . . . 0.0 110.504 . . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.24 74.06 2.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.504 179.994 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.4 168.7 24.0 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.016 2.477 . . . . 0.0 112.035 179.859 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 7' ' ' LEU . 32.1 tp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 179.997 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.498 ' O ' HG23 ' A' ' 5' ' ' THR . 4.5 t . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.813 0.339 . . . . 0.0 110.583 . . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -158.95 155.81 25.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.549 -179.863 . . . . . . . . 3 3 . 1 . 066 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.64 152.21 0.51 Allowed 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 123.069 2.513 . . . . 0.0 111.995 -179.753 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.516 -179.969 . . . . . . . . 0 0 . 1 . 067 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.581 HG22 ' H ' ' A' ' 5' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.848 0.356 . . . . 0.0 110.541 . . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.581 ' H ' HG22 ' A' ' 4' ' ' THR . 0.5 OUTLIER -159.93 157.86 26.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.496 179.988 . . . . . . . . 3 3 . 1 . 067 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 161.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 123.035 2.49 . . . . 0.0 112.029 -179.869 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.597 -179.969 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.792 0.329 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 068 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.86 155.23 75.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.564 179.986 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 166.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.961 2.44 . . . . 0.0 112.021 -179.761 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.52 -179.988 . . . . . . . . 0 0 . 1 . 069 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.0 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.782 0.325 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 069 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -79.82 159.47 71.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.567 -179.954 . . . . . . . . 3 3 . 1 . 069 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.53 174.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.023 2.482 . . . . 0.0 111.987 -179.811 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.571 179.96 . . . . . . . . 0 0 . 1 . 070 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.65 HG22 ' H ' ' A' ' 5' ' ' THR . 1.3 m . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.892 0.377 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.65 ' H ' HG22 ' A' ' 4' ' ' THR . 0.5 OUTLIER -159.95 157.83 25.96 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.535 179.983 . . . . . . . . 3 3 . 1 . 070 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 167.6 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.042 2.495 . . . . 0.0 111.933 -179.835 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.586 179.986 . . . . . . . . 0 0 . 1 . 071 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.805 0.336 . . . . 0.0 110.575 . . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -160.19 74.12 2.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.578 179.987 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.63 124.45 8.24 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.983 2.455 . . . . 0.0 111.985 179.974 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.552 -179.933 . . . . . . . . 0 0 . 1 . 072 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.776 0.322 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 072 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.22 74.13 2.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 -179.963 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.977 ' C ' HD13 ' A' ' 7' ' ' LEU . 3.3 Cg_exo -75.51 9.22 2.28 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.95 2.433 . . . . 0.0 111.959 -179.817 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.977 HD13 ' C ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.516 178.489 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.6 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.81 0.338 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 073 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.8 154.09 75.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.522 -179.943 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 138.74 7.8 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 123.018 2.478 . . . . 0.0 112.023 -179.699 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.551 -179.984 . . . . . . . . 0 0 . 1 . 074 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.725 HG23 ' O ' ' A' ' 4' ' ' THR . 14.8 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.824 0.345 . . . . 0.0 110.545 . . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.76 159.52 71.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.549 -179.987 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 103.36 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.04 2.493 . . . . 0.0 111.995 -179.851 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 -179.985 . . . . . . . . 0 0 . 1 . 075 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.729 0.3 . . . . 0.0 110.614 . . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.68 115.91 57.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.98 0.419 . . . . 0.0 110.59 -179.977 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.53 147.35 31.9 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.059 2.506 . . . . 0.0 111.99 179.47 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 -179.946 . . . . . . . . 0 0 . 1 . 076 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.6 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.836 0.351 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 076 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.96 76.06 2.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.556 -179.967 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 113.79 3.83 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.059 2.506 . . . . 0.0 111.948 179.856 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.91 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.593 179.989 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.816 0.341 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 077 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.65 159.39 71.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.551 179.982 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 134.28 9.87 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.045 2.496 . . . . 0.0 111.968 -179.811 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 163.02 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 123.017 2.478 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.413 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 42.7 p -143.35 137.15 28.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.538 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.0 p -91.26 137.51 32.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.579 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.9 m -160.25 66.94 2.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.53 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 158.99 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.024 2.482 . . . . 0.0 112.001 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.409 ' HA ' HD12 ' A' ' 7' ' ' LEU . 32.0 tp -163.88 76.57 0.36 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -156.67 143.47 18.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.576 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.119 -1.613 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.413 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.54 162.46 35.72 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.996 2.464 . . . . 0.0 111.957 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.24 -39.55 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.553 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -148.53 75.5 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.566 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.8 159.42 71.4 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.606 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 169.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 123.08 2.52 . . . . 0.0 111.97 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 7' ' ' LEU . 10.8 mp -76.09 -48.56 20.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.532 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 ptmm? -83.35 -146.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.57 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.163 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 120.86 6.07 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 123.004 2.469 . . . . 0.0 112.007 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.8 177.04 5.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.519 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.24 75.1 6.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.632 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.2 m -160.36 74.07 2.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.575 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 -176.47 2.97 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 123.042 2.495 . . . . 0.0 112.037 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mp -76.06 -117.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.559 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.33 -80.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.633 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 120.21 -1.556 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 155.98 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 123.059 2.506 . . . . 0.0 112.086 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.69 -29.52 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.661 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.9 m -148.19 95.15 2.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.522 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' A' ' 5' ' ' THR . 0.0 OUTLIER -160.05 67.26 2.76 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.574 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 129.77 9.03 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 123.077 2.518 . . . . 0.0 112.024 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.9 mt -76.08 -3.7 37.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.591 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.34 144.19 29.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.563 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.153 -1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.5 102.28 1.58 Allowed 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 123.011 2.474 . . . . 0.0 112.0 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.413 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 75.7 p -96.04 116.54 29.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.527 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 t -92.47 55.14 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.613 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.457 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -160.26 153.63 18.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.627 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.457 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.53 178.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 123.106 2.537 . . . . 0.0 112.012 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.05 -56.06 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.53 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -83.35 -101.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.639 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.126 -1.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.413 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.48 173.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 123.011 2.474 . . . . 0.0 111.983 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.17 149.48 36.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.52 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -91.29 106.93 18.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.569 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 4' ' ' THR . 0.1 OUTLIER -159.72 156.74 25.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.588 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.51 105.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.994 2.463 . . . . 0.0 111.991 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tp -76.03 -35.0 59.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.614 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -83.34 92.65 7.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.588 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 120.157 -1.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.413 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.138 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.9 Cg_endo -44.63 174.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 123.021 2.481 . . . . 0.0 111.981 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.91 -48.49 5.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.411 ' OG1' ' N ' ' A' ' 5' ' ' THR . 10.7 t -148.76 -150.28 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.559 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.411 ' N ' ' OG1' ' A' ' 4' ' ' THR . 0.5 OUTLIER -159.93 157.64 25.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.529 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 172.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 123.038 2.492 . . . . 0.0 111.986 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.443 ' C ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -163.84 22.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.526 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -83.39 -85.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.559 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 120.172 -1.58 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.421 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.23 0.073 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.9 Cg_endo -44.61 175.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.014 2.476 . . . . 0.0 111.949 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.82 -72.06 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.538 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.581 HG22 ' H ' ' A' ' 5' ' ' THR . 1.1 m -91.33 -144.61 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.537 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.581 ' H ' HG22 ' A' ' 4' ' ' THR . 0.7 OUTLIER -79.79 154.86 75.8 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.548 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.54 155.09 0.28 Allowed 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 123.011 2.474 . . . . 0.0 111.943 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.594 HD23 ' H ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -76.13 179.25 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.599 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.33 -54.91 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.572 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 120.251 -1.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 96.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 123.01 2.473 . . . . 0.0 111.95 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.418 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 29.6 p -143.87 155.01 43.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.552 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.4 p -91.28 127.49 36.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.72 154.08 75.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.666 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.66 170.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.991 2.461 . . . . 0.0 111.99 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 tp -163.85 136.53 5.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -156.6 -170.79 3.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.497 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.304 0 O-C-N 120.085 -1.635 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.418 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 166.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 123.018 2.479 . . . . 0.0 112.063 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.33 147.1 24.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.586 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.68 130.92 15.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.593 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.414 ' H ' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -79.78 172.11 10.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.561 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 118.27 5.1 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.022 2.481 . . . . 0.0 112.037 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.8 mt -76.06 169.43 18.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.575 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -83.36 71.29 10.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.517 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.163 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.413 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.23 0.064 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.9 Cg_endo -44.64 175.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.963 2.442 . . . . 0.0 112.042 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.39 148.37 22.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.523 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 m -148.71 86.19 1.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.547 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.8 155.06 75.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.52 172.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 123.004 2.469 . . . . 0.0 112.017 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.544 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.9 mm? -76.01 124.44 27.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.34 -38.6 21.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.63 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.309 0 O-C-N 120.145 -1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.68 172.03 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 123.028 2.485 . . . . 0.0 111.968 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.465 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 62.1 p -95.96 134.27 39.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.5 p -91.25 125.38 36.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.59 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.7 154.82 76.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.564 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 126.73 7.26 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.991 2.461 . . . . 0.0 111.962 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt -76.14 143.69 41.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.564 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.66 -43.72 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.54 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.163 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.465 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -44.12 167.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 123.167 2.578 . . . . 0.0 111.975 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.7 p -96.15 128.81 43.39 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.623 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.9 p -91.53 155.42 18.41 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.411 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.94 158.53 26.76 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.681 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -41.62 138.74 2.28 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.57 2.18 . . . . 0.0 111.441 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 7' ' ' LEU . 9.4 mp -76.06 -38.8 56.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.493 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -83.41 124.77 31.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.54 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 120.137 -1.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.51 152.92 0.4 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.011 2.474 . . . . 0.0 112.037 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.28 148.64 22.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.555 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.5 p -148.68 138.23 21.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.577 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 m -160.17 131.28 3.84 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.592 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.51 144.2 3.36 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 123.061 2.508 . . . . 0.0 112.003 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -163.78 21.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.596 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -156.61 98.65 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.524 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.171 -1.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 173.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.97 2.447 . . . . 0.0 111.955 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.87 -176.33 3.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -148.75 120.04 7.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.534 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.28 74.23 2.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.513 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.402 ' C ' ' H ' ' A' ' 8' ' ' LYS . 3.2 Cg_exo -75.57 108.42 2.69 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 123.003 2.469 . . . . 0.0 111.952 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tp -76.1 42.1 0.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.532 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' A' ' 6' ' ' PRO . 50.6 mttt -83.38 117.52 23.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.562 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 120.128 -1.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -43.51 94.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.152 2.568 . . . . 0.0 112.184 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.2 p -144.23 136.28 26.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.722 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.0 p -91.33 113.94 26.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.782 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.7 OUTLIER -79.75 154.6 75.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.573 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -45.17 175.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.998 2.465 . . . . 0.0 112.087 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -163.89 -46.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.616 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.64 113.33 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.535 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 120.046 -1.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 94.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 123.014 2.476 . . . . 0.0 111.97 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.418 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 36.1 p -143.94 132.23 21.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.552 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.415 ' H ' HG22 ' A' ' 4' ' ' THR . 0.5 OUTLIER -91.5 135.39 33.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.593 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 5' ' ' THR . 9.8 t -160.2 74.1 2.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.5 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.48 -167.61 0.45 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.012 2.474 . . . . 0.0 112.026 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.89 131.35 3.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.54 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -156.18 93.16 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.567 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.112 -1.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.418 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.65 160.89 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 123.054 2.502 . . . . 0.0 111.96 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.14 170.84 15.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.533 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.6 p -91.23 92.91 8.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.574 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.6 m -79.7 131.2 65.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.524 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 141.55 5.41 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.996 2.464 . . . . 0.0 111.981 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.9 mm? -76.08 -37.59 58.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.679 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.39 -13.24 55.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.543 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.407 0 O-C-N 120.172 -1.58 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.407 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.14 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.55 174.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.011 2.474 . . . . 0.0 112.056 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.8 155.33 44.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.5 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 p -91.3 80.44 5.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.595 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.74 154.81 75.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.585 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 107.94 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 123.018 2.479 . . . . 0.0 112.005 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.52 -85.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.617 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -156.64 -23.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.615 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 120.063 -1.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.71 147.72 1.69 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.985 2.457 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.82 -30.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.612 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.736 HG22 ' H ' ' A' ' 5' ' ' THR . 2.1 m -90.81 -144.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.619 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.736 ' H ' HG22 ' A' ' 4' ' ' THR . 7.4 m -79.73 115.85 56.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.609 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.53 119.96 5.71 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.018 2.479 . . . . 0.0 111.959 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mt -76.14 -67.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.544 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -83.35 157.51 22.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.565 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.137 -1.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.403 ' O7 ' ' OG1' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.164 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.43 29.1 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.121 2.548 . . . . 0.0 111.954 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.448 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 51.7 p -96.08 134.35 39.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.557 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.6 p -91.27 122.45 33.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.56 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.74 155.13 75.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.542 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 123.03 4.36 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 123.077 2.518 . . . . 0.0 111.982 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.547 HD23 ' H ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -76.11 51.61 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -156.63 -7.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.547 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.125 -1.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.448 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.55 29.12 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.996 2.464 . . . . 0.0 111.995 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.428 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 42.4 p -143.33 137.14 28.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.615 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.7 t -91.34 136.28 33.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.587 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.63 159.52 71.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.566 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.69 159.66 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.028 2.485 . . . . 0.0 112.018 -179.846 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 7' ' ' LEU . 32.2 tp -76.06 -40.76 52.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.566 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 mmtm -83.35 -61.56 1.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.614 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 120.126 -1.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.428 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 150.48 0.79 Allowed 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 123.092 2.528 . . . . 0.0 111.939 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.423 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 44.2 p -143.32 132.53 23.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.615 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.37 93.47 9.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.59 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.429 ' O ' ' O7 ' ' A' ' 10' ' ' A2G . 20.9 m -160.27 131.23 3.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.55 99.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 123.003 2.469 . . . . 0.0 112.016 -179.56 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.43 HD23 ' N ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -163.89 115.14 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.575 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.43 ' N ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -156.72 41.32 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.522 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.09 -1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.429 ' O7 ' ' O ' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -78.01 147.08 23.56 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 123.413 2.742 . . . . 0.0 112.458 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.464 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 42.9 p -96.04 149.09 21.98 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.763 179.527 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 5' ' ' THR . 3.6 m -91.29 134.29 34.7 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -179.65 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -159.01 156.42 26.48 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.106 -179.521 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -43.54 159.6 0.08 OUTLIER 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 123.055 2.503 . . . . 0.0 112.127 -179.73 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.476 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 2.0 tp -163.91 -142.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.997 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.476 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 2.2 tttm -83.34 -169.46 2.55 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.185 179.703 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.848 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.464 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.447 ' O ' HG23 ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.23 0.076 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.66 107.46 0.1 Allowed 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.977 2.452 . . . . 0.0 111.968 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.453 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 66.3 p -95.97 179.37 5.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.561 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.75 108.36 3.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.557 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.88 76.06 2.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 178.27 7.58 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.04 2.493 . . . . 0.0 111.984 179.805 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.6 mt -76.03 -13.86 60.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.575 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -83.28 -68.99 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.618 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 120.174 -1.579 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.453 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 172.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.024 2.482 . . . . 0.0 111.938 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.13 61.07 1.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.555 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.1 p -91.3 144.3 25.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.8 159.52 71.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.565 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 129.0 8.77 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 123.043 2.495 . . . . 0.0 111.94 -179.76 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tp -163.9 72.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.6 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -156.66 125.05 5.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.554 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 120.191 -1.568 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 165.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.017 2.478 . . . . 0.0 111.999 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.419 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 42.0 p -143.52 124.76 14.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.548 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.3 m -92.15 62.72 4.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -160.38 74.67 2.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.488 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.59 117.39 4.76 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 123.02 2.48 . . . . 0.0 111.992 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt -76.14 60.8 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.2 tttt -156.62 -64.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.6 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 120.172 -1.58 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.419 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.66 94.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.938 2.425 . . . . 0.0 112.041 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.426 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 36.5 p -143.88 152.58 41.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.506 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.36 139.35 30.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.579 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.7 m -160.27 74.05 2.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.561 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.54 143.83 27.86 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.946 2.431 . . . . 0.0 111.973 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.425 HD23 ' H ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -76.14 101.76 5.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.557 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -83.36 -178.83 7.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.529 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 120.077 -1.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.426 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -43.65 153.8 0.24 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.997 2.465 . . . . 0.0 112.121 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.422 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 82.5 p -95.84 126.92 41.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.025 0.441 . . . . 0.0 110.571 -179.665 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.28 138.3 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.059 179.903 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.41 ' CG2' ' O7 ' ' A' ' 10' ' ' A2G . 0.5 OUTLIER -160.16 73.89 3.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.281 179.918 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -39.72 129.91 1.9 Allowed 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.13 2.553 . . . . 0.0 111.935 -179.763 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -76.07 129.53 36.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.689 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.64 -13.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.534 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 120.162 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.422 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 103.09 1.68 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.034 2.489 . . . . 0.0 112.03 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.88 165.16 12.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.4 m -91.11 64.38 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.15 69.97 2.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.512 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 169.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.034 2.489 . . . . 0.0 112.056 -179.686 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.87 79.97 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -83.36 151.85 25.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.565 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 120.118 -1.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.051 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.64 158.88 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.983 2.455 . . . . 0.0 112.009 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.409 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 75.4 p -143.44 24.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.545 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 t -90.55 150.99 21.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.532 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.78 154.05 75.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.543 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 166.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.009 2.472 . . . . 0.0 112.007 -179.688 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -163.89 140.75 6.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.508 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.68 -173.08 4.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.587 179.949 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 120.152 -1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.409 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 167.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.99 2.46 . . . . 0.0 111.975 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.421 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 41.8 p -143.39 135.7 27.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.598 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.583 ' O ' HG23 ' A' ' 5' ' ' THR . 69.3 p -91.29 120.06 31.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 -179.94 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.583 HG23 ' O ' ' A' ' 4' ' ' THR . 20.8 p -158.77 67.01 3.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.577 -179.867 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.52 166.74 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 123.028 2.486 . . . . 0.0 111.981 -179.545 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -163.88 35.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.574 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.69 35.31 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.515 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.308 0 O-C-N 120.051 -1.656 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.421 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.56 29.16 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.023 2.482 . . . . 0.0 111.961 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.424 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 41.8 p -143.35 149.99 38.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.531 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.459 HG22 ' HD3' ' A' ' 6' ' ' PRO . 7.7 m -91.33 141.15 29.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.445 ' HG1' ' C7 ' ' A' ' 10' ' ' A2G . 0.0 OUTLIER -159.88 76.11 2.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.478 -179.918 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.459 ' HD3' HG22 ' A' ' 4' ' ' THR . 3.1 Cg_exo -75.5 29.07 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.071 2.514 . . . . 0.0 111.998 179.808 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.487 HD12 ' N ' ' A' ' 7' ' ' LEU . 10.1 mp -76.07 79.41 2.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.577 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -83.4 54.08 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.539 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 120.072 -1.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.445 ' C7 ' ' HG1' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 165.44 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 123.005 2.47 . . . . 0.0 112.052 . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.462 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 74.5 p -95.83 130.86 42.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 5' ' ' THR . 0.2 OUTLIER -91.25 145.35 24.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.601 179.973 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -158.95 155.84 25.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.578 -179.906 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 172.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.059 2.506 . . . . 0.0 111.976 -179.739 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.81 26.72 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.602 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.9 tttm -83.31 -152.9 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.545 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 120.107 -1.621 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.462 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 119.71 2.37 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.044 2.496 . . . . 0.0 111.919 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.471 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 73.8 p -95.85 170.71 9.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.602 179.934 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 4' ' ' THR . 9.2 t -148.7 117.38 6.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.599 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.8 159.44 71.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.534 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 108.15 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.074 2.516 . . . . 0.0 111.958 -179.822 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.544 HD23 ' HZ3' ' A' ' 8' ' ' LYS . 2.6 tp -163.89 -36.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.555 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.544 ' HZ3' HD23 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -156.61 52.56 0.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.563 179.961 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 120.12 -1.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.471 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 108.96 2.82 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.004 2.469 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.04 -168.78 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.587 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 4' ' ' THR . 8.2 t -148.73 97.95 2.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.54 179.943 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -158.97 155.78 25.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.568 -179.899 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 132.88 9.98 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 123.03 2.487 . . . . 0.0 111.969 -179.743 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 tp -163.97 129.83 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -155.73 -79.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.596 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.069 -1.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 93.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.052 2.501 . . . . 0.0 111.996 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.9 p -143.84 178.09 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.525 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.4 m -148.63 93.51 2.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.611 -179.962 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 10' ' ' A2G . 0.0 OUTLIER -160.31 67.19 2.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.496 -179.973 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 113.51 0.48 Allowed 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.092 2.528 . . . . 0.0 111.996 -179.489 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tp -163.85 117.83 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.576 -179.946 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -156.67 98.21 1.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.586 -179.993 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.13 -1.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.474 ' O ' ' CG2' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 155.67 0.26 Allowed 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.964 2.443 . . . . 0.0 112.032 . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.455 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 62.6 p -95.87 125.71 40.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.588 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 4' ' ' THR . 9.0 t -92.16 77.3 5.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.508 -179.936 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.436 ' OG1' ' O7 ' ' A' ' 10' ' ' A2G . 0.7 OUTLIER -79.8 155.15 75.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.54 179.956 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 171.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 123.014 2.476 . . . . 0.0 112.008 -179.756 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.93 92.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.51 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -155.53 -0.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.576 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 120.164 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.455 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 164.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.062 2.508 . . . . 0.0 111.952 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.83 -171.08 3.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.535 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 98.1 m -148.69 84.75 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 m -160.2 74.07 2.97 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.579 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.57 122.19 6.79 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.961 2.44 . . . . 0.0 112.022 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -76.11 -41.14 51.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.591 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.38 134.24 34.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.506 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.069 -1.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 172.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 123.022 2.481 . . . . 0.0 111.996 . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.416 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 45.0 p -143.29 -178.31 5.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.578 -179.936 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -148.67 128.67 13.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.606 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.93 76.08 2.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.603 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 103.37 1.72 Allowed 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 123.04 2.493 . . . . 0.0 112.011 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.07 135.52 39.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.576 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.32 -147.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.605 179.946 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.122 -1.611 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.416 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.65 160.28 0.11 Allowed 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 123.071 2.514 . . . . 0.0 111.951 . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.469 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 75.5 p -95.82 173.76 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.592 179.961 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 t -148.76 84.78 1.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 179.996 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.78 155.17 75.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.447 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.8 Cg_endo -44.61 125.35 6.14 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.977 2.451 . . . . 0.0 112.062 -179.794 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.8 mt -76.06 34.56 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.58 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.447 ' H ' ' C ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -156.63 103.71 2.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.552 179.981 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 120.056 -1.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.469 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 159.96 0.11 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.066 2.51 . . . . 0.0 111.99 . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.86 -44.49 7.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.608 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.7 -178.39 6.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.586 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.76 159.56 71.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 109.55 0.17 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.966 2.444 . . . . 0.0 111.98 -179.792 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.672 HD23 ' N ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -163.88 130.65 3.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.627 179.948 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.672 ' N ' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -156.63 179.4 9.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.51 179.982 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.173 -1.579 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 93.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 123.039 2.493 . . . . 0.0 112.033 . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.411 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 40.0 p -143.8 133.88 24.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.563 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.8 p -91.3 136.13 33.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.568 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.47 ' CG2' ' O7 ' ' A' ' 10' ' ' A2G . 1.1 t -160.18 66.86 2.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.641 179.992 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 137.12 8.57 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.066 2.511 . . . . 0.0 112.008 -179.48 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.7 mt -76.05 -25.21 55.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.531 -179.997 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.42 44.35 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.529 -179.946 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 120.177 -1.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.47 ' O7 ' ' CG2' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.064 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 152.53 0.47 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 123.01 2.474 . . . . 0.0 111.99 . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.471 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 68.9 p -95.91 151.78 19.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.527 -179.977 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -91.34 137.44 32.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.54 -179.958 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.76 154.05 75.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.512 -179.945 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 119.08 2.06 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.987 2.458 . . . . 0.0 111.984 -179.678 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mp -76.13 -174.45 2.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.528 -179.991 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -83.41 -119.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.533 -179.971 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 120.168 -1.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.471 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 106.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.995 2.463 . . . . 0.0 111.96 . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.14 -173.88 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.578 179.951 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.8 m -91.08 90.11 7.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.515 -179.95 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.438 ' CG2' ' O7 ' ' A' ' 10' ' ' A2G . 0.6 OUTLIER -79.68 159.32 71.92 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 179.971 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 108.0 0.12 Allowed 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.999 2.466 . . . . 0.0 111.981 -179.816 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 mt -76.18 -31.77 58.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.533 -179.989 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -83.4 -66.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.531 180.0 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.183 -1.573 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.438 ' O7 ' ' CG2' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.414 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.23 0.06 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.5 174.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 123.078 2.519 . . . . 0.0 111.962 . . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.12 144.47 31.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.532 179.969 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.4 m -148.68 62.91 1.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.585 179.909 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.94 76.14 2.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.54 -179.957 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 -169.15 0.61 Allowed 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 123.083 2.522 . . . . 0.0 111.998 179.792 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 7' ' ' LEU . 2.2 mm? -76.05 101.53 5.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.517 -179.952 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -83.31 37.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.592 179.921 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.104 -1.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 128.57 8.5 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.096 2.531 . . . . 0.0 111.95 . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.05 -21.44 17.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.521 -179.939 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 4' ' ' THR . 7.1 m -148.28 39.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 179.967 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.8 m -160.45 74.19 2.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.567 179.938 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.56 29.13 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 123.017 2.478 . . . . 0.0 111.986 179.964 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.445 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 2.2 tp -163.88 -145.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.534 179.977 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 5.0 tptt -156.69 161.26 39.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.619 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.108 -1.62 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 29.12 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.997 2.465 . . . . 0.0 111.967 . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.453 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 69.1 p -95.89 127.52 41.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.593 179.994 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.438 HG22 ' H ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -91.71 80.15 5.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.596 179.977 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.433 ' OG1' ' O7 ' ' A' ' 10' ' ' A2G . 0.7 OUTLIER -79.68 155.21 75.99 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.547 179.964 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.71 110.68 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.035 2.49 . . . . 0.0 111.961 -179.752 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -76.13 -39.73 54.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.607 -179.993 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.75 152.66 27.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.534 -179.983 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 120.135 -1.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.453 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.054 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -48.31 100.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 123.046 2.497 . . . . 0.0 112.577 . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.44 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 55.3 p -143.43 178.39 7.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.339 -179.951 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.8 m -148.7 127.59 12.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.549 179.96 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.1 m -160.26 131.4 3.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.501 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.414 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.8 Cg_endo -44.66 145.81 2.55 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.989 2.459 . . . . 0.0 111.998 -179.557 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.739 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -76.22 15.22 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.533 -179.982 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.414 ' H ' ' C ' ' A' ' 6' ' ' PRO . 5.9 ptpt -156.68 149.11 23.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 120.112 -1.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.44 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 94.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 123.065 2.51 . . . . 0.0 111.999 . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.431 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 38.6 p -143.86 -175.06 4.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.55 179.944 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.61 129.2 14.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.526 -179.988 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.73 155.13 75.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.602 179.914 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 115.99 0.99 Allowed 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 123.03 2.487 . . . . 0.0 111.984 -179.746 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.09 53.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.557 -179.984 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -83.35 -119.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.614 179.954 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.408 0 O-C-N 120.184 -1.573 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.431 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 154.32 0.33 Allowed 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 123.058 2.505 . . . . 0.0 112.026 . . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.465 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 76.0 p -95.84 133.96 39.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.564 -179.962 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.6 p -91.29 150.32 21.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.572 -179.995 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.48 165.98 17.06 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 -179.876 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.48 127.22 10.2 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 123.046 2.497 . . . . 0.0 111.993 179.516 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 pp -76.14 154.25 35.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.502 -179.966 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -156.65 -33.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.562 179.909 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.406 0 O-C-N 120.151 -1.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.465 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 96.69 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.999 2.466 . . . . 0.0 111.979 . . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.427 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 30.7 p -143.86 144.65 31.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.609 179.93 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.418 HG22 ' H ' ' A' ' 4' ' ' THR . 0.2 OUTLIER -91.25 129.58 37.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.58 179.943 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.507 HG23 ' O7 ' ' A' ' 10' ' ' A2G . 0.7 OUTLIER -79.77 155.19 75.78 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.557 179.993 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 167.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.002 2.468 . . . . 0.0 112.002 -179.774 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 7' ' ' LEU . 8.1 mp -76.15 -83.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.57 -179.977 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -83.38 -21.35 33.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.558 179.972 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.206 -1.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.507 ' O7 ' HG23 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 166.09 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 123.06 2.506 . . . . 0.0 112.023 . . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.8 -57.56 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.526 -179.987 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.566 ' O ' HG23 ' A' ' 5' ' ' THR . 0.2 OUTLIER -148.73 -150.04 0.33 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.605 -179.984 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 4' ' ' THR . 20.6 p -158.83 68.43 3.4 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.575 -179.772 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 152.18 0.51 Allowed 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 123.011 2.474 . . . . 0.0 112.023 -179.545 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.433 ' C ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -163.82 22.0 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 -179.988 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -83.36 -75.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.585 179.97 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 120.137 -1.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.474 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.51 86.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.05 2.5 . . . . 0.0 112.003 . . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 1' ' ' ACE . 76.8 p -144.42 29.74 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.512 179.933 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.1 m -90.63 109.68 20.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.552 179.963 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.89 69.51 3.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.56 -179.959 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.49 148.54 1.27 Allowed 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 123.078 2.519 . . . . 0.0 112.038 -179.626 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt -76.01 -30.13 58.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.569 -179.962 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.496 ' H ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -83.42 -15.13 50.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.552 -179.967 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 120.077 -1.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.057 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 125.02 5.87 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.007 2.471 . . . . 0.0 111.997 . . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.87 -26.23 15.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.512 -179.953 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.699 HG22 ' H ' ' A' ' 5' ' ' THR . 1.7 m -91.3 -144.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.572 179.958 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.699 ' H ' HG22 ' A' ' 4' ' ' THR . 1.1 t -79.79 144.72 60.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.521 -179.956 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 127.77 7.94 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.058 2.505 . . . . 0.0 111.977 -179.681 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.3 mt -76.07 172.81 12.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.613 179.959 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.29 -22.9 32.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.592 179.967 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.129 -1.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.402 ' O7 ' ' OG1' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 108.08 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.094 2.529 . . . . 0.0 111.936 . . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.13 -57.14 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.575 179.98 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 4' ' ' THR . 11.5 t -148.64 49.24 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 -179.993 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -158.99 155.9 25.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.532 -179.887 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.66 175.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.034 2.489 . . . . 0.0 111.997 -179.715 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.04 167.89 21.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.615 179.993 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -83.3 91.29 7.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.596 179.989 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.191 -1.568 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 163.67 0.06 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.992 2.461 . . . . 0.0 112.01 . . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.16 -40.91 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.56 -179.994 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.5 p -91.51 21.96 4.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.554 179.875 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -160.25 67.06 2.66 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.535 179.982 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 171.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 123.021 2.48 . . . . 0.0 111.958 -179.469 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.428 ' C ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -163.87 -178.46 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.59 -179.93 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -156.68 165.13 37.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.548 180.0 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.176 -1.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 058 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 135.0 17.62 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 123.03 2.487 . . . . 0.0 112.028 . . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.06 167.0 11.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.606 -179.991 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 p -91.34 83.75 5.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.578 179.994 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 5' ' ' THR . 7.8 t -160.26 74.1 2.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.516 -179.961 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 -168.32 0.52 Allowed 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.064 2.509 . . . . 0.0 111.965 179.901 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 8' ' ' LYS . 1.3 tt -163.93 107.55 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 179.959 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.441 ' N ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -156.63 112.28 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.53 -179.925 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.146 -1.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 058 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.457 ' H8A' HG23 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.411 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.135 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.53 174.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.028 2.485 . . . . 0.0 112.029 . . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.462 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 76.5 p -95.88 142.21 28.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.562 179.984 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.2 p -91.29 143.88 26.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.57 179.955 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.0 m -160.27 131.29 3.8 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.585 179.994 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 107.57 0.11 Allowed 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.965 2.443 . . . . 0.0 111.952 -179.527 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tp -163.88 -37.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.488 179.968 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.519 ' H ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -83.36 139.89 32.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.541 -179.895 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.142 -1.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 059 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.462 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 161.29 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.001 2.467 . . . . 0.0 112.025 . . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.14 -39.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.577 -179.988 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.431 ' O ' HG22 ' A' ' 4' ' ' THR . 5.2 m -91.75 23.56 3.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.561 179.964 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.9 69.63 3.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.572 -179.964 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 172.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.011 2.474 . . . . 0.0 112.02 -179.609 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.9 -34.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.6 -179.996 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -83.33 173.75 11.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.583 179.934 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 120.051 -1.655 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 061 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.58 128.11 10.79 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 123.036 2.491 . . . . 0.0 111.926 . . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.13 -34.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.497 -179.948 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.805 HG22 ' H ' ' A' ' 5' ' ' THR . 3.3 m -90.92 -142.06 0.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 179.827 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.805 ' H ' HG22 ' A' ' 4' ' ' THR . 81.5 m -160.29 66.98 2.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.612 -179.99 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 166.77 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.03 2.487 . . . . 0.0 111.957 -179.48 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.96 88.14 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.568 179.978 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -83.37 -4.6 58.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 179.991 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.134 -1.604 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 061 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.21 132.66 9.01 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.98 2.453 . . . . 0.0 112.026 . . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.53 149.31 21.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.68 -179.857 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.4 m -148.65 128.61 13.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.433 -179.921 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 t -160.24 144.67 10.74 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 -179.992 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 113.49 0.47 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.938 2.425 . . . . 0.0 112.039 -179.653 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mp -76.09 99.23 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.97 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -156.66 142.89 18.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.531 -179.995 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 120.088 -1.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.03 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 063 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.78 175.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.939 2.426 . . . . 0.0 112.045 . . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.83 -169.91 3.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.53 179.806 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -148.79 85.39 1.49 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.601 179.838 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -160.24 67.14 2.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.492 179.926 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 132.29 10.08 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.028 2.485 . . . . 0.0 111.957 -179.413 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.437 HD23 ' H ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -76.19 103.99 6.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.52 -179.968 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -156.61 -122.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.595 179.968 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.12 -1.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 063 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 064 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 105.87 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.032 2.488 . . . . 0.0 111.964 . . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.86 -77.03 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.573 179.988 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.28 -175.55 4.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.563 179.978 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -79.81 172.13 10.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.519 -179.946 . . . . . . . . 3 3 . 1 . 064 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 120.59 5.99 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.987 2.458 . . . . 0.0 112.043 179.469 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.9 mt -76.12 165.79 24.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.548 -179.941 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -156.7 15.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.529 179.969 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 120.15 -1.594 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 064 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 065 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 168.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.077 2.518 . . . . 0.0 111.98 . . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.47 154.64 17.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.629 179.962 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.664 ' O ' HG22 ' A' ' 4' ' ' THR . 60.8 m -148.81 44.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.504 179.996 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.24 74.06 2.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.504 179.994 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.4 168.7 24.0 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.016 2.477 . . . . 0.0 112.035 179.859 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 7' ' ' LEU . 32.1 tp -76.18 -39.92 53.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 179.997 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -83.32 103.83 13.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.577 179.956 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 120.11 -1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 065 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 066 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 101.76 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 123.026 2.484 . . . . 0.0 112.024 . . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.87 -33.48 12.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.618 179.98 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.498 ' O ' HG23 ' A' ' 5' ' ' THR . 4.5 t -91.66 22.05 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 179.874 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -158.95 155.81 25.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.549 -179.863 . . . . . . . . 3 3 . 1 . 066 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.64 152.21 0.51 Allowed 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 123.069 2.513 . . . . 0.0 111.995 -179.753 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mp -76.12 11.78 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.516 -179.969 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -83.36 -175.65 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 -179.985 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 120.162 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 066 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 067 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.51 165.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.075 2.517 . . . . 0.0 111.954 . . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.84 -71.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 -179.994 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.581 HG22 ' H ' ' A' ' 5' ' ' THR . 1.0 OUTLIER -91.29 -145.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.541 -179.988 . . . . . . . . 3 3 . 1 . 067 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.581 ' H ' HG22 ' A' ' 4' ' ' THR . 0.5 OUTLIER -159.93 157.86 26.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.496 179.988 . . . . . . . . 3 3 . 1 . 067 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 161.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 123.035 2.49 . . . . 0.0 112.029 -179.869 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.11 104.01 6.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.597 -179.969 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.36 -33.04 25.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.553 -179.976 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 120.111 -1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 067 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 068 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.5 172.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 123.07 2.513 . . . . 0.0 112.057 . . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.463 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 67.2 p -95.97 179.14 5.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.529 -179.999 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.7 m -148.72 92.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.546 -179.996 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.86 155.23 75.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.564 179.986 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 166.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.961 2.44 . . . . 0.0 112.021 -179.761 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mt -76.1 -49.98 15.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.52 -179.988 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.41 -177.31 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 -179.907 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 120.145 -1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 068 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.463 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 069 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 109.11 0.15 Allowed 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 123.023 2.482 . . . . 0.0 111.969 . . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.77 165.78 12.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 179.976 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.0 p -91.23 103.47 16.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.621 179.942 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -79.82 159.47 71.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.567 -179.954 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.53 174.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.023 2.482 . . . . 0.0 111.987 -179.811 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.487 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 2.4 tp -163.89 -132.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.571 179.96 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.487 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 23.9 tptt -83.42 39.65 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.509 -179.962 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.125 -1.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 069 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 070 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 070 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.55 145.58 2.57 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 123.049 2.5 . . . . 0.0 111.976 . . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.79 -26.7 15.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.541 179.993 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.65 HG22 ' H ' ' A' ' 5' ' ' THR . 1.3 m -91.27 -145.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.523 -179.938 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.65 ' H ' HG22 ' A' ' 4' ' ' THR . 0.5 OUTLIER -159.95 157.83 25.96 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.535 179.983 . . . . . . . . 3 3 . 1 . 070 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 167.6 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.042 2.495 . . . . 0.0 111.933 -179.835 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 tp -163.93 95.89 0.8 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.586 179.986 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.66 -20.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.566 -179.974 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 120.191 -1.568 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 070 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.47 ' C7 ' ' OG1' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 071 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 172.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.024 2.482 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.27 -167.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.563 -179.997 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.63 126.58 11.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.575 179.967 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -160.19 74.12 2.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.578 179.987 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.63 124.45 8.24 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.983 2.455 . . . . 0.0 111.985 179.974 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -76.17 -47.39 24.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.552 -179.933 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.8 tttt -156.62 104.66 2.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 -179.962 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 120.124 -1.61 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 071 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 072 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 072 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 162.76 0.07 OUTLIER 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 123.034 2.489 . . . . 0.0 112.034 . . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.13 107.34 4.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.563 -179.989 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.9 m -91.27 72.16 6.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.603 179.981 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.412 ' H ' ' H8A' ' A' ' 10' ' ' A2G . 0.2 OUTLIER -160.22 74.13 2.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 -179.963 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.977 ' C ' HD13 ' A' ' 7' ' ' LEU . 3.3 Cg_exo -75.51 9.22 2.28 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.95 2.433 . . . . 0.0 111.959 -179.817 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.977 HD13 ' C ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -161.19 66.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.516 178.489 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.747 ' H ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -82.12 -26.6 33.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.51 179.861 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 120.127 -1.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 072 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.412 ' H8A' ' H ' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 073 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.54 -161.33 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 123.05 2.5 . . . . 0.0 112.034 . . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.13 160.51 14.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.651 179.918 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.6 p -91.29 28.64 1.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 179.99 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.8 154.09 75.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.522 -179.943 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 138.74 7.8 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 123.018 2.478 . . . . 0.0 112.023 -179.699 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -76.08 167.5 21.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.551 -179.984 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -83.36 -0.58 50.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.555 179.99 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 120.076 -1.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 073 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 074 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 074 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 162.96 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.973 2.449 . . . . 0.0 112.001 . . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.22 -35.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.568 -179.988 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.725 HG23 ' O ' ' A' ' 4' ' ' THR . 14.8 t -148.34 56.31 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 179.913 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.76 159.52 71.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.549 -179.987 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 103.36 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.04 2.493 . . . . 0.0 111.995 -179.851 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mt -76.17 140.88 41.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 -179.985 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -83.37 2.63 35.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 -179.983 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.14 -1.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 074 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 075 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 075 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.43 163.29 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 123.016 2.477 . . . . 0.0 112.008 . . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.0 p -143.44 179.46 7.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.591 -179.806 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.69 129.23 13.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.614 179.943 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.68 115.91 57.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.98 0.419 . . . . 0.0 110.59 -179.977 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.53 147.35 31.9 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.059 2.506 . . . . 0.0 111.99 179.47 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt -76.08 149.93 37.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 -179.946 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.41 -18.33 39.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.603 179.928 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.134 -1.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 075 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 076 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 076 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.55 -162.83 0.17 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.013 2.476 . . . . 0.0 111.973 . . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.42 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 41.7 p -143.3 -177.77 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.603 -179.969 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.6 m -148.7 112.73 5.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.501 -179.982 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.96 76.06 2.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.556 -179.967 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 113.79 3.83 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.059 2.506 . . . . 0.0 111.948 179.856 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.91 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -76.06 163.88 26.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.593 179.989 . . . . . . . . 3 3 . 1 . 076 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -156.58 56.0 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.551 -179.979 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.105 -1.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 076 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.42 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 077 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 148.42 1.35 Allowed 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.017 2.478 . . . . 0.0 112.013 . . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.16 -174.91 4.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.993 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.0 p -91.15 92.14 8.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.546 -179.936 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.465 ' CG2' ' O7 ' ' A' ' 10' ' ' A2G . 0.6 OUTLIER -79.65 159.39 71.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.551 179.982 . . . . . . . . 3 3 . 1 . 077 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 134.28 9.87 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.045 2.496 . . . . 0.0 111.968 -179.811 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -163.88 35.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 179.979 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -156.65 17.28 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.535 179.999 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 120.128 -1.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 077 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.465 ' O7 ' ' CG2' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.0 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.748 0.309 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.9 m -160.25 66.94 2.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.53 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 158.99 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.024 2.482 . . . . 0.0 112.001 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.409 ' HA ' HD12 ' A' ' 7' ' ' LEU . 32.0 tp . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.779 0.324 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.8 159.42 71.4 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.606 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 169.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 123.08 2.52 . . . . 0.0 111.97 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.457 ' N ' HD12 ' A' ' 7' ' ' LEU . 10.8 mp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.532 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.229 0.023 0 CA-C-O 120.829 0.347 . . . . 0.0 110.632 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.2 m -160.36 74.07 2.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.575 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 -176.47 2.97 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 123.042 2.495 . . . . 0.0 112.037 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.559 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.9 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.785 0.326 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' A' ' 5' ' ' THR . 0.0 OUTLIER -160.05 67.26 2.76 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.574 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 129.77 9.03 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 123.077 2.518 . . . . 0.0 112.024 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.9 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.591 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.784 0.326 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.457 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -160.26 153.63 18.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.627 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.457 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.53 178.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 123.106 2.537 . . . . 0.0 112.012 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.53 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.777 0.322 . . . . 0.0 110.569 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 4' ' ' THR . 0.1 OUTLIER -159.72 156.74 25.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.588 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.51 105.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.994 2.463 . . . . 0.0 111.991 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.614 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.411 ' OG1' ' N ' ' A' ' 5' ' ' THR . 10.7 t . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.751 0.31 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.411 ' N ' ' OG1' ' A' ' 4' ' ' THR . 0.5 OUTLIER -159.93 157.64 25.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.529 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 172.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 123.038 2.492 . . . . 0.0 111.986 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.443 ' C ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.526 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.581 HG22 ' H ' ' A' ' 5' ' ' THR . 1.1 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.778 0.323 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.581 ' H ' HG22 ' A' ' 4' ' ' THR . 0.7 OUTLIER -79.79 154.86 75.8 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.548 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.54 155.09 0.28 Allowed 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 123.011 2.474 . . . . 0.0 111.943 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.594 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.599 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.4 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.773 0.321 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.72 154.08 75.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.666 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.66 170.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.991 2.461 . . . . 0.0 111.99 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 tp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.797 0.332 . . . . 0.0 110.593 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -79.78 172.11 10.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.561 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 118.27 5.1 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.022 2.481 . . . . 0.0 112.037 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.575 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.841 0.353 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.8 155.06 75.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.52 172.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 123.004 2.469 . . . . 0.0 112.017 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.544 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.9 mm? . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.765 0.317 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.7 154.82 76.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.564 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 126.73 7.26 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.991 2.461 . . . . 0.0 111.962 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.564 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.9 p . . . . . 0 N--CA 1.461 0.087 0 CA-C-O 120.884 0.373 . . . . 0.0 111.411 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.94 158.53 26.76 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.681 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -41.62 138.74 2.28 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.57 2.18 . . . . 0.0 111.441 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 7' ' ' LEU . 9.4 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.493 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.5 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.738 0.304 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 m -160.17 131.28 3.84 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.592 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.51 144.2 3.36 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 123.061 2.508 . . . . 0.0 112.003 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.596 179.94 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.79 0.328 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.28 74.23 2.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.513 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.57 108.42 2.69 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 123.003 2.469 . . . . 0.0 111.952 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.532 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.0 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.759 0.314 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.7 OUTLIER -79.75 154.6 75.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.573 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -45.17 175.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.998 2.465 . . . . 0.0 112.087 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.616 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.771 0.32 . . . . 0.0 110.593 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 5' ' ' THR . 9.8 t -160.2 74.1 2.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.5 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.48 -167.61 0.45 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.012 2.474 . . . . 0.0 112.026 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.54 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.824 0.345 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.6 m -79.7 131.2 65.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.524 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 141.55 5.41 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.996 2.464 . . . . 0.0 111.981 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.9 mm? . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.679 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.864 0.364 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.74 154.81 75.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.585 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 107.94 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 123.018 2.479 . . . . 0.0 112.005 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.617 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.736 HG22 ' H ' ' A' ' 5' ' ' THR . 2.1 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.77 0.319 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.736 ' H ' HG22 ' A' ' 4' ' ' THR . 7.4 m -79.73 115.85 56.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.609 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.53 119.96 5.71 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.018 2.479 . . . . 0.0 111.959 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.544 -179.991 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.6 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.792 0.33 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.74 155.13 75.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.542 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 123.03 4.36 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 123.077 2.518 . . . . 0.0 111.982 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.547 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.782 0.325 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.63 159.52 71.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.566 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.69 159.66 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.028 2.485 . . . . 0.0 112.018 -179.846 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.415 ' HA ' HD12 ' A' ' 7' ' ' LEU . 32.2 tp . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.566 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.799 0.333 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 m -160.27 131.23 3.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.55 99.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 123.003 2.469 . . . . 0.0 112.016 -179.56 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.575 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 5' ' ' THR . 3.6 m . . . . . 0 C--O 1.232 0.137 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -159.01 156.42 26.48 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.106 -179.521 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -43.54 159.6 0.08 OUTLIER 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 123.055 2.503 . . . . 0.0 112.127 -179.73 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 C--N 1.329 -0.291 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.997 179.866 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.801 0.334 . . . . 0.0 110.557 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.88 76.06 2.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 178.27 7.58 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.04 2.493 . . . . 0.0 111.984 179.805 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.6 mt . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.575 179.939 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.819 0.342 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.8 159.52 71.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.565 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 129.0 8.77 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 123.043 2.495 . . . . 0.0 111.94 -179.76 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.6 179.993 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.81 0.338 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -160.38 74.67 2.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.488 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.59 117.39 4.76 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 123.02 2.48 . . . . 0.0 111.992 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 -179.994 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.752 0.31 . . . . 0.0 110.579 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.7 m -160.27 74.05 2.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.561 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.54 143.83 27.86 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.946 2.431 . . . . 0.0 111.973 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.425 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.557 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.027 0.441 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -160.16 73.89 3.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.281 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -39.72 129.91 1.9 Allowed 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.13 2.553 . . . . 0.0 111.935 -179.763 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.689 -179.96 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.4 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.775 0.321 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.15 69.97 2.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.512 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 169.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.034 2.489 . . . . 0.0 112.056 -179.686 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 -179.925 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.792 0.329 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.78 154.05 75.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.543 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 166.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.009 2.472 . . . . 0.0 112.007 -179.688 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.508 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.583 ' O ' HG23 ' A' ' 5' ' ' THR . 69.3 p . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.761 0.315 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.583 HG23 ' O ' ' A' ' 4' ' ' THR . 20.8 p -158.77 67.01 3.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.577 -179.867 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.52 166.74 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 123.028 2.486 . . . . 0.0 111.981 -179.545 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.574 179.94 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.459 HG22 ' HD3' ' A' ' 6' ' ' PRO . 7.7 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.761 0.315 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.88 76.11 2.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.478 -179.918 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.459 ' HD3' HG22 ' A' ' 4' ' ' THR . 3.1 Cg_exo -75.5 29.07 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.071 2.514 . . . . 0.0 111.998 179.808 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.487 ' N ' HD12 ' A' ' 7' ' ' LEU . 10.1 mp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.577 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 5' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.74 0.305 . . . . 0.0 110.601 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -158.95 155.84 25.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.578 -179.906 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 172.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.059 2.506 . . . . 0.0 111.976 -179.739 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.602 -179.983 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.573 ' O ' HG23 ' A' ' 4' ' ' THR . 9.2 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.797 0.332 . . . . 0.0 110.599 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.8 159.44 71.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.534 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 108.15 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.074 2.516 . . . . 0.0 111.958 -179.822 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.555 179.959 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.701 ' O ' HG23 ' A' ' 4' ' ' THR . 8.2 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.845 0.355 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -158.97 155.78 25.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.568 -179.899 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 132.88 9.98 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 123.03 2.487 . . . . 0.0 111.969 -179.743 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.984 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.4 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.787 0.327 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.31 67.19 2.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.496 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 113.51 0.48 Allowed 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.092 2.528 . . . . 0.0 111.996 -179.489 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.576 -179.946 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.691 ' O ' HG23 ' A' ' 4' ' ' THR . 9.0 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.826 0.346 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.8 155.15 75.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.54 179.956 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 171.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 123.014 2.476 . . . . 0.0 112.008 -179.756 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.51 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 98.1 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.862 0.363 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 m -160.2 74.07 2.97 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.579 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.57 122.19 6.79 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.961 2.44 . . . . 0.0 112.022 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.591 -179.993 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.791 0.329 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.93 76.08 2.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.603 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 103.37 1.72 Allowed 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 123.04 2.493 . . . . 0.0 112.011 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.576 179.967 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.827 0.346 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.78 155.17 75.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 125.35 6.14 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.977 2.451 . . . . 0.0 112.062 -179.794 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.8 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.58 -179.96 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.766 0.317 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.76 159.56 71.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 109.55 0.17 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.966 2.444 . . . . 0.0 111.98 -179.792 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.627 179.948 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.8 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.898 0.38 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 t -160.18 66.86 2.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.641 179.992 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 137.12 8.57 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.066 2.511 . . . . 0.0 112.008 -179.48 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.531 -179.997 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.836 0.351 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.76 154.05 75.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.512 -179.945 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 119.08 2.06 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.987 2.458 . . . . 0.0 111.984 -179.678 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.528 -179.991 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.8 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.82 0.343 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.68 159.32 71.92 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 179.971 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 108.0 0.12 Allowed 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.999 2.466 . . . . 0.0 111.981 -179.816 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.533 -179.989 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.4 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.751 0.31 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.94 76.14 2.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.54 -179.957 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 -169.15 0.61 Allowed 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 123.083 2.522 . . . . 0.0 111.998 179.792 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 7' ' ' LEU . 2.2 mm? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.517 -179.952 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 4' ' ' THR . 7.1 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.77 0.319 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.8 m -160.45 74.19 2.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.567 179.938 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.56 29.13 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 123.017 2.478 . . . . 0.0 111.986 179.964 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.534 179.977 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.788 0.328 . . . . 0.0 110.596 . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.68 155.21 75.99 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.547 179.964 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.71 110.68 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.035 2.49 . . . . 0.0 111.961 -179.752 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.607 -179.993 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.8 0.333 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.1 m -160.26 131.4 3.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.501 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.66 145.81 2.55 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.989 2.459 . . . . 0.0 111.998 -179.557 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.739 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.533 -179.982 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.867 0.365 . . . . 0.0 110.526 . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.73 155.13 75.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.602 179.914 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 115.99 0.99 Allowed 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 123.03 2.487 . . . . 0.0 111.984 -179.746 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.557 -179.984 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.6 p . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.728 0.299 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.48 165.98 17.06 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 -179.876 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.48 127.22 10.2 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 123.046 2.497 . . . . 0.0 111.993 179.516 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 pp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.502 -179.966 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.883 0.373 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.77 155.19 75.78 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.557 179.993 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 167.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.002 2.468 . . . . 0.0 112.002 -179.774 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.679 ' N ' HD12 ' A' ' 7' ' ' LEU . 8.1 mp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.57 -179.977 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.566 ' O ' HG23 ' A' ' 5' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.798 0.333 . . . . 0.0 110.605 . . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 4' ' ' THR . 20.6 p -158.83 68.43 3.4 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.575 -179.772 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 152.18 0.51 Allowed 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 123.011 2.474 . . . . 0.0 112.023 -179.545 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.433 ' C ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 -179.988 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.1 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.747 0.308 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.89 69.51 3.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.56 -179.959 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.49 148.54 1.27 Allowed 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 123.078 2.519 . . . . 0.0 112.038 -179.626 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.569 -179.962 . . . . . . . . 0 0 . 1 . 055 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.699 HG22 ' H ' ' A' ' 5' ' ' THR . 1.7 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.783 0.325 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.699 ' H ' HG22 ' A' ' 4' ' ' THR . 1.1 t -79.79 144.72 60.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.521 -179.956 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 127.77 7.94 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.058 2.505 . . . . 0.0 111.977 -179.681 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.613 179.959 . . . . . . . . 0 0 . 1 . 056 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.543 ' O ' HG23 ' A' ' 4' ' ' THR . 11.5 t . . . . . 0 C--O 1.233 0.184 0 CA-C-O 120.73 0.3 . . . . 0.0 110.514 . . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -158.99 155.9 25.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.532 -179.887 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.66 175.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.034 2.489 . . . . 0.0 111.997 -179.715 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.615 179.993 . . . . . . . . 0 0 . 1 . 057 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.5 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.77 0.319 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -160.25 67.06 2.66 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.535 179.982 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 171.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 123.021 2.48 . . . . 0.0 111.958 -179.469 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.428 ' C ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.59 -179.93 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.773 0.321 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 5' ' ' THR . 7.8 t -160.26 74.1 2.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.516 -179.961 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 -168.32 0.52 Allowed 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.064 2.509 . . . . 0.0 111.965 179.901 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.438 ' C ' HD23 ' A' ' 7' ' ' LEU . 1.3 tt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 179.959 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.79 0.329 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.0 m -160.27 131.29 3.8 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.585 179.994 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 107.57 0.11 Allowed 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.965 2.443 . . . . 0.0 111.952 -179.527 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.488 179.968 . . . . . . . . 0 0 . 1 . 060 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 4' ' ' THR . 5.2 m . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.781 0.324 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.9 69.63 3.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.572 -179.964 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 172.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.011 2.474 . . . . 0.0 112.02 -179.609 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.6 -179.996 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.805 HG22 ' H ' ' A' ' 5' ' ' THR . 3.3 m . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.864 0.364 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.805 ' H ' HG22 ' A' ' 4' ' ' THR . 81.5 m -160.29 66.98 2.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.612 -179.99 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 166.77 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.03 2.487 . . . . 0.0 111.957 -179.48 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.568 179.978 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.792 0.33 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 t -160.24 144.67 10.74 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 -179.992 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 113.49 0.47 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.938 2.425 . . . . 0.0 112.039 -179.653 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.97 . . . . . . . . 0 0 . 1 . 063 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.8 0.333 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -160.24 67.14 2.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.492 179.926 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 132.29 10.08 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.028 2.485 . . . . 0.0 111.957 -179.413 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.437 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.52 -179.968 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.781 0.324 . . . . 0.0 110.563 . . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -79.81 172.13 10.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.519 -179.946 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 120.59 5.99 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.987 2.458 . . . . 0.0 112.043 179.469 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.548 -179.941 . . . . . . . . 0 0 . 1 . 065 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.664 HG22 ' O ' ' A' ' 4' ' ' THR . 60.8 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.777 0.322 . . . . 0.0 110.504 . . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.24 74.06 2.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.504 179.994 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.4 168.7 24.0 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.016 2.477 . . . . 0.0 112.035 179.859 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 7' ' ' LEU . 32.1 tp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 179.997 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.498 ' O ' HG23 ' A' ' 5' ' ' THR . 4.5 t . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.813 0.339 . . . . 0.0 110.583 . . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -158.95 155.81 25.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.549 -179.863 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.64 152.21 0.51 Allowed 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 123.069 2.513 . . . . 0.0 111.995 -179.753 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.516 -179.969 . . . . . . . . 0 0 . 1 . 067 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.581 HG22 ' H ' ' A' ' 5' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.848 0.356 . . . . 0.0 110.541 . . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.581 ' H ' HG22 ' A' ' 4' ' ' THR . 0.5 OUTLIER -159.93 157.86 26.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.496 179.988 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 161.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 123.035 2.49 . . . . 0.0 112.029 -179.869 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.597 -179.969 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.792 0.329 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.86 155.23 75.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.564 179.986 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 166.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.961 2.44 . . . . 0.0 112.021 -179.761 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.52 -179.988 . . . . . . . . 0 0 . 1 . 069 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.0 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.782 0.325 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -79.82 159.47 71.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.567 -179.954 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.53 174.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.023 2.482 . . . . 0.0 111.987 -179.811 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.571 179.96 . . . . . . . . 0 0 . 1 . 070 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.65 HG22 ' H ' ' A' ' 5' ' ' THR . 1.3 m . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.892 0.377 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.65 ' H ' HG22 ' A' ' 4' ' ' THR . 0.5 OUTLIER -159.95 157.83 25.96 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.535 179.983 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 167.6 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.042 2.495 . . . . 0.0 111.933 -179.835 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.586 179.986 . . . . . . . . 0 0 . 1 . 071 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.805 0.336 . . . . 0.0 110.575 . . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -160.19 74.12 2.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.578 179.987 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.63 124.45 8.24 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.983 2.455 . . . . 0.0 111.985 179.974 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.552 -179.933 . . . . . . . . 0 0 . 1 . 072 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.776 0.322 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.22 74.13 2.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 -179.963 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.977 ' C ' HD13 ' A' ' 7' ' ' LEU . 3.3 Cg_exo -75.51 9.22 2.28 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.95 2.433 . . . . 0.0 111.959 -179.817 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.977 HD13 ' C ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.516 178.489 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.6 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.81 0.338 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.8 154.09 75.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.522 -179.943 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 138.74 7.8 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 123.018 2.478 . . . . 0.0 112.023 -179.699 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.551 -179.984 . . . . . . . . 0 0 . 1 . 074 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.725 ' O ' HG23 ' A' ' 4' ' ' THR . 14.8 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.824 0.345 . . . . 0.0 110.545 . . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.76 159.52 71.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.549 -179.987 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 103.36 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.04 2.493 . . . . 0.0 111.995 -179.851 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 -179.985 . . . . . . . . 0 0 . 1 . 075 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.729 0.3 . . . . 0.0 110.614 . . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.68 115.91 57.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.98 0.419 . . . . 0.0 110.59 -179.977 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.53 147.35 31.9 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.059 2.506 . . . . 0.0 111.99 179.47 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 -179.946 . . . . . . . . 0 0 . 1 . 076 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.6 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.836 0.351 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.96 76.06 2.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.556 -179.967 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 113.79 3.83 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.059 2.506 . . . . 0.0 111.948 179.856 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.91 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.593 179.989 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.816 0.341 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 077 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.65 159.39 71.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.551 179.982 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 134.28 9.87 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.045 2.496 . . . . 0.0 111.968 -179.811 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 163.02 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 123.017 2.478 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.413 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 42.7 p -143.35 137.15 28.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.538 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.0 p -91.26 137.51 32.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.579 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.9 m -160.25 66.94 2.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.53 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 158.99 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.024 2.482 . . . . 0.0 112.001 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.409 ' HA ' HD12 ' A' ' 7' ' ' LEU . 32.0 tp -163.88 76.57 0.36 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -156.67 143.47 18.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.576 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.119 -1.613 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.413 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.54 162.46 35.72 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.996 2.464 . . . . 0.0 111.957 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.24 -39.55 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.553 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -148.53 75.5 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.566 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.8 159.42 71.4 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.606 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 169.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 123.08 2.52 . . . . 0.0 111.97 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.457 ' N ' HD12 ' A' ' 7' ' ' LEU . 10.8 mp -76.09 -48.56 20.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.532 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 ptmm? -83.35 -146.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.57 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.163 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 120.86 6.07 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 123.004 2.469 . . . . 0.0 112.007 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.8 177.04 5.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.519 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.24 75.1 6.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.632 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.2 m -160.36 74.07 2.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.575 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 -176.47 2.97 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 123.042 2.495 . . . . 0.0 112.037 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mp -76.06 -117.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.559 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.33 -80.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.633 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 120.21 -1.556 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 155.98 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 123.059 2.506 . . . . 0.0 112.086 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.69 -29.52 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.661 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.9 m -148.19 95.15 2.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.522 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' A' ' 5' ' ' THR . 0.0 OUTLIER -160.05 67.26 2.76 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.574 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 129.77 9.03 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 123.077 2.518 . . . . 0.0 112.024 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.9 mt -76.08 -3.7 37.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.591 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.34 144.19 29.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.563 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.153 -1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.5 102.28 1.58 Allowed 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 123.011 2.474 . . . . 0.0 112.0 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.413 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 75.7 p -96.04 116.54 29.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.527 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 t -92.47 55.14 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.613 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.457 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -160.26 153.63 18.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.627 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.457 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.53 178.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 123.106 2.537 . . . . 0.0 112.012 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.05 -56.06 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.53 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -83.35 -101.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.639 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.126 -1.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.413 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.48 173.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 123.011 2.474 . . . . 0.0 111.983 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.17 149.48 36.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.52 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -91.29 106.93 18.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.569 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 4' ' ' THR . 0.1 OUTLIER -159.72 156.74 25.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.588 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.51 105.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.994 2.463 . . . . 0.0 111.991 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tp -76.03 -35.0 59.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.614 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -83.34 92.65 7.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.588 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 120.157 -1.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.413 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.138 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.9 Cg_endo -44.63 174.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 123.021 2.481 . . . . 0.0 111.981 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.91 -48.49 5.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.411 ' OG1' ' N ' ' A' ' 5' ' ' THR . 10.7 t -148.76 -150.28 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.559 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.411 ' N ' ' OG1' ' A' ' 4' ' ' THR . 0.5 OUTLIER -159.93 157.64 25.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.529 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 172.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 123.038 2.492 . . . . 0.0 111.986 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.443 ' C ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -163.84 22.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.526 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -83.39 -85.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.559 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 120.172 -1.58 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.421 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.23 0.073 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.9 Cg_endo -44.61 175.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.014 2.476 . . . . 0.0 111.949 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.82 -72.06 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.538 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.581 HG22 ' H ' ' A' ' 5' ' ' THR . 1.1 m -91.33 -144.61 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.537 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.581 ' H ' HG22 ' A' ' 4' ' ' THR . 0.7 OUTLIER -79.79 154.86 75.8 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.548 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.54 155.09 0.28 Allowed 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 123.011 2.474 . . . . 0.0 111.943 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.594 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -76.13 179.25 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.599 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.33 -54.91 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.572 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 120.251 -1.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 96.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 123.01 2.473 . . . . 0.0 111.95 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.418 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 29.6 p -143.87 155.01 43.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.552 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.4 p -91.28 127.49 36.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.72 154.08 75.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.666 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.66 170.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.991 2.461 . . . . 0.0 111.99 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 tp -163.85 136.53 5.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -156.6 -170.79 3.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.497 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.304 0 O-C-N 120.085 -1.635 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.418 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 166.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 123.018 2.479 . . . . 0.0 112.063 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.33 147.1 24.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.586 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.68 130.92 15.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.593 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -79.78 172.11 10.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.561 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 118.27 5.1 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.022 2.481 . . . . 0.0 112.037 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.8 mt -76.06 169.43 18.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.575 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -83.36 71.29 10.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.517 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.163 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.413 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.23 0.064 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.9 Cg_endo -44.64 175.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.963 2.442 . . . . 0.0 112.042 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.39 148.37 22.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.523 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 m -148.71 86.19 1.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.547 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.8 155.06 75.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.52 172.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 123.004 2.469 . . . . 0.0 112.017 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.544 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.9 mm? -76.01 124.44 27.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.585 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.34 -38.6 21.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.63 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.309 0 O-C-N 120.145 -1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.68 172.03 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 123.028 2.485 . . . . 0.0 111.968 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.465 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 62.1 p -95.96 134.27 39.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.564 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.5 p -91.25 125.38 36.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.59 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.7 154.82 76.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.564 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 126.73 7.26 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.991 2.461 . . . . 0.0 111.962 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt -76.14 143.69 41.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.564 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.66 -43.72 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.54 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.163 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.465 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -44.12 167.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 123.167 2.578 . . . . 0.0 111.975 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.7 p -96.15 128.81 43.39 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.623 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.9 p -91.53 155.42 18.41 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.411 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.94 158.53 26.76 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.681 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -41.62 138.74 2.28 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.57 2.18 . . . . 0.0 111.441 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 7' ' ' LEU . 9.4 mp -76.06 -38.8 56.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.493 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -83.41 124.77 31.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.54 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 120.137 -1.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.51 152.92 0.4 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.011 2.474 . . . . 0.0 112.037 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.28 148.64 22.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.555 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.5 p -148.68 138.23 21.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.577 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 m -160.17 131.28 3.84 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.592 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.51 144.2 3.36 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 123.061 2.508 . . . . 0.0 112.003 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -163.78 21.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.596 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -156.61 98.65 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.524 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.171 -1.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 173.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.97 2.447 . . . . 0.0 111.955 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.87 -176.33 3.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -148.75 120.04 7.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.534 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.28 74.23 2.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.513 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.402 ' C ' ' H ' ' A' ' 8' ' ' LYS . 3.2 Cg_exo -75.57 108.42 2.69 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 123.003 2.469 . . . . 0.0 111.952 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tp -76.1 42.1 0.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.532 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' A' ' 6' ' ' PRO . 50.6 mttt -83.38 117.52 23.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.562 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 120.128 -1.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -43.51 94.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.152 2.568 . . . . 0.0 112.184 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.2 p -144.23 136.28 26.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.722 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.0 p -91.33 113.94 26.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.782 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.7 OUTLIER -79.75 154.6 75.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.573 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -45.17 175.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.998 2.465 . . . . 0.0 112.087 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -163.89 -46.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.616 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.64 113.33 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.535 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 120.046 -1.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 94.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 123.014 2.476 . . . . 0.0 111.97 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.418 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 36.1 p -143.94 132.23 21.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.552 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.415 ' H ' HG22 ' A' ' 4' ' ' THR . 0.5 OUTLIER -91.5 135.39 33.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.593 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 5' ' ' THR . 9.8 t -160.2 74.1 2.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.5 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.48 -167.61 0.45 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.012 2.474 . . . . 0.0 112.026 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.89 131.35 3.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.54 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -156.18 93.16 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.567 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.112 -1.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.418 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.65 160.89 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 123.054 2.502 . . . . 0.0 111.96 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.14 170.84 15.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.533 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.6 p -91.23 92.91 8.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.574 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.6 m -79.7 131.2 65.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.524 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 141.55 5.41 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.996 2.464 . . . . 0.0 111.981 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.9 mm? -76.08 -37.59 58.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.679 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.39 -13.24 55.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.543 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.407 0 O-C-N 120.172 -1.58 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.407 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.14 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.55 174.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.011 2.474 . . . . 0.0 112.056 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.8 155.33 44.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.5 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 p -91.3 80.44 5.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.595 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.74 154.81 75.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.585 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 107.94 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 123.018 2.479 . . . . 0.0 112.005 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.52 -85.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.617 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -156.64 -23.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.615 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 120.063 -1.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.71 147.72 1.69 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.985 2.457 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.82 -30.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.612 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.736 HG22 ' H ' ' A' ' 5' ' ' THR . 2.1 m -90.81 -144.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.619 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.736 ' H ' HG22 ' A' ' 4' ' ' THR . 7.4 m -79.73 115.85 56.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.609 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.53 119.96 5.71 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.018 2.479 . . . . 0.0 111.959 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mt -76.14 -67.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.544 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -83.35 157.51 22.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.565 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.137 -1.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.403 ' O7 ' ' OG1' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.164 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.43 29.1 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.121 2.548 . . . . 0.0 111.954 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.448 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 51.7 p -96.08 134.35 39.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.557 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.6 p -91.27 122.45 33.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.56 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.74 155.13 75.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.542 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 123.03 4.36 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 123.077 2.518 . . . . 0.0 111.982 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.547 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -76.11 51.61 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.59 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -156.63 -7.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.547 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.125 -1.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.448 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.55 29.12 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.996 2.464 . . . . 0.0 111.995 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.428 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 42.4 p -143.33 137.14 28.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.615 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.7 t -91.34 136.28 33.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.587 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.63 159.52 71.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.566 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.69 159.66 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.028 2.485 . . . . 0.0 112.018 -179.846 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.415 ' HA ' HD12 ' A' ' 7' ' ' LEU . 32.2 tp -76.06 -40.76 52.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.566 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 mmtm -83.35 -61.56 1.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.614 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 120.126 -1.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.428 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 150.48 0.79 Allowed 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 123.092 2.528 . . . . 0.0 111.939 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.423 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 44.2 p -143.32 132.53 23.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.615 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.37 93.47 9.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.59 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.429 ' O ' ' O7 ' ' A' ' 10' ' ' A2G . 20.9 m -160.27 131.23 3.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.576 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.55 99.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 123.003 2.469 . . . . 0.0 112.016 -179.56 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.43 HD23 ' N ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -163.89 115.14 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.575 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.43 ' N ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -156.72 41.32 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.522 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.09 -1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.429 ' O7 ' ' O ' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -78.01 147.08 23.56 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 123.413 2.742 . . . . 0.0 112.458 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.464 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 42.9 p -96.04 149.09 21.98 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.763 179.527 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 5' ' ' THR . 3.6 m -91.29 134.29 34.7 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -179.65 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -159.01 156.42 26.48 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.106 -179.521 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -43.54 159.6 0.08 OUTLIER 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 123.055 2.503 . . . . 0.0 112.127 -179.73 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.476 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 2.0 tp -163.91 -142.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.997 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.476 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 2.2 tttm -83.34 -169.46 2.55 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.185 179.703 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.848 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.464 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.447 ' O ' HG23 ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.23 0.076 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.66 107.46 0.1 Allowed 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.977 2.452 . . . . 0.0 111.968 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.453 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 66.3 p -95.97 179.37 5.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.561 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.75 108.36 3.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.557 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.88 76.06 2.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 178.27 7.58 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.04 2.493 . . . . 0.0 111.984 179.805 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.6 mt -76.03 -13.86 60.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.575 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -83.28 -68.99 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.618 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 120.174 -1.579 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.453 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 172.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.024 2.482 . . . . 0.0 111.938 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.13 61.07 1.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.555 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.1 p -91.3 144.3 25.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.548 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.8 159.52 71.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.565 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 129.0 8.77 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 123.043 2.495 . . . . 0.0 111.94 -179.76 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tp -163.9 72.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.6 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -156.66 125.05 5.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.554 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 120.191 -1.568 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 165.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.017 2.478 . . . . 0.0 111.999 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.419 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 42.0 p -143.52 124.76 14.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.548 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.3 m -92.15 62.72 4.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -160.38 74.67 2.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.488 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.59 117.39 4.76 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 123.02 2.48 . . . . 0.0 111.992 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt -76.14 60.8 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.2 tttt -156.62 -64.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.6 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 120.172 -1.58 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.419 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.66 94.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.938 2.425 . . . . 0.0 112.041 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.426 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 36.5 p -143.88 152.58 41.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.506 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.36 139.35 30.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.579 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.7 m -160.27 74.05 2.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.561 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.54 143.83 27.86 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.946 2.431 . . . . 0.0 111.973 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.425 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -76.14 101.76 5.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.557 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -83.36 -178.83 7.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.529 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 120.077 -1.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.426 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -43.65 153.8 0.24 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.997 2.465 . . . . 0.0 112.121 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.422 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 82.5 p -95.84 126.92 41.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.025 0.441 . . . . 0.0 110.571 -179.665 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.28 138.3 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.059 179.903 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.41 ' CG2' ' O7 ' ' A' ' 10' ' ' A2G . 0.5 OUTLIER -160.16 73.89 3.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.281 179.918 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -39.72 129.91 1.9 Allowed 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.13 2.553 . . . . 0.0 111.935 -179.763 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -76.07 129.53 36.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.689 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.64 -13.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.534 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 120.162 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.422 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 103.09 1.68 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.034 2.489 . . . . 0.0 112.03 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.88 165.16 12.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.4 m -91.11 64.38 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.611 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.15 69.97 2.99 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.512 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 169.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.034 2.489 . . . . 0.0 112.056 -179.686 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.87 79.97 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -83.36 151.85 25.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.565 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 120.118 -1.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.051 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.64 158.88 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.983 2.455 . . . . 0.0 112.009 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.409 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 75.4 p -143.44 24.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.545 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 t -90.55 150.99 21.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.532 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.78 154.05 75.63 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.543 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 166.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.009 2.472 . . . . 0.0 112.007 -179.688 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -163.89 140.75 6.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.508 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.68 -173.08 4.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.587 179.949 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 120.152 -1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.409 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 167.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.99 2.46 . . . . 0.0 111.975 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.421 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 41.8 p -143.39 135.7 27.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.598 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.583 ' O ' HG23 ' A' ' 5' ' ' THR . 69.3 p -91.29 120.06 31.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 -179.94 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.583 HG23 ' O ' ' A' ' 4' ' ' THR . 20.8 p -158.77 67.01 3.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.577 -179.867 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.52 166.74 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 123.028 2.486 . . . . 0.0 111.981 -179.545 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -163.88 35.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.574 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.69 35.31 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.515 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.308 0 O-C-N 120.051 -1.656 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.421 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.56 29.16 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.023 2.482 . . . . 0.0 111.961 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.424 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 41.8 p -143.35 149.99 38.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.531 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.459 HG22 ' HD3' ' A' ' 6' ' ' PRO . 7.7 m -91.33 141.15 29.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.445 ' HG1' ' C7 ' ' A' ' 10' ' ' A2G . 0.0 OUTLIER -159.88 76.11 2.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.478 -179.918 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.459 ' HD3' HG22 ' A' ' 4' ' ' THR . 3.1 Cg_exo -75.5 29.07 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.071 2.514 . . . . 0.0 111.998 179.808 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.487 ' N ' HD12 ' A' ' 7' ' ' LEU . 10.1 mp -76.07 79.41 2.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.577 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -83.4 54.08 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.539 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 120.072 -1.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.445 ' C7 ' ' HG1' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 165.44 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 123.005 2.47 . . . . 0.0 112.052 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.462 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 74.5 p -95.83 130.86 42.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 5' ' ' THR . 0.2 OUTLIER -91.25 145.35 24.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.601 179.973 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -158.95 155.84 25.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.578 -179.906 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 172.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.059 2.506 . . . . 0.0 111.976 -179.739 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.81 26.72 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.602 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.9 tttm -83.31 -152.9 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.545 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 120.107 -1.621 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.462 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 119.71 2.37 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.044 2.496 . . . . 0.0 111.919 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.471 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 73.8 p -95.85 170.71 9.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.602 179.934 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.573 ' O ' HG23 ' A' ' 4' ' ' THR . 9.2 t -148.7 117.38 6.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.599 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.8 159.44 71.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.534 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 108.15 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.074 2.516 . . . . 0.0 111.958 -179.822 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.544 HD23 ' HZ3' ' A' ' 8' ' ' LYS . 2.6 tp -163.89 -36.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.555 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.544 ' HZ3' HD23 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -156.61 52.56 0.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.563 179.961 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 120.12 -1.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.471 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 108.96 2.82 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.004 2.469 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.04 -168.78 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.587 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.701 ' O ' HG23 ' A' ' 4' ' ' THR . 8.2 t -148.73 97.95 2.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.54 179.943 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -158.97 155.78 25.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.568 -179.899 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 132.88 9.98 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 123.03 2.487 . . . . 0.0 111.969 -179.743 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 tp -163.97 129.83 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -155.73 -79.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.596 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.069 -1.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 93.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.052 2.501 . . . . 0.0 111.996 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.9 p -143.84 178.09 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.525 -180.0 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.4 m -148.63 93.51 2.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.611 -179.962 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 10' ' ' A2G . 0.0 OUTLIER -160.31 67.19 2.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.496 -179.973 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 113.51 0.48 Allowed 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.092 2.528 . . . . 0.0 111.996 -179.489 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tp -163.85 117.83 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.576 -179.946 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -156.67 98.21 1.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.586 -179.993 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.13 -1.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.474 ' O ' ' CG2' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 155.67 0.26 Allowed 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.964 2.443 . . . . 0.0 112.032 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.455 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 62.6 p -95.87 125.71 40.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.588 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.691 ' O ' HG23 ' A' ' 4' ' ' THR . 9.0 t -92.16 77.3 5.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.508 -179.936 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.436 ' OG1' ' O7 ' ' A' ' 10' ' ' A2G . 0.7 OUTLIER -79.8 155.15 75.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.54 179.956 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 171.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 123.014 2.476 . . . . 0.0 112.008 -179.756 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.93 92.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.51 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -155.53 -0.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.576 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 120.164 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.455 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 164.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.062 2.508 . . . . 0.0 111.952 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.83 -171.08 3.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.535 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 98.1 m -148.69 84.75 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 m -160.2 74.07 2.97 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.579 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.57 122.19 6.79 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.961 2.44 . . . . 0.0 112.022 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -76.11 -41.14 51.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.591 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.38 134.24 34.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.506 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.069 -1.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 172.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 123.022 2.481 . . . . 0.0 111.996 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.416 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 45.0 p -143.29 -178.31 5.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.578 -179.936 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -148.67 128.67 13.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.606 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.93 76.08 2.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.603 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 103.37 1.72 Allowed 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 123.04 2.493 . . . . 0.0 112.011 179.801 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.07 135.52 39.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.576 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.32 -147.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.605 179.946 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.122 -1.611 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.416 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.65 160.28 0.11 Allowed 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 123.071 2.514 . . . . 0.0 111.951 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.469 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 75.5 p -95.82 173.76 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.592 179.961 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 t -148.76 84.78 1.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 179.996 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.78 155.17 75.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.447 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.8 Cg_endo -44.61 125.35 6.14 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.977 2.451 . . . . 0.0 112.062 -179.794 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.8 mt -76.06 34.56 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.58 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.447 ' H ' ' C ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -156.63 103.71 2.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.552 179.981 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 120.056 -1.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.469 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 159.96 0.11 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.066 2.51 . . . . 0.0 111.99 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.86 -44.49 7.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.608 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.7 -178.39 6.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.586 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.76 159.56 71.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 109.55 0.17 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.966 2.444 . . . . 0.0 111.98 -179.792 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.672 HD23 ' N ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -163.88 130.65 3.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.627 179.948 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.672 ' N ' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -156.63 179.4 9.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.51 179.982 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.173 -1.579 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 93.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 123.039 2.493 . . . . 0.0 112.033 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.411 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 40.0 p -143.8 133.88 24.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.563 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.8 p -91.3 136.13 33.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.568 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.47 ' CG2' ' O7 ' ' A' ' 10' ' ' A2G . 1.1 t -160.18 66.86 2.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.641 179.992 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 137.12 8.57 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.066 2.511 . . . . 0.0 112.008 -179.48 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.7 mt -76.05 -25.21 55.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.531 -179.997 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.42 44.35 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.529 -179.946 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 120.177 -1.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.47 ' O7 ' ' CG2' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.064 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 152.53 0.47 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 123.01 2.474 . . . . 0.0 111.99 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.471 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 68.9 p -95.91 151.78 19.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.527 -179.977 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -91.34 137.44 32.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.54 -179.958 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.76 154.05 75.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.512 -179.945 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 119.08 2.06 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.987 2.458 . . . . 0.0 111.984 -179.678 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mp -76.13 -174.45 2.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.528 -179.991 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -83.41 -119.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.533 -179.971 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 120.168 -1.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.471 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 106.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.995 2.463 . . . . 0.0 111.96 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.14 -173.88 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.578 179.951 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.8 m -91.08 90.11 7.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.515 -179.95 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.438 ' CG2' ' O7 ' ' A' ' 10' ' ' A2G . 0.6 OUTLIER -79.68 159.32 71.92 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.575 179.971 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 108.0 0.12 Allowed 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.999 2.466 . . . . 0.0 111.981 -179.816 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 mt -76.18 -31.77 58.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.533 -179.989 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -83.4 -66.8 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.531 180.0 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.183 -1.573 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.438 ' O7 ' ' CG2' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.414 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.23 0.06 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.5 174.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 123.078 2.519 . . . . 0.0 111.962 . . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.12 144.47 31.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.532 179.969 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.4 m -148.68 62.91 1.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.585 179.909 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.94 76.14 2.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.54 -179.957 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 -169.15 0.61 Allowed 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 123.083 2.522 . . . . 0.0 111.998 179.792 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 7' ' ' LEU . 2.2 mm? -76.05 101.53 5.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.517 -179.952 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -83.31 37.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.592 179.921 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.104 -1.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 128.57 8.5 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.096 2.531 . . . . 0.0 111.95 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.05 -21.44 17.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.521 -179.939 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 4' ' ' THR . 7.1 m -148.28 39.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 179.967 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.8 m -160.45 74.19 2.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.567 179.938 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.56 29.13 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 123.017 2.478 . . . . 0.0 111.986 179.964 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.445 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 2.2 tp -163.88 -145.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.534 179.977 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 5.0 tptt -156.69 161.26 39.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.619 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.108 -1.62 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 29.12 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.997 2.465 . . . . 0.0 111.967 . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.453 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 69.1 p -95.89 127.52 41.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.593 179.994 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.438 HG22 ' H ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -91.71 80.15 5.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.596 179.977 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.433 ' OG1' ' O7 ' ' A' ' 10' ' ' A2G . 0.7 OUTLIER -79.68 155.21 75.99 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.547 179.964 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.71 110.68 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.035 2.49 . . . . 0.0 111.961 -179.752 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -76.13 -39.73 54.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.607 -179.993 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.75 152.66 27.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.534 -179.983 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 120.135 -1.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.453 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.054 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -48.31 100.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 123.046 2.497 . . . . 0.0 112.577 . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.44 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 55.3 p -143.43 178.39 7.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.339 -179.951 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.8 m -148.7 127.59 12.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.549 179.96 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.1 m -160.26 131.4 3.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.501 179.982 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.414 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.8 Cg_endo -44.66 145.81 2.55 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.989 2.459 . . . . 0.0 111.998 -179.557 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.739 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -76.22 15.22 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.533 -179.982 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.414 ' H ' ' C ' ' A' ' 6' ' ' PRO . 5.9 ptpt -156.68 149.11 23.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 -179.992 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 120.112 -1.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.44 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 94.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 123.065 2.51 . . . . 0.0 111.999 . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.431 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 38.6 p -143.86 -175.06 4.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.55 179.944 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.61 129.2 14.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.526 -179.988 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.73 155.13 75.91 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.602 179.914 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 115.99 0.99 Allowed 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 123.03 2.487 . . . . 0.0 111.984 -179.746 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.09 53.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.557 -179.984 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -83.35 -119.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.614 179.954 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.408 0 O-C-N 120.184 -1.573 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.431 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 154.32 0.33 Allowed 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 123.058 2.505 . . . . 0.0 112.026 . . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.465 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 76.0 p -95.84 133.96 39.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.564 -179.962 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.6 p -91.29 150.32 21.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.572 -179.995 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.48 165.98 17.06 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 -179.876 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.48 127.22 10.2 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 123.046 2.497 . . . . 0.0 111.993 179.516 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 pp -76.14 154.25 35.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.502 -179.966 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -156.65 -33.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.562 179.909 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.406 0 O-C-N 120.151 -1.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.465 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 96.69 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.999 2.466 . . . . 0.0 111.979 . . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.427 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 30.7 p -143.86 144.65 31.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.609 179.93 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.418 HG22 ' H ' ' A' ' 4' ' ' THR . 0.2 OUTLIER -91.25 129.58 37.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.58 179.943 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.507 HG23 ' O7 ' ' A' ' 10' ' ' A2G . 0.7 OUTLIER -79.77 155.19 75.78 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.557 179.993 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 167.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.002 2.468 . . . . 0.0 112.002 -179.774 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.679 ' N ' HD12 ' A' ' 7' ' ' LEU . 8.1 mp -76.15 -83.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.57 -179.977 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -83.38 -21.35 33.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.558 179.972 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.206 -1.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.507 ' O7 ' HG23 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 166.09 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 123.06 2.506 . . . . 0.0 112.023 . . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.8 -57.56 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.526 -179.987 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.566 ' O ' HG23 ' A' ' 5' ' ' THR . 0.2 OUTLIER -148.73 -150.04 0.33 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.605 -179.984 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 4' ' ' THR . 20.6 p -158.83 68.43 3.4 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.575 -179.772 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 152.18 0.51 Allowed 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 123.011 2.474 . . . . 0.0 112.023 -179.545 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.433 ' C ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -163.82 22.0 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.564 -179.988 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -83.36 -75.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.585 179.97 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 120.137 -1.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.474 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.51 86.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.05 2.5 . . . . 0.0 112.003 . . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 1' ' ' ACE . 76.8 p -144.42 29.74 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.512 179.933 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.1 m -90.63 109.68 20.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.552 179.963 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.89 69.51 3.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.56 -179.959 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.49 148.54 1.27 Allowed 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 123.078 2.519 . . . . 0.0 112.038 -179.626 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt -76.01 -30.13 58.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.569 -179.962 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.496 ' CD ' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -83.42 -15.13 50.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.552 -179.967 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 120.077 -1.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.057 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 125.02 5.87 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.007 2.471 . . . . 0.0 111.997 . . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.87 -26.23 15.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.512 -179.953 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.699 HG22 ' H ' ' A' ' 5' ' ' THR . 1.7 m -91.3 -144.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.572 179.958 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.699 ' H ' HG22 ' A' ' 4' ' ' THR . 1.1 t -79.79 144.72 60.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.521 -179.956 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 127.77 7.94 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.058 2.505 . . . . 0.0 111.977 -179.681 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.3 mt -76.07 172.81 12.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.613 179.959 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.29 -22.9 32.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.592 179.967 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.129 -1.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.402 ' O7 ' ' OG1' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 108.08 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.094 2.529 . . . . 0.0 111.936 . . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.13 -57.14 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.575 179.98 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.543 ' O ' HG23 ' A' ' 4' ' ' THR . 11.5 t -148.64 49.24 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 -179.993 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -158.99 155.9 25.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.532 -179.887 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.66 175.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.034 2.489 . . . . 0.0 111.997 -179.715 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.04 167.89 21.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.615 179.993 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -83.3 91.29 7.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.596 179.989 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.191 -1.568 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 163.67 0.06 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.992 2.461 . . . . 0.0 112.01 . . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.16 -40.91 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.56 -179.994 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 74.5 p -91.51 21.96 4.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.554 179.875 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.6 m -160.25 67.06 2.66 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.535 179.982 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 171.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 123.021 2.48 . . . . 0.0 111.958 -179.469 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.428 ' C ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -163.87 -178.46 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.59 -179.93 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -156.68 165.13 37.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.548 180.0 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.176 -1.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 135.0 17.62 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 123.03 2.487 . . . . 0.0 112.028 . . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.06 167.0 11.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.606 -179.991 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 p -91.34 83.75 5.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.578 179.994 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 5' ' ' THR . 7.8 t -160.26 74.1 2.95 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.516 -179.961 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 -168.32 0.52 Allowed 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.064 2.509 . . . . 0.0 111.965 179.901 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 8' ' ' LYS . 1.3 tt -163.93 107.55 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 179.959 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.441 ' N ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -156.63 112.28 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.53 -179.925 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.146 -1.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.457 ' H8A' HG23 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.411 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.135 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.53 174.8 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.028 2.485 . . . . 0.0 112.029 . . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.462 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 76.5 p -95.88 142.21 28.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.562 179.984 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.2 p -91.29 143.88 26.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.57 179.955 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.0 m -160.27 131.29 3.8 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.585 179.994 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 107.57 0.11 Allowed 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.965 2.443 . . . . 0.0 111.952 -179.527 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tp -163.88 -37.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.488 179.968 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.519 ' CD ' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -83.36 139.89 32.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.541 -179.895 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.142 -1.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.462 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 161.29 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.001 2.467 . . . . 0.0 112.025 . . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.14 -39.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.577 -179.988 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 4' ' ' THR . 5.2 m -91.75 23.56 3.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.561 179.964 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.9 69.63 3.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.572 -179.964 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 172.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.011 2.474 . . . . 0.0 112.02 -179.609 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.9 -34.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.6 -179.996 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -83.33 173.75 11.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.583 179.934 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 120.051 -1.655 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.58 128.11 10.79 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 123.036 2.491 . . . . 0.0 111.926 . . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.13 -34.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.497 -179.948 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.805 HG22 ' H ' ' A' ' 5' ' ' THR . 3.3 m -90.92 -142.06 0.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.566 179.827 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.805 ' H ' HG22 ' A' ' 4' ' ' THR . 81.5 m -160.29 66.98 2.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.612 -179.99 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 166.77 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.03 2.487 . . . . 0.0 111.957 -179.48 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.96 88.14 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.568 179.978 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -83.37 -4.6 58.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.588 179.991 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.134 -1.604 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.21 132.66 9.01 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.98 2.453 . . . . 0.0 112.026 . . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.53 149.31 21.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.68 -179.857 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.4 m -148.65 128.61 13.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.433 -179.921 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 t -160.24 144.67 10.74 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 -179.992 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 113.49 0.47 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.938 2.425 . . . . 0.0 112.039 -179.653 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mp -76.09 99.23 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.97 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -156.66 142.89 18.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.531 -179.995 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 120.088 -1.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.03 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.78 175.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.939 2.426 . . . . 0.0 112.045 . . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.83 -169.91 3.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.53 179.806 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -148.79 85.39 1.49 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.601 179.838 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -160.24 67.14 2.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.492 179.926 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 132.29 10.08 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.028 2.485 . . . . 0.0 111.957 -179.413 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.437 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -76.19 103.99 6.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.52 -179.968 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -156.61 -122.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.595 179.968 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.12 -1.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 105.87 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.032 2.488 . . . . 0.0 111.964 . . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.86 -77.03 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.573 179.988 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.28 -175.55 4.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.563 179.978 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -79.81 172.13 10.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.519 -179.946 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 120.59 5.99 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.987 2.458 . . . . 0.0 112.043 179.469 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.9 mt -76.12 165.79 24.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.548 -179.941 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -156.7 15.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.529 179.969 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 120.15 -1.594 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 168.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.077 2.518 . . . . 0.0 111.98 . . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.47 154.64 17.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.629 179.962 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.664 HG22 ' O ' ' A' ' 4' ' ' THR . 60.8 m -148.81 44.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.504 179.996 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.24 74.06 2.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.504 179.994 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.4 168.7 24.0 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.016 2.477 . . . . 0.0 112.035 179.859 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 7' ' ' LEU . 32.1 tp -76.18 -39.92 53.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 179.997 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -83.32 103.83 13.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.577 179.956 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 120.11 -1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 101.76 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 123.026 2.484 . . . . 0.0 112.024 . . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.87 -33.48 12.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.618 179.98 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.498 ' O ' HG23 ' A' ' 5' ' ' THR . 4.5 t -91.66 22.05 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 179.874 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -158.95 155.81 25.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.549 -179.863 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.64 152.21 0.51 Allowed 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 123.069 2.513 . . . . 0.0 111.995 -179.753 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mp -76.12 11.78 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.516 -179.969 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -83.36 -175.65 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 -179.985 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 120.162 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.51 165.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.075 2.517 . . . . 0.0 111.954 . . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.84 -71.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 -179.994 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.581 HG22 ' H ' ' A' ' 5' ' ' THR . 1.0 OUTLIER -91.29 -145.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.541 -179.988 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.581 ' H ' HG22 ' A' ' 4' ' ' THR . 0.5 OUTLIER -159.93 157.86 26.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.496 179.988 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 161.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 123.035 2.49 . . . . 0.0 112.029 -179.869 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.11 104.01 6.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.597 -179.969 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.36 -33.04 25.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.553 -179.976 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 120.111 -1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.5 172.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 123.07 2.513 . . . . 0.0 112.057 . . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.463 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 67.2 p -95.97 179.14 5.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.529 -179.999 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.7 m -148.72 92.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.546 -179.996 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.86 155.23 75.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.564 179.986 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 166.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.961 2.44 . . . . 0.0 112.021 -179.761 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mt -76.1 -49.98 15.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.52 -179.988 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.41 -177.31 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 -179.907 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 120.145 -1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.463 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 109.11 0.15 Allowed 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 123.023 2.482 . . . . 0.0 111.969 . . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.77 165.78 12.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 179.976 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.0 p -91.23 103.47 16.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.621 179.942 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -79.82 159.47 71.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.567 -179.954 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.53 174.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.023 2.482 . . . . 0.0 111.987 -179.811 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.487 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 2.4 tp -163.89 -132.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.571 179.96 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.487 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 23.9 tptt -83.42 39.65 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.509 -179.962 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.125 -1.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.55 145.58 2.57 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 123.049 2.5 . . . . 0.0 111.976 . . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.79 -26.7 15.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.541 179.993 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.65 HG22 ' H ' ' A' ' 5' ' ' THR . 1.3 m -91.27 -145.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.523 -179.938 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.65 ' H ' HG22 ' A' ' 4' ' ' THR . 0.5 OUTLIER -159.95 157.83 25.96 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.535 179.983 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 167.6 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.042 2.495 . . . . 0.0 111.933 -179.835 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 tp -163.93 95.89 0.8 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.586 179.986 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.66 -20.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.566 -179.974 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 120.191 -1.568 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.47 ' C7 ' ' OG1' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 172.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.024 2.482 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.27 -167.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.563 -179.997 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.63 126.58 11.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.575 179.967 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -160.19 74.12 2.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.578 179.987 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.63 124.45 8.24 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.983 2.455 . . . . 0.0 111.985 179.974 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -76.17 -47.39 24.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.552 -179.933 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.8 tttt -156.62 104.66 2.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 -179.962 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 120.124 -1.61 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 162.76 0.07 OUTLIER 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 123.034 2.489 . . . . 0.0 112.034 . . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.13 107.34 4.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.563 -179.989 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.9 m -91.27 72.16 6.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.603 179.981 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.412 ' H ' ' H8A' ' A' ' 10' ' ' A2G . 0.2 OUTLIER -160.22 74.13 2.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.562 -179.963 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.977 ' C ' HD13 ' A' ' 7' ' ' LEU . 3.3 Cg_exo -75.51 9.22 2.28 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.95 2.433 . . . . 0.0 111.959 -179.817 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.977 HD13 ' C ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -161.19 66.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.516 178.489 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.747 ' CD ' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -82.12 -26.6 33.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.51 179.861 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 120.127 -1.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.412 ' H8A' ' H ' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.54 -161.33 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 123.05 2.5 . . . . 0.0 112.034 . . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.13 160.51 14.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.651 179.918 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.6 p -91.29 28.64 1.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.61 179.99 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.8 154.09 75.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.522 -179.943 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 138.74 7.8 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 123.018 2.478 . . . . 0.0 112.023 -179.699 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -76.08 167.5 21.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.551 -179.984 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -83.36 -0.58 50.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.555 179.99 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 120.076 -1.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 162.96 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.973 2.449 . . . . 0.0 112.001 . . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.22 -35.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.568 -179.988 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.725 ' O ' HG23 ' A' ' 4' ' ' THR . 14.8 t -148.34 56.31 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 179.913 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.76 159.52 71.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.549 -179.987 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 103.36 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.04 2.493 . . . . 0.0 111.995 -179.851 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mt -76.17 140.88 41.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.563 -179.985 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -83.37 2.63 35.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 -179.983 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.14 -1.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.43 163.29 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 123.016 2.477 . . . . 0.0 112.008 . . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.0 p -143.44 179.46 7.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.591 -179.806 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.69 129.23 13.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.614 179.943 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.68 115.91 57.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.98 0.419 . . . . 0.0 110.59 -179.977 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.53 147.35 31.9 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.059 2.506 . . . . 0.0 111.99 179.47 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt -76.08 149.93 37.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 -179.946 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.41 -18.33 39.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.603 179.928 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.134 -1.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.55 -162.83 0.17 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.013 2.476 . . . . 0.0 111.973 . . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.42 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 41.7 p -143.3 -177.77 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.603 -179.969 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.6 m -148.7 112.73 5.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.501 -179.982 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.96 76.06 2.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.556 -179.967 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 113.79 3.83 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.059 2.506 . . . . 0.0 111.948 179.856 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.91 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -76.06 163.88 26.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.593 179.989 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -156.58 56.0 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.551 -179.979 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.105 -1.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.42 ' H5 ' HG21 ' A' ' 3' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 077 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 148.42 1.35 Allowed 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.017 2.478 . . . . 0.0 112.013 . . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.16 -174.91 4.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.993 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.0 p -91.15 92.14 8.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.546 -179.936 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.465 ' CG2' ' O7 ' ' A' ' 10' ' ' A2G . 0.6 OUTLIER -79.65 159.39 71.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.551 179.982 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 134.28 9.87 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.045 2.496 . . . . 0.0 111.968 -179.811 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -163.88 35.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.543 179.979 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -156.65 17.28 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.535 179.999 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 120.128 -1.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 077 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.465 ' O7 ' ' CG2' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_