data_2lhx_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 2lhx _Structure_validation_residue.Date_analyzed 2016-10-07 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 . . . . . . . . . . . . . 62.7 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.791 0.329 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.4 155.48 38.69 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.55 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.747 0 C-N-CA 123.002 2.468 . . . . 0.0 112.004 -179.712 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.702 0.287 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.79 154.25 39.13 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.59 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.306 -1.705 0 C-N-CA 123.02 2.48 . . . . 0.0 112.006 -179.343 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.811 0.338 . . . . 0.0 110.651 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.24 146.17 30.83 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.447 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.306 -1.703 0 C-N-CA 123.014 2.476 . . . . 0.0 112.008 -179.184 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.823 0.344 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.99 164.37 18.8 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.51 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.305 -1.729 0 C-N-CA 123.053 2.502 . . . . 0.0 112.035 179.774 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.763 0.316 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.5 p -95.63 150.09 36.97 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.558 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.304 -1.789 0 C-N-CA 123.022 2.481 . . . . 0.0 111.968 -179.408 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.825 0.345 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.44 164.83 18.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.559 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 C--N 1.305 -1.75 0 C-N-CA 123.053 2.502 . . . . 0.0 112.028 -179.237 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.6 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.761 0.315 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.42 154.74 39.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.305 -1.713 0 C-N-CA 123.056 2.504 . . . . 0.0 111.964 -179.561 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.831 0.348 . . . . 0.0 110.545 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.4 p -95.73 149.25 35.8 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.601 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.782 0 C-N-CA 123.054 2.502 . . . . 0.0 111.931 -179.677 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.527 0.062 0 CA-C-O 120.831 0.348 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.16 167.69 11.97 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.59 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.305 -1.748 0 C-N-CA 123.049 2.499 . . . . 0.0 112.012 179.624 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.869 0.366 . . . . 0.0 110.513 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -95.81 149.42 36.0 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.493 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.306 -1.67 0 C-N-CA 122.976 2.451 . . . . 0.0 111.962 -179.694 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.79 0.328 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.89 153.99 39.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.305 -1.719 0 C-N-CA 123.043 2.495 . . . . 0.0 111.996 -179.238 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.815 0.34 . . . . 0.0 110.503 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.2 p -95.37 149.78 36.63 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.559 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.305 -1.748 0 C-N-CA 123.086 2.524 . . . . 0.0 111.985 -179.636 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 121.139 0.495 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.06 153.59 39.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.258 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.305 -1.721 0 C-N-CA 122.662 2.241 . . . . 0.0 112.07 -179.411 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.798 0.332 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.04 155.26 38.46 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.591 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.718 0 C-N-CA 123.013 2.475 . . . . 0.0 111.984 -179.704 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.6 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.732 0.301 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.4 154.02 39.45 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.592 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.759 0 C-N-CA 123.073 2.515 . . . . 0.0 112.016 -179.6 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.811 0.339 . . . . 0.0 110.502 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.84 154.62 39.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.569 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.743 0 C-N-CA 123.071 2.514 . . . . 0.0 111.962 -179.683 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.0 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.789 0.328 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.24 167.8 12.19 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.593 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.303 -1.827 0 C-N-CA 123.049 2.5 . . . . 0.0 111.964 179.799 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.3 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.795 0.331 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.9 155.38 38.42 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.566 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.802 0 C-N-CA 123.035 2.49 . . . . 0.0 111.981 -179.167 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.5 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.804 0.335 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.37 155.29 38.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.306 -1.686 0 C-N-CA 123.109 2.539 . . . . 0.0 112.01 -179.157 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.797 0.332 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.6 p -95.86 149.93 36.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.306 -1.706 0 C-N-CA 123.075 2.517 . . . . 0.0 111.941 -179.628 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.1 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.83 0.348 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.0 p -95.38 149.37 36.06 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.608 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.724 0 C-N-CA 123.011 2.474 . . . . 0.0 112.02 -179.539 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.0 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.816 0.341 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.44 154.51 39.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.497 -179.792 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.746 0 C-N-CA 123.062 2.508 . . . . 0.0 112.0 -179.699 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.6 p . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.79 0.328 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.35 155.26 38.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.629 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.306 -1.706 0 C-N-CA 123.026 2.484 . . . . 0.0 112.058 -179.586 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.5 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.794 0.33 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.4 p -95.37 148.83 35.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 -179.766 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.774 0 C-N-CA 123.067 2.512 . . . . 0.0 111.943 -179.48 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 112.11 0.33 Allowed 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.042 2.495 . . . . 0.0 112.009 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.3 m -148.71 143.97 26.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.554 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.7 p -138.87 171.95 13.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.595 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.4 155.48 38.69 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.55 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.532 ' O ' ' C ' ' A' ' 7' ' ' LEU . 2.8 Cg_endo -44.56 99.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.002 2.468 . . . . 0.0 112.004 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.532 ' C ' ' O ' ' A' ' 6' ' ' PRO . 2.1 tp 28.81 -144.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.589 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.446 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -79.69 172.7 13.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.524 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 120.096 -1.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 -69.14 0.09 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 123.024 2.483 . . . . 0.0 111.96 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 49.2 p -148.71 -174.63 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.61 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.35 -177.46 3.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.609 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.594 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -95.79 154.25 39.13 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.59 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 79.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 123.02 2.48 . . . . 0.0 112.006 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.594 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.1 tp -171.94 159.68 5.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.524 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 mttp -79.69 169.3 18.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.623 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 120.206 -1.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.42 -70.38 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.038 2.492 . . . . 0.0 112.004 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.66 151.71 35.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.542 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -138.95 146.01 40.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.651 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -95.24 146.17 30.83 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.447 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.03 88.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 123.014 2.476 . . . . 0.0 112.008 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 5' ' ' THR . 32.3 tp -171.88 67.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.571 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -160.21 -17.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.604 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.4 0 O-C-N 120.13 -1.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.456 ' HO4' ' H15' ' A' ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 103.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.969 2.446 . . . . 0.0 111.944 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.518 ' H ' ' HG1' ' A' ' 3' ' ' THR . 0.8 OUTLIER -91.35 168.18 11.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.561 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.77 -175.79 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.629 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.99 164.37 18.8 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.51 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.41 91.16 1.07 Allowed 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.053 2.502 . . . . 0.0 112.035 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 tt -170.98 135.76 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.534 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -79.69 -71.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.577 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 120.207 -1.558 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.051 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.52 -66.03 0.17 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.998 2.465 . . . . 0.0 111.978 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.67 168.29 23.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.554 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.2 p -138.84 172.68 12.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.623 ' O ' ' N ' ' A' ' 7' ' ' LEU . 6.5 p -95.63 150.09 36.97 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.558 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.57 ' O ' ' C ' ' A' ' 7' ' ' LEU . 2.8 Cg_endo -44.55 77.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 123.022 2.481 . . . . 0.0 111.968 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.623 ' N ' ' O ' ' A' ' 5' ' ' THR . 32.2 tp 25.22 76.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.4 tttt 43.5 -91.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . 0.484 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.106 -1.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . 0.456 ' HO4' ' HO3' ' A' ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 162.4 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.988 2.459 . . . . 0.0 112.011 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.71 129.83 14.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.569 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.71 -166.31 1.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.538 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.414 ' C ' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -94.44 164.83 18.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.559 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.43 21.19 0.47 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.053 2.502 . . . . 0.0 112.028 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.414 ' H ' ' C ' ' A' ' 5' ' ' THR . 2.4 mp -70.26 164.57 24.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.491 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -79.67 -11.71 59.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.552 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 120.125 -1.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 -65.4 0.2 Allowed 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.048 2.499 . . . . 0.0 112.0 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.8 p -91.36 145.48 24.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.499 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.6 p -138.82 167.5 21.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.597 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.42 154.74 39.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.538 ' O ' ' C ' ' A' ' 7' ' ' LEU . 2.9 Cg_endo -44.64 99.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 123.056 2.504 . . . . 0.0 111.964 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.538 ' C ' ' O ' ' A' ' 6' ' ' PRO . 1.8 tp 28.25 -143.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.572 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.513 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 37.1 mtmt -79.58 -134.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.554 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 120.111 -1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.51 -65.46 0.19 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 123.079 2.52 . . . . 0.0 111.976 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -91.27 155.89 18.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.593 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.24 -178.6 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.545 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.4 p -95.73 149.25 35.8 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.601 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 122.75 4.25 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 123.054 2.502 . . . . 0.0 111.931 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 0.8 OUTLIER -68.98 154.0 42.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.573 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.7 tttp 43.76 -90.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.581 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . 0.496 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.112 -1.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.418 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.9 Cg_endo -44.63 175.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 123.04 2.493 . . . . 0.0 111.991 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.75 130.9 15.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.574 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.78 -176.25 4.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.493 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.16 167.69 11.97 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.59 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.49 133.25 15.65 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.049 2.499 . . . . 0.0 112.012 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.0 tp -68.9 143.98 54.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.563 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -79.67 -5.14 54.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.551 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 120.109 -1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 106.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.055 2.503 . . . . 0.0 111.968 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 t -148.67 -168.78 3.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.548 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.87 178.84 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.513 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -95.81 149.42 36.0 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.493 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.77 134.36 10.28 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.976 2.451 . . . . 0.0 111.962 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 pp -68.96 131.38 44.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.621 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -160.26 55.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.542 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.393 0 O-C-N 120.151 -1.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 -49.09 9.58 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.065 2.51 . . . . 0.0 111.972 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -91.23 134.08 34.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.587 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.84 178.56 7.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.547 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.6 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -95.89 153.99 39.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 79.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 123.043 2.495 . . . . 0.0 111.996 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.6 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -172.11 168.41 5.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.609 179.781 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.3 tttp -160.32 -25.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.507 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.152 -1.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.442 ' O6 ' ' O4 ' ' A' ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 103.5 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.945 2.43 . . . . 0.0 112.066 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.2 t -91.35 160.07 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.571 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.48 -174.22 2.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.503 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.2 p -95.37 149.78 36.63 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.559 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 165.67 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.086 2.524 . . . . 0.0 111.985 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.6 126.43 29.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.559 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.25 149.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.541 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 120.214 -1.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.67 113.6 0.49 Allowed 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.971 2.447 . . . . 0.0 111.915 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 m -148.78 135.44 19.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.775 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.81 178.9 6.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.139 0.495 . . . . 0.0 110.342 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.06 153.59 39.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.258 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.554 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.9 Cg_endo -45.98 126.4 9.39 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.662 2.241 . . . . 0.0 112.07 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.714 ' CD2' ' H ' ' A' ' 7' ' ' LEU . 1.7 pt? -68.31 40.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.686 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.554 ' H ' ' C ' ' A' ' 6' ' ' PRO . 5.1 ptmm? -160.27 173.71 15.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.594 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.186 -1.572 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.474 ' HO3' ' HO4' ' A' ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.054 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 101.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 123.039 2.492 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 t -91.27 149.06 21.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.613 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.81 178.97 6.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.592 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.04 155.26 38.46 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.591 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.544 ' O ' ' C ' ' A' ' 7' ' ' LEU . 2.8 Cg_endo -44.53 100.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 123.013 2.475 . . . . 0.0 111.984 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.544 ' C ' ' O ' ' A' ' 6' ' ' PRO . 2.6 tp 28.54 -143.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.59 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.463 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 29.0 tttp -79.74 109.95 14.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.509 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.114 -1.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.469 ' HO4' ' H15' ' A' ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 168.27 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.985 2.456 . . . . 0.0 111.985 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 62.1 p -91.18 163.95 14.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.607 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.6 p -138.87 171.69 13.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.601 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.616 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -95.4 154.02 39.45 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.592 -179.867 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 78.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.073 2.515 . . . . 0.0 112.016 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.616 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.2 tp -171.83 -159.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.504 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -160.42 173.06 16.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.596 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.076 -1.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.514 ' HO4' ' H15' ' A' ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.449 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.23 0.065 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 -16.7 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.951 2.434 . . . . 0.0 111.982 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 1' ' ' ACE . 0.1 OUTLIER -91.21 137.64 32.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.609 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.27 179.15 4.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.502 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.84 154.62 39.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.569 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.544 ' O ' ' C ' ' A' ' 7' ' ' LEU . 2.8 Cg_endo -44.58 96.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 123.071 2.514 . . . . 0.0 111.962 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.544 ' C ' ' O ' ' A' ' 6' ' ' PRO . 2.0 tp 28.26 -142.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.531 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.534 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 36.6 tttt 43.76 86.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 120.146 -1.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 104.9 1.98 Allowed 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.031 2.487 . . . . 0.0 111.995 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.76 105.25 3.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.561 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.0 p -101.74 -171.6 2.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.577 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.24 167.8 12.19 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.593 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 135.35 18.04 Favored 'Trans proline' 0 C--N 1.303 -1.827 0 C-N-CA 123.049 2.5 . . . . 0.0 111.964 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.7 tp -68.8 145.09 54.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.538 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -79.66 -6.57 57.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.573 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.119 -1.613 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 128.42 8.37 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.008 2.472 . . . . 0.0 111.998 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.2 p -91.36 116.47 28.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.3 p -101.73 179.41 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.581 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.9 155.38 38.42 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.566 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.594 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.9 Cg_endo -44.64 134.9 9.84 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 123.035 2.49 . . . . 0.0 111.981 -179.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.9 16.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.57 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.594 ' H ' ' C ' ' A' ' 6' ' ' PRO . 2.9 ttmt -160.28 176.93 11.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . 0.552 ' N ' ' CG ' ' A' ' 8' ' ' LYS . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 120.062 -1.649 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 129.21 8.91 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 123.092 2.528 . . . . 0.0 111.988 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.6 m -148.7 108.14 3.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.571 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.5 p -138.86 169.89 16.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.572 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.37 155.29 38.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.57 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.9 Cg_endo -44.59 136.15 9.17 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 123.109 2.539 . . . . 0.0 112.01 -179.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.453 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 1.2 pp -68.97 15.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.592 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.57 ' H ' ' C ' ' A' ' 6' ' ' PRO . 3.7 tttm 77.31 36.16 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.122 -1.611 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.404 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.9 Cg_endo -44.62 173.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.045 2.497 . . . . 0.0 112.009 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -91.24 143.86 26.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.2 -176.46 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.58 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.6 p -95.86 149.93 36.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 143.58 3.96 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 123.075 2.517 . . . . 0.0 111.941 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 8' ' ' LYS . 34.6 tp -68.97 110.12 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.574 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 7' ' ' LEU . 8.3 mmpt? 43.8 -168.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.55 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.296 0 O-C-N 120.111 -1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.06 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 139.61 6.97 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.019 2.479 . . . . 0.0 111.995 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.5 p -91.34 106.84 18.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.533 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.1 p -138.84 173.42 11.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.54 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.0 p -95.38 149.37 36.06 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.608 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 138.63 7.72 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 123.011 2.474 . . . . 0.0 112.02 -179.539 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.02 150.11 48.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.532 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.17 104.72 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.568 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.296 0 O-C-N 120.156 -1.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 109.28 0.16 Allowed 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 123.002 2.468 . . . . 0.0 112.029 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.9 p -148.56 61.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.605 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.0 p -101.46 178.98 4.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.572 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.44 154.51 39.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.497 -179.792 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.553 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.8 Cg_endo -44.5 136.79 8.66 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.062 2.508 . . . . 0.0 112.0 -179.699 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.743 ' CD2' ' H ' ' A' ' 7' ' ' LEU . 1.7 pt? -68.48 40.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.574 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.553 ' H ' ' C ' ' A' ' 6' ' ' PRO . 3.2 ptpt -160.48 33.13 0.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.612 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 120.122 -1.611 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 172.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 123.063 2.509 . . . . 0.0 111.907 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.5 t -148.75 156.84 42.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.525 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.6 p -138.82 168.04 20.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.558 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.35 155.26 38.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.629 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.548 ' O ' ' C ' ' A' ' 7' ' ' LEU . 2.8 Cg_endo -44.48 95.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 123.026 2.484 . . . . 0.0 112.058 -179.586 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.548 ' C ' ' O ' ' A' ' 6' ' ' PRO . 2.2 tp 27.88 -141.84 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.608 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.495 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 8.1 tptt -160.25 113.14 2.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.608 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 120.193 -1.567 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.406 ' HO3' ' HO4' ' A' ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 -57.91 1.78 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 123.022 2.482 . . . . 0.0 112.036 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.3 166.58 12.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.562 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.5 p -101.6 -178.93 3.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.597 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.4 p -95.37 148.83 35.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 -179.766 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 123.07 4.4 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 123.067 2.512 . . . . 0.0 111.943 -179.48 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.01 152.15 45.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.499 ' CG ' ' HN2' ' A' ' 9' ' ' NH2 . 0.4 OUTLIER 43.69 -117.11 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.621 -179.938 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . 0.499 ' HN2' ' CG ' ' A' ' 8' ' ' LYS . . . . . . . . 0 C--N 1.304 -1.413 0 O-C-N 120.16 -1.587 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.7 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.791 0.329 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.4 155.48 38.69 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.55 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.747 0 C-N-CA 123.002 2.468 . . . . 0.0 112.004 -179.712 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.702 0.287 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.79 154.25 39.13 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.59 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.306 -1.705 0 C-N-CA 123.02 2.48 . . . . 0.0 112.006 -179.343 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.811 0.338 . . . . 0.0 110.651 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.24 146.17 30.83 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.447 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.306 -1.703 0 C-N-CA 123.014 2.476 . . . . 0.0 112.008 -179.184 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.823 0.344 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.99 164.37 18.8 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.51 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.305 -1.729 0 C-N-CA 123.053 2.502 . . . . 0.0 112.035 179.774 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.763 0.316 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.5 p -95.63 150.09 36.97 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.558 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.304 -1.789 0 C-N-CA 123.022 2.481 . . . . 0.0 111.968 -179.408 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.825 0.345 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.44 164.83 18.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.559 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 C--N 1.305 -1.75 0 C-N-CA 123.053 2.502 . . . . 0.0 112.028 -179.237 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.6 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.761 0.315 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.42 154.74 39.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.305 -1.713 0 C-N-CA 123.056 2.504 . . . . 0.0 111.964 -179.561 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.831 0.348 . . . . 0.0 110.545 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.4 p -95.73 149.25 35.8 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.601 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.782 0 C-N-CA 123.054 2.502 . . . . 0.0 111.931 -179.677 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.527 0.062 0 CA-C-O 120.831 0.348 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.16 167.69 11.97 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.59 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.305 -1.748 0 C-N-CA 123.049 2.499 . . . . 0.0 112.012 179.624 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.869 0.366 . . . . 0.0 110.513 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -95.81 149.42 36.0 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.493 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.306 -1.67 0 C-N-CA 122.976 2.451 . . . . 0.0 111.962 -179.694 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.79 0.328 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.89 153.99 39.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.305 -1.719 0 C-N-CA 123.043 2.495 . . . . 0.0 111.996 -179.238 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.815 0.34 . . . . 0.0 110.503 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.2 p -95.37 149.78 36.63 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.559 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.305 -1.748 0 C-N-CA 123.086 2.524 . . . . 0.0 111.985 -179.636 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 121.139 0.495 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.06 153.59 39.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.258 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.305 -1.721 0 C-N-CA 122.662 2.241 . . . . 0.0 112.07 -179.411 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.798 0.332 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.04 155.26 38.46 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.591 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.718 0 C-N-CA 123.013 2.475 . . . . 0.0 111.984 -179.704 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.6 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.732 0.301 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.4 154.02 39.45 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.592 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.759 0 C-N-CA 123.073 2.515 . . . . 0.0 112.016 -179.6 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.811 0.339 . . . . 0.0 110.502 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.84 154.62 39.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.569 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.743 0 C-N-CA 123.071 2.514 . . . . 0.0 111.962 -179.683 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.0 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.789 0.328 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.24 167.8 12.19 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.593 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.303 -1.827 0 C-N-CA 123.049 2.5 . . . . 0.0 111.964 179.799 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.3 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.795 0.331 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.9 155.38 38.42 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.566 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.802 0 C-N-CA 123.035 2.49 . . . . 0.0 111.981 -179.167 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.5 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.804 0.335 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.37 155.29 38.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.306 -1.686 0 C-N-CA 123.109 2.539 . . . . 0.0 112.01 -179.157 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.797 0.332 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.6 p -95.86 149.93 36.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.306 -1.706 0 C-N-CA 123.075 2.517 . . . . 0.0 111.941 -179.628 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.1 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.83 0.348 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.0 p -95.38 149.37 36.06 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.608 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.724 0 C-N-CA 123.011 2.474 . . . . 0.0 112.02 -179.539 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.0 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.816 0.341 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.44 154.51 39.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.497 -179.792 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.746 0 C-N-CA 123.062 2.508 . . . . 0.0 112.0 -179.699 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.6 p . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.79 0.328 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.35 155.26 38.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.629 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.306 -1.706 0 C-N-CA 123.026 2.484 . . . . 0.0 112.058 -179.586 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.5 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.794 0.33 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.4 p -95.37 148.83 35.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 -179.766 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.774 0 C-N-CA 123.067 2.512 . . . . 0.0 111.943 -179.48 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 112.11 0.33 Allowed 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.042 2.495 . . . . 0.0 112.009 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.3 m -148.71 143.97 26.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.554 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.401 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 62.7 p -138.87 171.95 13.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.595 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.4 155.48 38.69 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.55 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.532 ' O ' ' C ' ' A' ' 7' ' ' LEU . 2.8 Cg_endo -44.56 99.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.002 2.468 . . . . 0.0 112.004 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.532 ' C ' ' O ' ' A' ' 6' ' ' PRO . 2.1 tp 28.81 -144.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.589 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -79.69 172.7 13.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.524 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 120.096 -1.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.401 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 -69.14 0.09 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 123.024 2.483 . . . . 0.0 111.96 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 49.2 p -148.71 -174.63 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.61 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.35 -177.46 3.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.609 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.594 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -95.79 154.25 39.13 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.59 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 79.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 123.02 2.48 . . . . 0.0 112.006 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.594 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.1 tp -171.94 159.68 5.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.524 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.736 ' O ' ' H8 ' ' A' ' 11' ' ' A2G . 11.0 mttp -79.69 169.3 18.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.623 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 120.206 -1.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' A2G . . . . . 0.736 ' H8 ' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.42 -70.38 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.038 2.492 . . . . 0.0 112.004 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.66 151.71 35.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.542 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -138.95 146.01 40.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.651 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -95.24 146.17 30.83 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.447 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.03 88.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 123.014 2.476 . . . . 0.0 112.008 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 5' ' ' THR . 32.3 tp -171.88 67.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.571 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -160.21 -17.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.604 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.4 0 O-C-N 120.13 -1.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 103.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.969 2.446 . . . . 0.0 111.944 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -91.35 168.18 11.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.561 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.77 -175.79 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.629 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.99 164.37 18.8 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.51 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.41 91.16 1.07 Allowed 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.053 2.502 . . . . 0.0 112.035 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.485 ' O ' ' H8A' ' A' ' 11' ' ' A2G . 4.8 tt -170.98 135.76 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.534 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -79.69 -71.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.577 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 120.207 -1.558 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' A2G . . . . . 0.485 ' H8A' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.051 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.52 -66.03 0.17 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.998 2.465 . . . . 0.0 111.978 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.67 168.29 23.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.554 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.414 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 71.2 p -138.84 172.68 12.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.623 ' O ' ' N ' ' A' ' 7' ' ' LEU . 6.5 p -95.63 150.09 36.97 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.558 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.57 ' O ' ' C ' ' A' ' 7' ' ' LEU . 2.8 Cg_endo -44.55 77.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 123.022 2.481 . . . . 0.0 111.968 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.623 ' N ' ' O ' ' A' ' 5' ' ' THR . 32.2 tp 25.22 76.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.4 tttt 43.5 -91.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . 0.484 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.106 -1.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.414 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 162.4 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.988 2.459 . . . . 0.0 112.011 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.71 129.83 14.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.569 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.71 -166.31 1.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.538 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.44 164.83 18.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.559 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.43 21.19 0.47 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.053 2.502 . . . . 0.0 112.028 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mp -70.26 164.57 24.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.491 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -79.67 -11.71 59.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.552 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 120.125 -1.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 -65.4 0.2 Allowed 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.048 2.499 . . . . 0.0 112.0 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.8 p -91.36 145.48 24.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.499 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.4 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 80.6 p -138.82 167.5 21.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.597 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.42 154.74 39.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.538 ' O ' ' C ' ' A' ' 7' ' ' LEU . 2.9 Cg_endo -44.64 99.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 123.056 2.504 . . . . 0.0 111.964 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.538 ' C ' ' O ' ' A' ' 6' ' ' PRO . 1.8 tp 28.25 -143.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.572 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.478 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 37.1 mtmt -79.58 -134.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.554 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 120.111 -1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.4 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.51 -65.46 0.19 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 123.079 2.52 . . . . 0.0 111.976 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -91.27 155.89 18.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.593 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.24 -178.6 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.545 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.4 p -95.73 149.25 35.8 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.601 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 122.75 4.25 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 123.054 2.502 . . . . 0.0 111.931 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 0.8 OUTLIER -68.98 154.0 42.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.573 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.7 tttp 43.76 -90.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.581 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . 0.496 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.112 -1.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.418 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.9 Cg_endo -44.63 175.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 123.04 2.493 . . . . 0.0 111.991 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.75 130.9 15.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.574 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.78 -176.25 4.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.493 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.16 167.69 11.97 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.59 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.49 133.25 15.65 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.049 2.499 . . . . 0.0 112.012 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 7' ' ' LEU . 32.0 tp -68.9 143.98 54.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.563 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -79.67 -5.14 54.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.551 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 120.109 -1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 106.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.055 2.503 . . . . 0.0 111.968 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 t -148.67 -168.78 3.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.548 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.87 178.84 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.513 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -95.81 149.42 36.0 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.493 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.77 134.36 10.28 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.976 2.451 . . . . 0.0 111.962 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 pp -68.96 131.38 44.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.621 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -160.26 55.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.542 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.393 0 O-C-N 120.151 -1.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 -49.09 9.58 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.065 2.51 . . . . 0.0 111.972 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.415 ' H ' HG22 ' A' ' 3' ' ' THR . 0.5 OUTLIER -91.23 134.08 34.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.587 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.84 178.56 7.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.547 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.6 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -95.89 153.99 39.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 79.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 123.043 2.495 . . . . 0.0 111.996 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.6 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -172.11 168.41 5.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.609 179.781 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.3 tttp -160.32 -25.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.507 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.152 -1.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.441 ' O6 ' ' O4 ' ' A' ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 103.5 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.945 2.43 . . . . 0.0 112.066 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.2 t -91.35 160.07 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.571 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.48 -174.22 2.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.503 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.2 p -95.37 149.78 36.63 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.559 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 165.67 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.086 2.524 . . . . 0.0 111.985 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.6 126.43 29.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.559 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.25 149.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.541 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 120.214 -1.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.67 113.6 0.49 Allowed 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.971 2.447 . . . . 0.0 111.915 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 m -148.78 135.44 19.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.775 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.81 178.9 6.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.139 0.495 . . . . 0.0 110.342 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.06 153.59 39.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.258 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.517 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.9 Cg_endo -45.98 126.4 9.39 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.662 2.241 . . . . 0.0 112.07 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.998 HD23 ' H ' ' A' ' 7' ' ' LEU . 1.7 pt? -68.31 40.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.686 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.517 ' H ' ' C ' ' A' ' 6' ' ' PRO . 5.1 ptmm? -160.27 173.71 15.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.594 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.186 -1.572 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.054 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 101.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 123.039 2.492 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 t -91.27 149.06 21.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.613 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.81 178.97 6.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.592 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.04 155.26 38.46 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.591 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.544 ' O ' ' C ' ' A' ' 7' ' ' LEU . 2.8 Cg_endo -44.53 100.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 123.013 2.475 . . . . 0.0 111.984 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.544 ' C ' ' O ' ' A' ' 6' ' ' PRO . 2.6 tp 28.54 -143.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.59 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.436 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 29.0 tttp -79.74 109.95 14.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.509 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.114 -1.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 168.27 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.985 2.456 . . . . 0.0 111.985 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 62.1 p -91.18 163.95 14.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.607 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.6 p -138.87 171.69 13.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.601 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.616 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -95.4 154.02 39.45 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.592 -179.867 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 78.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.073 2.515 . . . . 0.0 112.016 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.616 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.2 tp -171.83 -159.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.504 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -160.42 173.06 16.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.596 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.076 -1.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.404 ' O6 ' ' O4 ' ' A' ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.449 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.23 0.065 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 -16.7 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.951 2.434 . . . . 0.0 111.982 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 1' ' ' ACE . 0.1 OUTLIER -91.21 137.64 32.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.609 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.27 179.15 4.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.502 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.84 154.62 39.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.569 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.544 ' O ' ' C ' ' A' ' 7' ' ' LEU . 2.8 Cg_endo -44.58 96.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 123.071 2.514 . . . . 0.0 111.962 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.544 ' C ' ' O ' ' A' ' 6' ' ' PRO . 2.0 tp 28.26 -142.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.531 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.502 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 36.6 tttt 43.76 86.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 120.146 -1.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 104.9 1.98 Allowed 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.031 2.487 . . . . 0.0 111.995 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.76 105.25 3.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.561 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.0 p -101.74 -171.6 2.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.577 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.24 167.8 12.19 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.593 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 135.35 18.04 Favored 'Trans proline' 0 C--N 1.303 -1.827 0 C-N-CA 123.049 2.5 . . . . 0.0 111.964 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.7 tp -68.8 145.09 54.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.538 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -79.66 -6.57 57.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.573 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.119 -1.613 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 128.42 8.37 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.008 2.472 . . . . 0.0 111.998 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.2 p -91.36 116.47 28.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.3 p -101.73 179.41 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.581 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.9 155.38 38.42 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.566 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.545 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.9 Cg_endo -44.64 134.9 9.84 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 123.035 2.49 . . . . 0.0 111.981 -179.167 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.9 16.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.57 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.552 ' CG ' ' N ' ' A' ' 9' ' ' NH2 . 2.9 ttmt -160.28 176.93 11.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . 0.552 ' N ' ' CG ' ' A' ' 8' ' ' LYS . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 120.062 -1.649 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 129.21 8.91 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 123.092 2.528 . . . . 0.0 111.988 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.6 m -148.7 108.14 3.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.571 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.5 p -138.86 169.89 16.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.572 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.37 155.29 38.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.535 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.9 Cg_endo -44.59 136.15 9.17 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 123.109 2.539 . . . . 0.0 112.01 -179.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.453 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 1.2 pp -68.97 15.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.592 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.535 ' H ' ' C ' ' A' ' 6' ' ' PRO . 3.7 tttm 77.31 36.16 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.122 -1.611 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.404 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.9 Cg_endo -44.62 173.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.045 2.497 . . . . 0.0 112.009 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -91.24 143.86 26.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.2 -176.46 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.58 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.6 p -95.86 149.93 36.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 143.58 3.96 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 123.075 2.517 . . . . 0.0 111.941 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 8' ' ' LYS . 34.6 tp -68.97 110.12 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.574 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' H ' ' HE2' ' A' ' 8' ' ' LYS . 8.3 mmpt? 43.8 -168.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.55 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.296 0 O-C-N 120.111 -1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.06 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 139.61 6.97 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.019 2.479 . . . . 0.0 111.995 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.5 p -91.34 106.84 18.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.533 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.406 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 75.1 p -138.84 173.42 11.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.54 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.0 p -95.38 149.37 36.06 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.608 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 138.63 7.72 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 123.011 2.474 . . . . 0.0 112.02 -179.539 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.597 HD12 ' H8 ' ' A' ' 11' ' ' A2G . 0.9 OUTLIER -69.02 150.11 48.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.532 -179.907 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.17 104.72 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.568 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.296 0 O-C-N 120.156 -1.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.406 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' A2G . . . . . 0.597 ' H8 ' HD12 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 109.28 0.16 Allowed 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 123.002 2.468 . . . . 0.0 112.029 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.9 p -148.56 61.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.605 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.0 p -101.46 178.98 4.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.572 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.44 154.51 39.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.497 -179.792 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.52 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.8 Cg_endo -44.5 136.79 8.66 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.062 2.508 . . . . 0.0 112.0 -179.699 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.028 HD23 ' H ' ' A' ' 7' ' ' LEU . 1.7 pt? -68.48 40.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.574 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.52 ' H ' ' C ' ' A' ' 6' ' ' PRO . 3.2 ptpt -160.48 33.13 0.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.612 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 120.122 -1.611 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 172.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 123.063 2.509 . . . . 0.0 111.907 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.5 t -148.75 156.84 42.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.525 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.428 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 76.6 p -138.82 168.04 20.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.558 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.35 155.26 38.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.629 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.548 ' O ' ' C ' ' A' ' 7' ' ' LEU . 2.8 Cg_endo -44.48 95.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 123.026 2.484 . . . . 0.0 112.058 -179.586 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.548 ' C ' ' O ' ' A' ' 6' ' ' PRO . 2.2 tp 27.88 -141.84 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.608 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 8.1 tptt -160.25 113.14 2.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.608 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 120.193 -1.567 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.428 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 -57.91 1.78 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 123.022 2.482 . . . . 0.0 112.036 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.3 166.58 12.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.562 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.422 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 28.5 p -101.6 -178.93 3.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.597 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.4 p -95.37 148.83 35.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 -179.766 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 123.07 4.4 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 123.067 2.512 . . . . 0.0 111.943 -179.48 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.01 152.15 45.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 43.69 -117.11 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.621 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.413 0 O-C-N 120.16 -1.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.453 ' HO4' ' H15' ' A' ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.7 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.791 0.329 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.4 155.48 38.69 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.55 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.747 0 C-N-CA 123.002 2.468 . . . . 0.0 112.004 -179.712 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.702 0.287 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.79 154.25 39.13 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.59 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.306 -1.705 0 C-N-CA 123.02 2.48 . . . . 0.0 112.006 -179.343 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.811 0.338 . . . . 0.0 110.651 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.24 146.17 30.83 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.447 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.306 -1.703 0 C-N-CA 123.014 2.476 . . . . 0.0 112.008 -179.184 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.823 0.344 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.99 164.37 18.8 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.51 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.305 -1.729 0 C-N-CA 123.053 2.502 . . . . 0.0 112.035 179.774 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.763 0.316 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.5 p -95.63 150.09 36.97 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.558 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.304 -1.789 0 C-N-CA 123.022 2.481 . . . . 0.0 111.968 -179.408 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.825 0.345 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.44 164.83 18.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.559 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 C--N 1.305 -1.75 0 C-N-CA 123.053 2.502 . . . . 0.0 112.028 -179.237 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.6 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.761 0.315 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.42 154.74 39.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.305 -1.713 0 C-N-CA 123.056 2.504 . . . . 0.0 111.964 -179.561 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.831 0.348 . . . . 0.0 110.545 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.4 p -95.73 149.25 35.8 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.601 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.782 0 C-N-CA 123.054 2.502 . . . . 0.0 111.931 -179.677 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.527 0.062 0 CA-C-O 120.831 0.348 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.16 167.69 11.97 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.59 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.305 -1.748 0 C-N-CA 123.049 2.499 . . . . 0.0 112.012 179.624 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.869 0.366 . . . . 0.0 110.513 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -95.81 149.42 36.0 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.493 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.306 -1.67 0 C-N-CA 122.976 2.451 . . . . 0.0 111.962 -179.694 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.79 0.328 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.89 153.99 39.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.305 -1.719 0 C-N-CA 123.043 2.495 . . . . 0.0 111.996 -179.238 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.815 0.34 . . . . 0.0 110.503 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.2 p -95.37 149.78 36.63 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.559 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.305 -1.748 0 C-N-CA 123.086 2.524 . . . . 0.0 111.985 -179.636 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 121.139 0.495 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.06 153.59 39.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.258 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.305 -1.721 0 C-N-CA 122.662 2.241 . . . . 0.0 112.07 -179.411 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.798 0.332 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.04 155.26 38.46 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.591 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.718 0 C-N-CA 123.013 2.475 . . . . 0.0 111.984 -179.704 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.6 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.732 0.301 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.4 154.02 39.45 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.592 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.759 0 C-N-CA 123.073 2.515 . . . . 0.0 112.016 -179.6 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.811 0.339 . . . . 0.0 110.502 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.84 154.62 39.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.569 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.743 0 C-N-CA 123.071 2.514 . . . . 0.0 111.962 -179.683 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.0 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.789 0.328 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.24 167.8 12.19 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.593 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.303 -1.827 0 C-N-CA 123.049 2.5 . . . . 0.0 111.964 179.799 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.3 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.795 0.331 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.9 155.38 38.42 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.566 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.802 0 C-N-CA 123.035 2.49 . . . . 0.0 111.981 -179.167 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.5 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.804 0.335 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.37 155.29 38.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.306 -1.686 0 C-N-CA 123.109 2.539 . . . . 0.0 112.01 -179.157 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.797 0.332 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.6 p -95.86 149.93 36.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.306 -1.706 0 C-N-CA 123.075 2.517 . . . . 0.0 111.941 -179.628 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.1 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.83 0.348 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.0 p -95.38 149.37 36.06 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.608 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.724 0 C-N-CA 123.011 2.474 . . . . 0.0 112.02 -179.539 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.0 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.816 0.341 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.44 154.51 39.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.497 -179.792 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.305 -1.746 0 C-N-CA 123.062 2.508 . . . . 0.0 112.0 -179.699 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.6 p . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.79 0.328 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.35 155.26 38.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.629 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 C--N 1.306 -1.706 0 C-N-CA 123.026 2.484 . . . . 0.0 112.058 -179.586 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.5 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.794 0.33 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.4 p -95.37 148.83 35.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 -179.766 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 C--N 1.304 -1.774 0 C-N-CA 123.067 2.512 . . . . 0.0 111.943 -179.48 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 112.11 0.33 Allowed 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.042 2.495 . . . . 0.0 112.009 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.3 m -148.71 143.97 26.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.554 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.401 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 62.7 p -138.87 171.95 13.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.595 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.4 155.48 38.69 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.55 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.532 ' O ' ' C ' ' A' ' 7' ' ' LEU . 2.8 Cg_endo -44.56 99.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.002 2.468 . . . . 0.0 112.004 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.532 ' C ' ' O ' ' A' ' 6' ' ' PRO . 2.1 tp 28.81 -144.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.589 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -79.69 172.7 13.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.524 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 120.096 -1.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.401 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 -69.14 0.09 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 123.024 2.483 . . . . 0.0 111.96 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 49.2 p -148.71 -174.63 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.61 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.35 -177.46 3.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.609 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.594 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -95.79 154.25 39.13 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.59 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 79.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 123.02 2.48 . . . . 0.0 112.006 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.594 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.1 tp -171.94 159.68 5.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.524 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.736 ' O ' ' H8 ' ' A' ' 11' ' ' A2G . 11.0 mttp -79.69 169.3 18.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.623 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 120.206 -1.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . 0.736 ' H8 ' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.42 -70.38 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.038 2.492 . . . . 0.0 112.004 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.66 151.71 35.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.542 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -138.95 146.01 40.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.651 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -95.24 146.17 30.83 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.447 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.03 88.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 123.014 2.476 . . . . 0.0 112.008 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 5' ' ' THR . 32.3 tp -171.88 67.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.571 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -160.21 -17.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.604 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.4 0 O-C-N 120.13 -1.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 103.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.969 2.446 . . . . 0.0 111.944 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -91.35 168.18 11.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.561 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.77 -175.79 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.629 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.99 164.37 18.8 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.51 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.41 91.16 1.07 Allowed 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.053 2.502 . . . . 0.0 112.035 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.485 ' O ' ' H8A' ' A' ' 11' ' ' A2G . 4.8 tt -170.98 135.76 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.534 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -79.69 -71.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.577 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 120.207 -1.558 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . 0.485 ' H8A' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.051 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.52 -66.03 0.17 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.998 2.465 . . . . 0.0 111.978 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.67 168.29 23.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.554 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.414 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 71.2 p -138.84 172.68 12.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.623 ' O ' ' N ' ' A' ' 7' ' ' LEU . 6.5 p -95.63 150.09 36.97 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.558 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.57 ' O ' ' C ' ' A' ' 7' ' ' LEU . 2.8 Cg_endo -44.55 77.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 123.022 2.481 . . . . 0.0 111.968 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.623 ' N ' ' O ' ' A' ' 5' ' ' THR . 32.2 tp 25.22 76.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.4 tttt 43.5 -91.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . 0.484 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.106 -1.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.414 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 162.4 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.988 2.459 . . . . 0.0 112.011 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.71 129.83 14.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.569 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.71 -166.31 1.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.538 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.44 164.83 18.87 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.559 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.43 21.19 0.47 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.053 2.502 . . . . 0.0 112.028 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mp -70.26 164.57 24.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.491 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -79.67 -11.71 59.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.552 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 120.125 -1.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 -65.4 0.2 Allowed 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.048 2.499 . . . . 0.0 112.0 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.8 p -91.36 145.48 24.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.499 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.4 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 80.6 p -138.82 167.5 21.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.597 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.42 154.74 39.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.538 ' O ' ' C ' ' A' ' 7' ' ' LEU . 2.9 Cg_endo -44.64 99.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 123.056 2.504 . . . . 0.0 111.964 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.538 ' C ' ' O ' ' A' ' 6' ' ' PRO . 1.8 tp 28.25 -143.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.572 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.478 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 37.1 mtmt -79.58 -134.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.554 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 120.111 -1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.4 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.51 -65.46 0.19 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 123.079 2.52 . . . . 0.0 111.976 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -91.27 155.89 18.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.593 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.24 -178.6 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.545 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.4 p -95.73 149.25 35.8 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.601 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 122.75 4.25 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 123.054 2.502 . . . . 0.0 111.931 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 0.8 OUTLIER -68.98 154.0 42.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.573 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.7 tttp 43.76 -90.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.581 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . 0.496 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.112 -1.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.418 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.9 Cg_endo -44.63 175.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 123.04 2.493 . . . . 0.0 111.991 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.75 130.9 15.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.574 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.78 -176.25 4.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.493 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.16 167.69 11.97 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.59 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.49 133.25 15.65 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.049 2.499 . . . . 0.0 112.012 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 7' ' ' LEU . 32.0 tp -68.9 143.98 54.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.563 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -79.67 -5.14 54.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.551 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 120.109 -1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 106.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.055 2.503 . . . . 0.0 111.968 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 t -148.67 -168.78 3.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.548 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.87 178.84 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.513 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -95.81 149.42 36.0 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.493 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.77 134.36 10.28 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.976 2.451 . . . . 0.0 111.962 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 pp -68.96 131.38 44.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.621 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -160.26 55.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.542 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.393 0 O-C-N 120.151 -1.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 -49.09 9.58 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.065 2.51 . . . . 0.0 111.972 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.415 ' H ' HG22 ' A' ' 3' ' ' THR . 0.5 OUTLIER -91.23 134.08 34.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.587 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.84 178.56 7.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.547 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.6 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -95.89 153.99 39.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.581 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 79.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 123.043 2.495 . . . . 0.0 111.996 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.6 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -172.11 168.41 5.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.609 179.781 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.3 tttp -160.32 -25.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.507 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.152 -1.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.441 ' O6 ' ' O4 ' ' A' ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 103.5 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.945 2.43 . . . . 0.0 112.066 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.2 t -91.35 160.07 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.571 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.48 -174.22 2.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.503 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.2 p -95.37 149.78 36.63 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.559 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 165.67 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.086 2.524 . . . . 0.0 111.985 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.6 126.43 29.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.559 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.25 149.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.541 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 120.214 -1.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.67 113.6 0.49 Allowed 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.971 2.447 . . . . 0.0 111.915 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 m -148.78 135.44 19.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.775 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.81 178.9 6.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.139 0.495 . . . . 0.0 110.342 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.06 153.59 39.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.258 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.517 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.9 Cg_endo -45.98 126.4 9.39 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.662 2.241 . . . . 0.0 112.07 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.998 ' H ' HD23 ' A' ' 7' ' ' LEU . 1.7 pt? -68.31 40.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.686 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.517 ' H ' ' C ' ' A' ' 6' ' ' PRO . 5.1 ptmm? -160.27 173.71 15.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.594 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.186 -1.572 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.054 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 101.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 123.039 2.492 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 t -91.27 149.06 21.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.613 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.81 178.97 6.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.592 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.04 155.26 38.46 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.591 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.544 ' O ' ' C ' ' A' ' 7' ' ' LEU . 2.8 Cg_endo -44.53 100.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 123.013 2.475 . . . . 0.0 111.984 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.544 ' C ' ' O ' ' A' ' 6' ' ' PRO . 2.6 tp 28.54 -143.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.59 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.436 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 29.0 tttp -79.74 109.95 14.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.509 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.114 -1.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 168.27 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.985 2.456 . . . . 0.0 111.985 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 62.1 p -91.18 163.95 14.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.607 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.6 p -138.87 171.69 13.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.601 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.616 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -95.4 154.02 39.45 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.592 -179.867 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 78.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.073 2.515 . . . . 0.0 112.016 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.616 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.2 tp -171.83 -159.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.504 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -160.42 173.06 16.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.596 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.076 -1.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.404 ' O6 ' ' O4 ' ' A' ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.449 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.23 0.065 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 -16.7 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.951 2.434 . . . . 0.0 111.982 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 1' ' ' ACE . 0.1 OUTLIER -91.21 137.64 32.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.609 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.27 179.15 4.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.502 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.84 154.62 39.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.569 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.544 ' O ' ' C ' ' A' ' 7' ' ' LEU . 2.8 Cg_endo -44.58 96.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 123.071 2.514 . . . . 0.0 111.962 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.544 ' C ' ' O ' ' A' ' 6' ' ' PRO . 2.0 tp 28.26 -142.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.531 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.502 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 36.6 tttt 43.76 86.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 120.146 -1.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 104.9 1.98 Allowed 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.031 2.487 . . . . 0.0 111.995 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.76 105.25 3.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.561 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.0 p -101.74 -171.6 2.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.577 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.24 167.8 12.19 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.593 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 135.35 18.04 Favored 'Trans proline' 0 C--N 1.303 -1.827 0 C-N-CA 123.049 2.5 . . . . 0.0 111.964 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.7 tp -68.8 145.09 54.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.538 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -79.66 -6.57 57.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.573 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.119 -1.613 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 128.42 8.37 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.008 2.472 . . . . 0.0 111.998 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.2 p -91.36 116.47 28.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.3 p -101.73 179.41 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.581 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.9 155.38 38.42 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.566 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.545 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.9 Cg_endo -44.64 134.9 9.84 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 123.035 2.49 . . . . 0.0 111.981 -179.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.9 16.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.57 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.552 ' CG ' ' N ' ' A' ' 9' ' ' NH2 . 2.9 ttmt -160.28 176.93 11.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . 0.552 ' N ' ' CG ' ' A' ' 8' ' ' LYS . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 120.062 -1.649 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 129.21 8.91 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 123.092 2.528 . . . . 0.0 111.988 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.6 m -148.7 108.14 3.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.571 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.5 p -138.86 169.89 16.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.572 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.37 155.29 38.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.535 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.9 Cg_endo -44.59 136.15 9.17 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 123.109 2.539 . . . . 0.0 112.01 -179.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.453 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 1.2 pp -68.97 15.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.592 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.535 ' H ' ' C ' ' A' ' 6' ' ' PRO . 3.7 tttm 77.31 36.16 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.122 -1.611 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.404 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.9 Cg_endo -44.62 173.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.045 2.497 . . . . 0.0 112.009 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -91.24 143.86 26.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.2 -176.46 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.58 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.6 p -95.86 149.93 36.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 143.58 3.96 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 123.075 2.517 . . . . 0.0 111.941 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 8' ' ' LYS . 34.6 tp -68.97 110.12 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.574 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' H ' ' HE2' ' A' ' 8' ' ' LYS . 8.3 mmpt? 43.8 -168.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.55 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.296 0 O-C-N 120.111 -1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.06 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 139.61 6.97 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.019 2.479 . . . . 0.0 111.995 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.5 p -91.34 106.84 18.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.533 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.406 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 75.1 p -138.84 173.42 11.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.54 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.0 p -95.38 149.37 36.06 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.608 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 138.63 7.72 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 123.011 2.474 . . . . 0.0 112.02 -179.539 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.597 HD12 ' H8 ' ' A' ' 11' ' ' A2G . 0.9 OUTLIER -69.02 150.11 48.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.532 -179.907 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.17 104.72 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.568 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.296 0 O-C-N 120.156 -1.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.406 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . 0.597 ' H8 ' HD12 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 109.28 0.16 Allowed 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 123.002 2.468 . . . . 0.0 112.029 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.9 p -148.56 61.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.605 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.0 p -101.46 178.98 4.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.572 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.44 154.51 39.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.497 -179.792 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.52 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.8 Cg_endo -44.5 136.79 8.66 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.062 2.508 . . . . 0.0 112.0 -179.699 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.028 ' H ' HD23 ' A' ' 7' ' ' LEU . 1.7 pt? -68.48 40.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.574 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.52 ' H ' ' C ' ' A' ' 6' ' ' PRO . 3.2 ptpt -160.48 33.13 0.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.612 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 120.122 -1.611 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 172.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 123.063 2.509 . . . . 0.0 111.907 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.5 t -148.75 156.84 42.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.525 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.428 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 76.6 p -138.82 168.04 20.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.558 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.35 155.26 38.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.629 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.548 ' O ' ' C ' ' A' ' 7' ' ' LEU . 2.8 Cg_endo -44.48 95.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 123.026 2.484 . . . . 0.0 112.058 -179.586 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.548 ' C ' ' O ' ' A' ' 6' ' ' PRO . 2.2 tp 27.88 -141.84 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.608 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 8.1 tptt -160.25 113.14 2.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.608 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 120.193 -1.567 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.428 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 -57.91 1.78 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 123.022 2.482 . . . . 0.0 112.036 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.3 166.58 12.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.562 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.422 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 28.5 p -101.6 -178.93 3.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.597 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.4 p -95.37 148.83 35.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 -179.766 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 123.07 4.4 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 123.067 2.512 . . . . 0.0 111.943 -179.48 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp -69.01 152.15 45.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 43.69 -117.11 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.621 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.413 0 O-C-N 120.16 -1.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.453 ' HO4' ' H15' ' A' ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_